data_6vhj_residue ############################ # Computer software used # ############################ save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 6vhj _Structure_validation_residue.Date_analyzed 2020-07-03 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . 0.577 ' CD2' ' HA ' ' A' ' 15' ' ' VAL . 5.0 t80 . . . . . 0 CA--C 1.521 -0.144 0 CA-C-O 120.782 0.325 . . . . 0.0 110.633 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.3 m -94.46 111.76 23.52 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.456 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.559 ' CG1' ' CZ ' ' A' ' 2' ' ' PHE . 0.9 OUTLIER -64.49 -41.92 93.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.977 179.759 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.416 ' HG2' ' C ' ' A' ' 4' ' ' VAL . 1.8 pt20 -168.15 97.32 0.43 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.57 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.626 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 179.877 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.678 0.275 . . . . 0.0 110.543 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.665 ' O ' ' CD2' ' A' ' 11' ' ' PHE . 14.0 t-20 -55.04 -84.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.441 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.648 ' HD2' ' N ' ' A' ' 10' ' ' ARG . 7.0 mmm180 61.2 49.5 5.48 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.881 0.372 . . . . 0.0 110.769 179.493 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.738 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 2.8 p90 . . . . . 0 C--N 1.326 -0.418 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.443 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.497 ' CD1' ' H ' ' A' ' 13' ' ' ILE . 0.8 OUTLIER . . . . . 0 N--CA 1.462 0.129 0 CA-C-O 120.675 0.274 . . . . 0.0 111.083 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.547 ' O ' ' HB ' ' A' ' 15' ' ' VAL . 90.5 m-20 -61.51 -40.68 95.47 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.395 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.577 ' HA ' ' CD2' ' A' ' 2' ' ' PHE . 2.4 p 159.18 4.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.728 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.738 ' SG ' ' O ' ' A' ' 11' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--O 1.219 -0.518 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.832 -179.517 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . 0.664 ' CZ ' ' CG1' ' A' ' 4' ' ' VAL . 6.6 t80 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.763 0.316 . . . . 0.0 110.622 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -127.86 129.72 47.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.505 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.664 ' CG1' ' CZ ' ' A' ' 2' ' ' PHE . 20.9 m -116.34 129.45 72.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.783 0.325 . . . . 0.0 110.573 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.494 ' CG ' ' C ' ' A' ' 4' ' ' VAL . 3.6 pt20 37.91 76.42 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.51 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.652 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.938 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.465 ' HB2' ' HG3' ' A' ' 5' ' ' GLN . . . . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.772 0.32 . . . . 0.0 110.586 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.648 ' OD1' ' CZ ' ' A' ' 11' ' ' PHE . 44.6 t30 -97.59 68.9 2.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.604 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.573 ' O ' ' CD1' ' A' ' 13' ' ' ILE . 3.5 mpt_? -68.0 -38.99 83.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.613 179.455 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.661 ' C ' ' SG ' ' A' ' 16' ' ' CYS . 31.1 p90 . . . . . 0 C--O 1.219 -0.507 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.583 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.626 ' N ' ' O ' ' A' ' 9' ' ' ASN . 49.8 mt . . . . . 0 N--CA 1.457 -0.103 0 CA-C-O 120.799 0.333 . . . . 0.0 110.244 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.523 ' HB2' ' O ' ' A' ' 13' ' ' ILE . 62.6 t30 174.67 -39.12 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.889 0.376 . . . . 0.0 110.497 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.463 ' HB ' ' O ' ' A' ' 14' ' ' ASN . 3.7 p 171.82 100.21 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.641 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.661 ' SG ' ' C ' ' A' ' 11' ' ' PHE . 1.1 m . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.565 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . 0.592 ' CZ ' HG12 ' A' ' 4' ' ' VAL . 2.6 t80 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.767 0.318 . . . . 0.0 110.596 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.438 ' N ' ' CD1' ' A' ' 2' ' ' PHE . 0.1 OUTLIER -134.03 128.82 35.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.149 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.592 HG12 ' CZ ' ' A' ' 2' ' ' PHE . 2.4 m -107.13 113.01 42.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.397 179.495 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.53 ' HB2' ' O ' ' A' ' 4' ' ' VAL . 86.5 mm-40 77.48 27.85 0.61 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.494 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.69 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.975 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.464 ' HB1' ' HB2' ' A' ' 5' ' ' GLN . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.844 0.354 . . . . 0.0 110.444 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.658 ' O ' ' CD2' ' A' ' 11' ' ' PHE . 9.1 t-20 -62.96 -80.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.523 ' O ' ' HB3' ' A' ' 11' ' ' PHE . 2.9 mpt_? 59.67 43.63 15.37 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.515 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.658 ' CD2' ' O ' ' A' ' 9' ' ' ASN . 2.1 p90 . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.7 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.497 ' HA ' ' CB ' ' A' ' 9' ' ' ASN . 1.5 mp . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.755 0.312 . . . . 0.0 110.602 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.646 ' O ' ' CG2' ' A' ' 15' ' ' VAL . 50.6 t-20 -64.22 -40.71 96.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.582 179.767 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.646 ' CG2' ' O ' ' A' ' 14' ' ' ASN . 1.5 t 162.18 93.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.278 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.656 ' SG ' ' O ' ' A' ' 11' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.667 179.61 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . 0.599 ' CZ ' HG13 ' A' ' 4' ' ' VAL . 1.7 t80 . . . . . 0 N--CA 1.456 -0.151 0 CA-C-O 120.796 0.331 . . . . 0.0 110.78 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.423 ' N ' ' CD1' ' A' ' 2' ' ' PHE . 0.1 OUTLIER -136.65 133.29 36.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.463 179.849 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.599 HG13 ' CZ ' ' A' ' 2' ' ' PHE . 4.4 m -119.88 128.02 75.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 120.884 0.373 . . . . 0.0 110.656 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 58.3 mm-40 50.91 58.33 5.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.427 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.689 0 N-CA-C 110.797 -0.921 . . . . 0.0 110.797 179.985 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.74 0.305 . . . . 0.0 110.456 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.665 ' O ' ' CD2' ' A' ' 11' ' ' PHE . 12.3 t-20 -61.75 -87.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.8 -179.666 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.545 ' HD2' ' N ' ' A' ' 10' ' ' ARG . 3.4 mpt_? 66.1 35.17 6.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.441 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.682 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 26.9 p90 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.668 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.619 ' O ' ' CB ' ' A' ' 14' ' ' ASN . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.235 0 CA-C-O 120.772 0.32 . . . . 0.0 110.542 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.619 ' CB ' ' O ' ' A' ' 13' ' ' ILE . 1.1 m120 151.91 -51.98 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.628 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.588 ' CG1' ' O ' ' A' ' 14' ' ' ASN . 0.0 OUTLIER 179.37 -14.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.628 -179.907 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.682 ' SG ' ' O ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.217 -0.612 0 CA-C-O 118.049 -0.977 . . . . 0.0 110.735 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . 0.594 ' CE2' HG13 ' A' ' 4' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.747 0.308 . . . . 0.0 110.446 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.542 ' N ' ' HD2' ' A' ' 2' ' ' PHE . 0.0 OUTLIER -134.3 127.53 31.97 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.256 179.522 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.594 HG13 ' CE2' ' A' ' 2' ' ' PHE . 19.8 m -116.57 128.92 73.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.651 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.443 ' O ' ' HB1' ' A' ' 8' ' ' ALA . 75.2 mm-40 50.05 67.58 0.89 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.69 179.271 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.694 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 179.988 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.611 ' CA ' ' NH1' ' A' ' 10' ' ' ARG . . . . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.668 0.271 . . . . 0.0 110.77 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.581 ' O ' ' CD1' ' A' ' 13' ' ' ILE . 64.2 t-20 -96.0 101.73 13.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.382 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.611 ' NH1' ' CA ' ' A' ' 8' ' ' ALA . 5.4 mmt-85 -99.48 -10.28 22.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.929 0.395 . . . . 0.0 110.906 -179.694 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.643 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 18.3 p90 . . . . . 0 C--N 1.324 -0.514 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.989 -179.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.589 ' O ' ' ND2' ' A' ' 14' ' ' ASN . 6.7 mm . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.827 0.346 . . . . 0.0 110.422 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.589 ' ND2' ' O ' ' A' ' 13' ' ' ILE . 7.4 m120 -171.04 -33.72 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.969 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.465 ' O ' HG13 ' A' ' 15' ' ' VAL . 6.7 p 173.03 99.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.454 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.643 ' SG ' ' O ' ' A' ' 11' ' ' PHE . 0.8 OUTLIER . . . . . 0 C--O 1.219 -0.5 0 CA-C-O 118.075 -0.964 . . . . 0.0 110.67 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . 0.642 ' CZ ' ' CG1' ' A' ' 4' ' ' VAL . 1.4 t80 . . . . . 0 CA--C 1.522 -0.127 0 CA-C-O 120.849 0.357 . . . . 0.0 110.762 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.56 ' N ' ' CD1' ' A' ' 2' ' ' PHE . 1.7 m -125.25 138.19 54.1 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.381 179.473 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.642 ' CG1' ' CZ ' ' A' ' 2' ' ' PHE . 0.7 OUTLIER -105.63 -9.78 10.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.666 -179.908 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.522 ' HG2' ' C ' ' A' ' 4' ' ' VAL . 8.3 pt20 165.6 88.34 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.802 179.79 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.628 0 N-CA-C 110.79 -0.924 . . . . 0.0 110.79 179.868 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.463 ' HB3' ' NH1' ' A' ' 10' ' ' ARG . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.883 0.373 . . . . 0.0 110.505 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.651 ' OD1' ' CE1' ' A' ' 11' ' ' PHE . 43.2 t30 -93.77 74.84 4.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.643 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.592 ' O ' ' CD1' ' A' ' 13' ' ' ILE . 2.0 mmt-85 -69.42 -41.11 76.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.148 0.499 . . . . 0.0 110.749 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.665 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 28.5 p90 . . . . . 0 C--N 1.325 -0.478 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.835 -179.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.592 ' CD1' ' O ' ' A' ' 10' ' ' ARG . 50.7 mt . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.781 0.324 . . . . 0.0 110.607 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.431 ' O ' ' HB ' ' A' ' 15' ' ' VAL . 0.5 OUTLIER 171.51 -41.1 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.328 -179.889 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.431 ' HB ' ' O ' ' A' ' 14' ' ' ASN . 7.7 p 175.22 103.52 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.396 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.665 ' SG ' ' O ' ' A' ' 11' ' ' PHE . 0.9 OUTLIER . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.577 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . 0.576 ' CE1' ' OXT' ' A' ' 16' ' ' CYS . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.723 0.297 . . . . 0.0 110.79 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -113.89 130.4 56.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.669 179.6 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.567 ' CG1' ' CE2' ' A' ' 2' ' ' PHE . 33.2 m -121.44 129.29 75.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.385 179.658 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.453 ' HG2' ' C ' ' A' ' 4' ' ' VAL . 18.3 mm-40 55.3 55.72 7.17 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.806 179.45 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.747 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 179.821 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.754 0.311 . . . . 0.0 110.503 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.569 ' ND2' ' O ' ' A' ' 2' ' ' PHE . 49.5 p-10 -97.77 49.43 1.03 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.342 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.529 ' O ' ' HB3' ' A' ' 11' ' ' PHE . 0.6 OUTLIER -55.79 82.72 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.236 -179.807 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.697 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 1.7 p90 . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.714 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.624 ' CD1' ' N ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.461 0.117 0 CA-C-O 120.527 0.203 . . . . 0.0 111.331 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.525 ' C ' ' CG2' ' A' ' 15' ' ' VAL . 9.6 m120 -51.86 -74.01 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.619 -179.572 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.525 ' CG2' ' C ' ' A' ' 14' ' ' ASN . 2.3 t -160.29 62.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.435 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.697 ' SG ' ' O ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 117.881 -1.057 . . . . 0.0 111.03 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . 0.585 ' CE1' HG12 ' A' ' 4' ' ' VAL . 3.2 t80 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.768 0.318 . . . . 0.0 110.648 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.446 ' N ' ' CD1' ' A' ' 2' ' ' PHE . 1.2 m -144.07 103.65 4.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.778 179.771 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.599 ' O ' ' NE2' ' A' ' 5' ' ' GLN . 0.6 OUTLIER -64.29 -43.15 97.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.583 179.711 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.599 ' NE2' ' O ' ' A' ' 4' ' ' VAL . 95.5 mm-40 -142.35 102.36 4.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.591 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.722 0 N-CA-C 110.874 -0.891 . . . . 0.0 110.874 -179.485 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.444 ' HB1' ' O ' ' A' ' 5' ' ' GLN . . . . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.824 0.345 . . . . 0.0 110.547 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.682 ' O ' ' CD2' ' A' ' 11' ' ' PHE . 9.5 m-20 -67.17 -81.98 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.609 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.571 ' HB2' ' O ' ' A' ' 9' ' ' ASN . 2.7 mpt_? 69.86 11.65 7.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.568 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.682 ' CD2' ' O ' ' A' ' 9' ' ' ASN . 37.4 p90 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.606 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.518 ' HA ' ' ND2' ' A' ' 9' ' ' ASN . 1.1 mp . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.852 0.358 . . . . 0.0 110.583 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.532 ' O ' ' OD1' ' A' ' 14' ' ' ASN . 51.9 p-10 -123.79 76.99 1.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.561 179.766 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.446 ' H ' ' HB3' ' A' ' 2' ' ' PHE . 3.3 t 41.56 71.69 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.598 -179.711 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.681 ' SG ' ' O ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.07 -0.967 . . . . 0.0 110.502 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . 0.65 ' CE1' ' CG1' ' A' ' 4' ' ' VAL . 4.9 t80 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.698 0.285 . . . . 0.0 110.568 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -100.1 131.16 46.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.635 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.65 ' CG1' ' CE1' ' A' ' 2' ' ' PHE . 24.6 m -121.33 129.43 75.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.362 179.538 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.518 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 42.4 mm-40 47.7 66.6 0.99 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.766 179.562 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.721 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.862 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' A' ' 4' ' ' VAL . . . . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.823 0.344 . . . . 0.0 110.53 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.681 ' O ' ' CD2' ' A' ' 11' ' ' PHE . 50.9 t-20 -63.67 -34.25 77.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.615 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.624 ' O ' ' CD1' ' A' ' 13' ' ' ILE . 6.8 mpt_? 33.09 -91.34 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.943 0.401 . . . . 0.0 110.845 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.681 ' CD2' ' O ' ' A' ' 9' ' ' ASN . 34.5 p90 . . . . . 0 C--N 1.324 -0.537 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.773 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.624 ' CD1' ' O ' ' A' ' 10' ' ' ARG . 10.0 mt . . . . . 0 CA--C 1.529 0.144 0 CA-C-O 120.925 0.393 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.585 ' OD1' ' N ' ' A' ' 15' ' ' VAL . 13.2 p30 176.29 -39.74 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.93 0.395 . . . . 0.0 110.711 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.585 ' N ' ' OD1' ' A' ' 14' ' ' ASN . 4.7 p 173.07 101.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.242 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.679 ' SG ' ' O ' ' A' ' 11' ' ' PHE . 0.9 OUTLIER . . . . . 0 C--O 1.221 -0.403 0 CA-C-O 117.926 -1.035 . . . . 0.0 110.794 -179.613 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . 0.654 ' CZ ' ' CG1' ' A' ' 4' ' ' VAL . 35.4 t80 . . . . . 0 CA--C 1.523 -0.076 0 CA-C-O 120.753 0.311 . . . . 0.0 110.633 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.2 m -104.74 104.06 13.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.681 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.654 ' CG1' ' CZ ' ' A' ' 2' ' ' PHE . 2.8 m -64.67 -42.33 94.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.788 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.498 ' O ' ' N ' ' A' ' 8' ' ' ALA . 0.8 OUTLIER -142.18 102.39 4.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.473 -179.6 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.693 0 N-CA-C 110.761 -0.936 . . . . 0.0 110.761 -179.999 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.498 ' N ' ' O ' ' A' ' 5' ' ' GLN . . . . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.822 0.344 . . . . 0.0 110.557 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.638 ' O ' ' CD2' ' A' ' 11' ' ' PHE . 2.3 m120 -68.45 -95.75 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.098 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.51 ' HB2' ' O ' ' A' ' 9' ' ' ASN . 3.8 mpt_? 65.17 44.08 3.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.573 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.666 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 9.8 p90 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.527 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.539 ' HA ' ' CG ' ' A' ' 9' ' ' ASN . 3.5 mp . . . . . 0 CA--C 1.518 -0.256 0 CA-C-O 120.693 0.282 . . . . 0.0 110.525 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.571 ' O ' ' HB ' ' A' ' 15' ' ' VAL . 76.0 m-20 -63.64 -41.91 98.19 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.447 179.382 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.61 ' O ' ' CG2' ' A' ' 15' ' ' VAL . 3.4 p 158.05 23.54 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-O 121.142 0.496 . . . . 0.0 110.131 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.666 ' SG ' ' O ' ' A' ' 11' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--O 1.221 -0.436 0 CA-C-O 117.963 -1.018 . . . . 0.0 111.212 -179.402 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . 0.625 ' CZ ' HG13 ' A' ' 4' ' ' VAL . 1.8 t80 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.708 0.29 . . . . 0.0 110.432 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -126.03 132.07 52.06 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.734 179.67 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.625 HG13 ' CZ ' ' A' ' 2' ' ' PHE . 11.6 m -114.83 106.91 21.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.359 179.47 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.532 ' HB2' ' O ' ' A' ' 4' ' ' VAL . 81.5 mm-40 78.6 48.57 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.806 179.516 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.75 0 N-CA-C 111.115 -0.794 . . . . 0.0 111.115 179.705 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.455 ' C ' HG22 ' A' ' 4' ' ' VAL . . . . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.692 0.282 . . . . 0.0 110.548 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.731 ' O ' ' CD2' ' A' ' 11' ' ' PHE . 28.2 m-20 -63.61 -71.31 0.17 Allowed 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.892 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.627 ' HB2' ' O ' ' A' ' 9' ' ' ASN . 3.2 mpt_? 76.01 -24.65 0.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.691 -179.259 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.731 ' CD2' ' O ' ' A' ' 9' ' ' ASN . 23.0 p90 . . . . . 0 N--CA 1.464 0.243 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.907 179.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.574 HD12 ' N ' ' A' ' 10' ' ' ARG . 8.3 mm . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 120.774 0.321 . . . . 0.0 110.416 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.599 ' C ' ' CG2' ' A' ' 15' ' ' VAL . 64.0 t30 173.93 -39.5 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.45 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.599 ' CG2' ' C ' ' A' ' 14' ' ' ASN . 0.0 OUTLIER 168.38 89.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.396 -179.937 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.653 ' SG ' ' O ' ' A' ' 11' ' ' PHE . 0.8 OUTLIER . . . . . 0 C--O 1.221 -0.421 0 CA-C-O 117.93 -1.033 . . . . 0.0 110.662 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . 0.608 ' O ' ' C ' ' A' ' 3' ' ' CYS . 35.7 t80 . . . . . 0 CA--C 1.521 -0.135 0 CA-C-O 120.7 0.286 . . . . 0.0 110.594 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.608 ' C ' ' O ' ' A' ' 2' ' ' PHE . 1.3 m -17.01 106.09 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.044 -179.219 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.531 HG13 ' CZ ' ' A' ' 2' ' ' PHE . 3.6 m -64.33 -41.9 93.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.016 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.469 ' HB2' ' CB ' ' A' ' 8' ' ' ALA . 3.5 mt-30 -138.62 84.58 2.03 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.866 -0.334 . . . . 0.0 110.422 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.577 0 N-CA-C 110.412 -1.075 . . . . 0.0 110.412 -179.895 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.469 ' CB ' ' HB2' ' A' ' 5' ' ' GLN . . . . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.521 0.2 . . . . 0.0 111.1 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.645 ' CB ' ' CZ ' ' A' ' 11' ' ' PHE . 0.6 OUTLIER -129.61 107.09 9.18 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.556 -0.458 . . . . 0.0 111.096 179.799 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.588 ' O ' ' CD1' ' A' ' 13' ' ' ILE . 10.2 mpt_? -65.2 -39.16 92.45 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.653 179.575 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.645 ' CZ ' ' CB ' ' A' ' 9' ' ' ASN . 35.0 p90 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.115 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.612 ' N ' ' O ' ' A' ' 9' ' ' ASN . 2.0 mp . . . . . 0 CA--C 1.527 0.061 0 CA-C-O 120.769 0.319 . . . . 0.0 110.193 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.573 ' O ' ' CB ' ' A' ' 15' ' ' VAL . 53.1 p-10 -125.32 -24.0 4.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.183 179.365 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.573 ' CB ' ' O ' ' A' ' 14' ' ' ASN . 2.1 p 154.35 97.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.232 0.161 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.726 179.74 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.645 ' SG ' ' O ' ' A' ' 11' ' ' PHE . 1.0 OUTLIER . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.654 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . 0.661 ' O ' ' C ' ' A' ' 3' ' ' CYS . 0.8 OUTLIER . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.732 0.301 . . . . 0.0 110.238 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.661 ' C ' ' O ' ' A' ' 2' ' ' PHE . 0.8 OUTLIER 0.98 93.65 0.01 OUTLIER 'General case' 0 C--O 1.232 0.181 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.799 -179.117 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.603 ' O ' ' NE2' ' A' ' 5' ' ' GLN . 31.2 m -61.47 -45.28 98.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 -179.224 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.603 ' NE2' ' O ' ' A' ' 4' ' ' VAL . 70.5 mm-40 -144.29 112.03 6.17 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.659 -0.416 . . . . 0.0 110.799 -179.625 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 5' ' ' GLN . . . . . . . . 0 CA--C 1.526 0.746 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.481 ' N ' ' O ' ' A' ' 5' ' ' GLN . . . . . . . . 0 CA--C 1.528 0.129 0 CA-C-O 120.767 0.318 . . . . 0.0 110.736 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.641 ' OD1' ' CD1' ' A' ' 11' ' ' PHE . 39.2 t-20 -33.63 -84.09 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.604 -179.636 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.504 ' O ' ' HB3' ' A' ' 11' ' ' PHE . 9.0 mpt_? 61.53 50.81 4.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.002 0.43 . . . . 0.0 110.797 179.445 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.645 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 2.0 p90 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.624 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.569 ' CD1' ' N ' ' A' ' 13' ' ' ILE . 1.1 mm . . . . . 0 N--CA 1.454 -0.26 0 CA-C-O 120.759 0.314 . . . . 0.0 110.349 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.545 ' O ' ' CB ' ' A' ' 15' ' ' VAL . 88.2 m-20 -64.53 -41.17 96.55 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.44 179.244 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.545 ' CB ' ' O ' ' A' ' 14' ' ' ASN . 2.3 p 155.34 65.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.226 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.645 ' SG ' ' O ' ' A' ' 11' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--O 1.22 -0.452 0 CA-C-O 118.019 -0.991 . . . . 0.0 111.089 -179.717 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . 0.64 ' O ' ' C ' ' A' ' 3' ' ' CYS . 32.5 t80 . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 120.48 0.181 . . . . 0.0 110.605 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.64 ' C ' ' O ' ' A' ' 2' ' ' PHE . 1.7 m -5.5 105.96 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.517 -179.633 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.47 HG21 ' HB3' ' A' ' 9' ' ' ASN . 11.1 m -64.99 -41.05 91.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.467 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.404 ' N ' HG23 ' A' ' 4' ' ' VAL . 2.8 pt20 -161.59 101.87 1.19 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.593 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.617 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 179.979 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.791 0.329 . . . . 0.0 110.641 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.606 ' O ' ' N ' ' A' ' 13' ' ' ILE . 48.4 p-10 -106.12 98.06 7.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.772 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.607 ' O ' ' CD1' ' A' ' 13' ' ' ILE . 10.0 mmt85 -66.02 -39.66 90.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.38 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.665 ' C ' ' SG ' ' A' ' 16' ' ' CYS . 13.8 p90 . . . . . 0 C--O 1.219 -0.538 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.533 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.607 ' CD1' ' O ' ' A' ' 10' ' ' ARG . 1.3 mp . . . . . 0 N--CA 1.454 -0.248 0 CA-C-O 120.998 0.428 . . . . 0.0 110.315 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.516 ' O ' HG11 ' A' ' 15' ' ' VAL . 0.0 OUTLIER 162.05 -15.99 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.46 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.638 ' O ' ' C ' ' A' ' 16' ' ' CYS . 23.8 m -147.02 -121.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.468 -179.648 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.665 ' SG ' ' C ' ' A' ' 11' ' ' PHE . 0.7 OUTLIER . . . . . 0 C--O 1.214 -0.771 0 CA-C-O 118.02 -0.991 . . . . 0.0 110.846 179.8 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . 0.653 ' CD2' ' ND2' ' A' ' 9' ' ' ASN . 3.2 t80 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.865 0.364 . . . . 0.0 110.544 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -103.16 132.72 49.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.769 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.629 ' CG1' ' CE1' ' A' ' 2' ' ' PHE . 21.8 m -118.54 128.63 75.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.279 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.519 ' O ' ' HB2' ' A' ' 8' ' ' ALA . 0.9 OUTLIER 39.13 70.96 0.18 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.76 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.423 ' O ' ' N ' ' A' ' 8' ' ' ALA . . . . . . . . 0 CA--C 1.524 0.64 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.519 ' HB2' ' O ' ' A' ' 5' ' ' GLN . . . . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.82 0.343 . . . . 0.0 110.486 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.653 ' ND2' ' CD2' ' A' ' 2' ' ' PHE . 57.6 t30 -88.05 108.88 19.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.562 -179.737 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.521 ' HD2' ' O ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -121.08 15.92 11.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.375 179.836 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.756 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 16.3 p90 . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.045 -179.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.588 ' CD1' ' O ' ' A' ' 9' ' ' ASN . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.819 0.343 . . . . 0.0 110.593 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.557 ' O ' ' OD1' ' A' ' 14' ' ' ASN . 24.8 t-20 -103.76 40.69 1.39 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.453 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.578 ' HA ' ' CD2' ' A' ' 2' ' ' PHE . 8.1 t 69.72 62.6 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.355 -179.794 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.756 ' SG ' ' O ' ' A' ' 11' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 118.007 -0.997 . . . . 0.0 110.732 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . 0.605 ' CZ ' ' CG1' ' A' ' 4' ' ' VAL . 7.5 t80 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.818 0.342 . . . . 0.0 110.654 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.3 m -135.22 108.36 7.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.741 179.515 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.605 ' CG1' ' CZ ' ' A' ' 2' ' ' PHE . 1.6 m -64.7 -41.32 91.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.086 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -167.38 98.04 0.5 Allowed 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.693 -0.403 . . . . 0.0 111.03 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.639 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 179.595 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.722 0.296 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.557 ' OD1' ' CD2' ' A' ' 11' ' ' PHE . 63.7 t-20 -83.61 102.77 12.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.947 0.403 . . . . 0.0 110.676 -179.482 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -100.25 7.08 44.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.316 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.644 ' CD2' ' N ' ' A' ' 11' ' ' PHE . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.098 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.581 ' O ' ' ND2' ' A' ' 14' ' ' ASN . 1.5 mt . . . . . 0 N--CA 1.451 -0.408 0 CA-C-O 120.884 0.373 . . . . 0.0 110.369 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.581 ' ND2' ' O ' ' A' ' 13' ' ' ILE . 7.5 m120 -168.81 -34.74 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.343 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.581 ' CG2' ' N ' ' A' ' 16' ' ' CYS . 0.7 OUTLIER -164.71 -87.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.016 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.581 ' N ' ' CG2' ' A' ' 15' ' ' VAL . 1.2 m . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.942 -1.027 . . . . 0.0 110.447 -179.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . 0.675 ' CE2' ' ND2' ' A' ' 9' ' ' ASN . 5.6 t80 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.872 0.367 . . . . 0.0 110.621 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.1 m -139.25 102.25 4.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.834 179.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.595 HG13 ' CE1' ' A' ' 2' ' ' PHE . 1.1 m -64.42 -44.97 97.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.721 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.585 ' NE2' ' O ' ' A' ' 4' ' ' VAL . 86.1 mm-40 -142.86 107.45 4.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.196 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.638 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.997 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.511 ' N ' ' O ' ' A' ' 5' ' ' GLN . . . . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.744 0.307 . . . . 0.0 110.46 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.675 ' ND2' ' CE2' ' A' ' 2' ' ' PHE . 53.7 t-20 -87.93 101.16 13.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.7 -179.584 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.548 ' HD2' ' N ' ' A' ' 10' ' ' ARG . 2.6 mmm-85 -106.19 38.65 1.98 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.917 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.823 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 16.0 p90 . . . . . 0 CA--C 1.51 -0.568 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.185 -179.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.509 HG13 ' O ' ' A' ' 9' ' ' ASN . 0.5 OUTLIER . . . . . 0 N--CA 1.455 -0.176 0 CA-C-O 120.827 0.346 . . . . 0.0 110.885 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.559 ' O ' ' HB ' ' A' ' 15' ' ' VAL . 99.1 m-20 -63.0 -40.62 98.34 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.522 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.592 ' O ' ' CG2' ' A' ' 15' ' ' VAL . 2.6 p 157.67 9.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.493 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.823 ' SG ' ' O ' ' A' ' 11' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 118.128 -0.939 . . . . 0.0 110.954 -179.711 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . 0.594 ' CZ ' HG13 ' A' ' 4' ' ' VAL . 7.4 t80 . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.88 0.371 . . . . 0.0 110.594 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -122.42 134.4 54.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.603 179.752 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.594 HG13 ' CZ ' ' A' ' 2' ' ' PHE . 13.2 m -118.7 130.28 73.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.267 179.625 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.512 ' HG3' ' O ' ' A' ' 4' ' ' VAL . 2.6 pt20 38.04 71.9 0.14 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.755 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.676 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 179.79 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.504 ' HB3' ' O ' ' A' ' 5' ' ' GLN . . . . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.71 0.291 . . . . 0.0 110.778 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.672 ' O ' ' CD2' ' A' ' 11' ' ' PHE . 2.2 t-20 -73.61 -84.79 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.239 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.578 ' HD2' ' N ' ' A' ' 10' ' ' ARG . 2.0 mpt_? 59.88 45.2 12.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.979 0.418 . . . . 0.0 111.178 179.081 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.714 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 5.9 p90 . . . . . 0 C--N 1.327 -0.412 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.152 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.55 ' CD1' ' HB3' ' A' ' 9' ' ' ASN . 1.5 mm . . . . . 0 N--CA 1.461 0.102 0 CA-C-O 120.561 0.22 . . . . 0.0 111.25 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.569 ' C ' ' CG2' ' A' ' 15' ' ' VAL . 55.1 t30 -63.59 -40.78 97.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.813 0.339 . . . . 0.0 110.755 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.569 ' CG2' ' C ' ' A' ' 14' ' ' ASN . 0.0 OUTLIER 171.93 -49.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.988 0.423 . . . . 0.0 110.162 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.714 ' SG ' ' O ' ' A' ' 11' ' ' PHE . 1.2 m . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.874 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . 0.672 ' CD2' ' ND2' ' A' ' 9' ' ' ASN . 5.6 t80 . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.807 0.336 . . . . 0.0 110.543 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.584 ' C ' ' O ' ' A' ' 2' ' ' PHE . 0.8 OUTLIER -24.58 98.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.142 -179.503 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.594 HG12 ' CE1' ' A' ' 2' ' ' PHE . 11.5 m -63.45 -44.66 98.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.597 -179.302 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.48 ' N ' HG22 ' A' ' 4' ' ' VAL . 1.6 pt20 -153.36 112.51 3.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.536 -179.704 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.664 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 -179.998 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.799 0.333 . . . . 0.0 110.526 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.672 ' ND2' ' CD2' ' A' ' 2' ' ' PHE . 80.2 m-20 -56.37 -86.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.568 -179.551 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.585 ' O ' ' HB3' ' A' ' 11' ' ' PHE . 3.4 mpt_? 62.54 50.32 3.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.557 -179.571 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.625 ' CD1' ' C ' ' A' ' 11' ' ' PHE . 2.2 p90 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.564 -178.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.542 ' CD1' ' N ' ' A' ' 13' ' ' ILE . 1.6 mm . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.827 0.346 . . . . 0.0 110.551 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.584 ' O ' ' CB ' ' A' ' 15' ' ' VAL . 65.3 t30 70.8 33.71 2.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.545 -179.338 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.6 ' O ' ' CB ' ' A' ' 16' ' ' CYS . 3.8 t 87.82 112.07 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.485 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.65 ' OXT' ' SG ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.221 -0.432 0 CA-C-O 117.999 -1.0 . . . . 0.0 110.515 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . 0.59 ' CZ ' ' CG1' ' A' ' 4' ' ' VAL . 13.4 t80 . . . . . 0 N--CA 1.457 -0.115 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.541 ' C ' ' CG2' ' A' ' 4' ' ' VAL . 0.1 OUTLIER -132.88 29.59 4.1 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.003 179.86 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.59 ' CG1' ' CZ ' ' A' ' 2' ' ' PHE . 0.9 OUTLIER 40.07 -104.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 C-N-CA 120.434 -0.507 . . . . 0.0 110.273 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.441 ' H ' HG21 ' A' ' 4' ' ' VAL . 82.6 mm-40 -86.08 -72.78 0.48 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.72 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.68 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.857 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.174 0 CA-C-O 120.848 0.356 . . . . 0.0 110.106 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.657 ' O ' ' CD2' ' A' ' 11' ' ' PHE . 3.0 m120 -54.1 -88.45 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.454 -179.515 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.517 ' HD2' ' N ' ' A' ' 10' ' ' ARG . 9.3 mpt_? 61.1 44.14 10.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.857 0.361 . . . . 0.0 111.287 179.431 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.706 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 3.3 p90 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.875 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.543 ' HA ' ' ND2' ' A' ' 9' ' ' ASN . 1.3 mp . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.922 0.392 . . . . 0.0 110.584 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.524 ' O ' HG13 ' A' ' 15' ' ' VAL . 60.9 t-20 59.09 38.49 23.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.295 -179.48 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.568 ' N ' ' HB3' ' A' ' 2' ' ' PHE . 0.4 OUTLIER 83.6 121.81 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.106 -179.911 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.706 ' SG ' ' O ' ' A' ' 11' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 118.024 -0.989 . . . . 0.0 110.78 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 93.3 t80 . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.577 ' CD2' ' HA ' ' A' ' 15' ' ' VAL . 5.0 t80 -91.41 86.21 6.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.633 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.416 ' HA ' ' HB2' ' A' ' 7' ' ' DBB . 1.3 m -94.46 111.76 23.52 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.456 179.631 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.559 ' CG1' ' CZ ' ' A' ' 2' ' ' PHE . 0.9 OUTLIER -64.49 -41.92 93.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.977 179.759 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.416 ' HG2' ' C ' ' A' ' 4' ' ' VAL . 1.8 pt20 -168.15 97.32 0.43 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.57 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 68.64 23.45 75.46 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' DBB . . . . . 0.443 ' HG3' ' HB2' ' A' ' 9' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -106.62 27.1 9.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.543 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.665 ' O ' ' CD2' ' A' ' 11' ' ' PHE . 14.0 t-20 -55.04 -84.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.441 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.648 ' HD2' ' N ' ' A' ' 10' ' ' ARG . 7.0 mmm180 61.2 49.5 5.48 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.881 0.372 . . . . 0.0 110.769 179.493 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.738 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 2.8 p90 171.47 -16.06 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.443 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' DBB . . . . . 0.569 ' N ' ' OD1' ' A' ' 9' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.497 ' CD1' ' H ' ' A' ' 13' ' ' ILE . 0.8 OUTLIER -35.76 -46.93 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.083 -179.025 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.547 ' O ' ' HB ' ' A' ' 15' ' ' VAL . 90.5 m-20 -61.51 -40.68 95.47 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.395 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.577 ' HA ' ' CD2' ' A' ' 2' ' ' PHE . 2.4 p 159.18 4.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.728 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.738 ' SG ' ' O ' ' A' ' 11' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--O 1.219 -0.518 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.832 -179.517 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.664 ' CZ ' ' CG1' ' A' ' 4' ' ' VAL . 6.6 t80 -112.88 114.38 26.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.622 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.478 ' HA ' ' CG ' ' A' ' 7' ' ' DBB . 0.0 OUTLIER -127.86 129.72 47.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.505 179.765 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.664 ' CG1' ' CZ ' ' A' ' 2' ' ' PHE . 20.9 m -116.34 129.45 72.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.783 0.325 . . . . 0.0 110.573 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.494 ' CG ' ' C ' ' A' ' 4' ' ' VAL . 3.6 pt20 37.91 76.42 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.51 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.595 ' O ' ' C ' ' A' ' 7' ' ' DBB . . . 58.99 73.23 0.49 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' DBB . . . . . 0.595 ' C ' ' O ' ' A' ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.465 ' HB2' ' HG3' ' A' ' 5' ' ' GLN . . . -118.79 28.62 8.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.586 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.648 ' OD1' ' CZ ' ' A' ' 11' ' ' PHE . 44.6 t30 -97.59 68.9 2.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.604 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.573 ' O ' ' CD1' ' A' ' 13' ' ' ILE . 3.5 mpt_? -68.0 -38.99 83.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.613 179.455 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.79 ' O ' ' CG ' ' A' ' 12' ' ' DBB . 31.1 p90 -63.84 -55.52 22.27 Favored 'General case' 0 C--O 1.219 -0.507 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.583 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' DBB . . . . . 0.79 ' CG ' ' O ' ' A' ' 11' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.626 ' N ' ' O ' ' A' ' 9' ' ' ASN . 49.8 mt 48.63 11.3 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.244 -178.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.623 ' H ' ' C ' ' A' ' 12' ' ' DBB . 62.6 t30 174.67 -39.12 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.889 0.376 . . . . 0.0 110.497 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.463 ' HB ' ' O ' ' A' ' 14' ' ' ASN . 3.7 p 171.82 100.21 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.641 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.661 ' SG ' ' C ' ' A' ' 11' ' ' PHE . 1.1 m . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.565 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 . . . . . 0 N--CA 1.49 1.525 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.592 ' CZ ' HG12 ' A' ' 4' ' ' VAL . 2.6 t80 -105.02 118.4 36.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.596 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.438 ' N ' ' CD1' ' A' ' 2' ' ' PHE . 0.1 OUTLIER -134.03 128.82 35.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.149 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.592 HG12 ' CZ ' ' A' ' 2' ' ' PHE . 2.4 m -107.13 113.01 42.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.397 179.495 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.53 ' HB2' ' O ' ' A' ' 4' ' ' VAL . 86.5 mm-40 77.48 27.85 0.61 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.494 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 100.43 -18.99 54.52 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' DBB . . . . . 0.468 ' HB2' ' N ' ' A' ' 4' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.464 ' HB1' ' HB2' ' A' ' 5' ' ' GLN . . . -112.51 41.02 2.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.444 179.776 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.684 ' ND2' ' C ' ' A' ' 12' ' ' DBB . 9.1 t-20 -62.96 -80.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.523 ' O ' ' HB3' ' A' ' 11' ' ' PHE . 2.9 mpt_? 59.67 43.63 15.37 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.515 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.658 ' CD2' ' O ' ' A' ' 9' ' ' ASN . 2.1 p90 172.04 4.97 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.7 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' DBB . . . . . 0.684 ' C ' ' ND2' ' A' ' 9' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.497 ' HA ' ' CB ' ' A' ' 9' ' ' ASN . 1.5 mp -32.16 -65.45 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.602 -178.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.646 ' O ' ' CG2' ' A' ' 15' ' ' VAL . 50.6 t-20 -64.22 -40.71 96.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.582 179.767 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.646 ' CG2' ' O ' ' A' ' 14' ' ' ASN . 1.5 t 162.18 93.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.278 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.656 ' SG ' ' O ' ' A' ' 11' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.667 179.61 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.722 ' CE1' ' SG ' ' A' ' 3' ' ' CYS . 31.0 p90 . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.599 ' CZ ' HG13 ' A' ' 4' ' ' VAL . 1.7 t80 -87.72 115.78 25.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.78 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.722 ' SG ' ' CE1' ' A' ' 1' ' ' PHE . 0.1 OUTLIER -136.65 133.29 36.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.463 179.849 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.599 HG13 ' CZ ' ' A' ' 2' ' ' PHE . 4.4 m -119.88 128.02 75.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 120.884 0.373 . . . . 0.0 110.656 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 58.3 mm-40 50.91 58.33 5.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.427 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 7' ' ' DBB . . . 64.9 67.66 1.95 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.797 -0.921 . . . . 0.0 110.797 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' DBB . . . . . 0.452 ' HB2' ' H ' ' A' ' 4' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -122.62 39.11 4.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.456 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.688 ' ND2' ' C ' ' A' ' 12' ' ' DBB . 12.3 t-20 -61.75 -87.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.8 -179.666 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.545 ' HD2' ' N ' ' A' ' 10' ' ' ARG . 3.4 mpt_? 66.1 35.17 6.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.441 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.682 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 26.9 p90 -173.45 -12.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.668 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' DBB . . . . . 0.688 ' C ' ' ND2' ' A' ' 9' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.619 ' O ' ' CB ' ' A' ' 14' ' ' ASN . 0.8 OUTLIER -47.31 82.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.542 -179.638 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.619 ' CB ' ' O ' ' A' ' 13' ' ' ILE . 1.1 m120 151.91 -51.98 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.628 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.588 ' CG1' ' O ' ' A' ' 14' ' ' ASN . 0.0 OUTLIER 179.37 -14.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.628 -179.907 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.682 ' SG ' ' O ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.217 -0.612 0 CA-C-O 118.049 -0.977 . . . . 0.0 110.735 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 55.6 p90 . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.594 ' CE2' HG13 ' A' ' 4' ' ' VAL . 0.9 OUTLIER -103.29 114.12 28.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.446 179.854 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.542 ' N ' ' HD2' ' A' ' 2' ' ' PHE . 0.0 OUTLIER -134.3 127.53 31.97 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.256 179.522 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.594 HG13 ' CE2' ' A' ' 2' ' ' PHE . 19.8 m -116.57 128.92 73.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.651 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.443 ' O ' ' HB1' ' A' ' 8' ' ' ALA . 75.2 mm-40 50.05 67.58 0.89 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.69 179.271 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 57.97 59.69 10.34 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' DBB . . . . . 0.526 ' HB2' ' N ' ' A' ' 4' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.611 ' CA ' ' NH1' ' A' ' 10' ' ' ARG . . . -117.21 30.04 7.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.77 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.581 ' O ' ' CD1' ' A' ' 13' ' ' ILE . 64.2 t-20 -96.0 101.73 13.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.382 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.611 ' NH1' ' CA ' ' A' ' 8' ' ' ALA . 5.4 mmt-85 -99.48 -10.28 22.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.929 0.395 . . . . 0.0 110.906 -179.694 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.67 ' O ' ' CG ' ' A' ' 12' ' ' DBB . 18.3 p90 -91.44 -51.94 5.03 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.989 -179.531 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' DBB . . . . . 0.67 ' CG ' ' O ' ' A' ' 11' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.589 ' O ' ' ND2' ' A' ' 14' ' ' ASN . 6.7 mm 65.94 -7.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.422 -179.237 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.644 ' H ' ' C ' ' A' ' 12' ' ' DBB . 7.4 m120 -171.04 -33.72 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.969 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.465 ' O ' HG13 ' A' ' 15' ' ' VAL . 6.7 p 173.03 99.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.454 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.643 ' SG ' ' O ' ' A' ' 11' ' ' PHE . 0.8 OUTLIER . . . . . 0 C--O 1.219 -0.5 0 CA-C-O 118.075 -0.964 . . . . 0.0 110.67 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.532 ' O ' ' CD2' ' A' ' 1' ' ' PHE . 75.2 t80 . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.642 ' CZ ' ' CG1' ' A' ' 4' ' ' VAL . 1.4 t80 -111.82 122.55 48.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.762 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.56 ' N ' ' CD1' ' A' ' 2' ' ' PHE . 1.7 m -125.25 138.19 54.1 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.381 179.473 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.642 ' CG1' ' CZ ' ' A' ' 2' ' ' PHE . 0.7 OUTLIER -105.63 -9.78 10.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.666 -179.908 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.522 ' HG2' ' C ' ' A' ' 4' ' ' VAL . 8.3 pt20 165.6 88.34 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.802 179.79 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 73.84 20.52 79.75 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.79 -0.924 . . . . 0.0 110.79 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' DBB . . . . . 0.402 ' HB2' ' HA ' ' A' ' 3' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.463 ' HB3' ' NH1' ' A' ' 10' ' ' ARG . . . -104.25 30.42 5.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.505 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.651 ' OD1' ' CE1' ' A' ' 11' ' ' PHE . 43.2 t30 -93.77 74.84 4.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.643 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.592 ' O ' ' CD1' ' A' ' 13' ' ' ILE . 2.0 mmt-85 -69.42 -41.11 76.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.148 0.499 . . . . 0.0 110.749 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.665 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 28.5 p90 -63.39 -52.75 60.32 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.835 -179.377 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' DBB . . . . . 0.658 ' CG ' ' O ' ' A' ' 11' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.592 ' CD1' ' O ' ' A' ' 10' ' ' ARG . 50.7 mt 46.46 15.18 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.607 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.588 ' H ' ' C ' ' A' ' 12' ' ' DBB . 0.5 OUTLIER 171.51 -41.1 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.328 -179.889 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.493 ' C ' ' HB2' ' A' ' 12' ' ' DBB . 7.7 p 175.22 103.52 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.396 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.665 ' SG ' ' O ' ' A' ' 11' ' ' PHE . 0.9 OUTLIER . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.577 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.445 ' CG ' ' O ' ' A' ' 1' ' ' PHE . 88.8 t80 . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.576 ' CE1' ' OXT' ' A' ' 16' ' ' CYS . 0.9 OUTLIER -115.64 89.46 3.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.79 -179.935 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -113.89 130.4 56.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.669 179.6 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.567 ' CG1' ' CE2' ' A' ' 2' ' ' PHE . 33.2 m -121.44 129.29 75.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.385 179.658 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.453 ' HG2' ' C ' ' A' ' 4' ' ' VAL . 18.3 mm-40 55.3 55.72 7.17 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.806 179.45 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 64.89 62.75 4.72 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' DBB . . . . . 0.569 ' CG ' ' N ' ' A' ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.569 ' N ' ' CG ' ' A' ' 7' ' ' DBB . . . -171.55 46.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.503 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.569 ' ND2' ' O ' ' A' ' 2' ' ' PHE . 49.5 p-10 -97.77 49.43 1.03 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.342 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.529 ' O ' ' HB3' ' A' ' 11' ' ' PHE . 0.6 OUTLIER -55.79 82.72 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.236 -179.807 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.697 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 1.7 p90 164.47 2.58 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.714 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' DBB . . . . . 0.599 ' O ' ' N ' ' A' ' 14' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.624 ' CD1' ' N ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER 45.47 -81.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.331 179.745 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.599 ' N ' ' O ' ' A' ' 12' ' ' DBB . 9.6 m120 -51.86 -74.01 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.619 -179.572 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.525 ' CG2' ' C ' ' A' ' 14' ' ' ASN . 2.3 t -160.29 62.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.435 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.697 ' SG ' ' O ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 117.881 -1.057 . . . . 0.0 111.03 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.552 ' CD1' ' O ' ' A' ' 1' ' ' PHE . 52.8 p90 . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.585 ' CE1' HG12 ' A' ' 4' ' ' VAL . 3.2 t80 -114.95 122.79 47.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.648 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.446 ' N ' ' CD1' ' A' ' 2' ' ' PHE . 1.2 m -144.07 103.65 4.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.778 179.771 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.599 ' O ' ' NE2' ' A' ' 5' ' ' GLN . 0.6 OUTLIER -64.29 -43.15 97.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.583 179.711 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.599 ' NE2' ' O ' ' A' ' 4' ' ' VAL . 95.5 mm-40 -142.35 102.36 4.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.591 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 41.11 18.92 0.02 OUTLIER Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.874 -0.891 . . . . 0.0 110.874 -179.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' DBB . . . . . 0.567 ' N ' ' O ' ' A' ' 5' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.444 ' HB1' ' O ' ' A' ' 5' ' ' GLN . . . -108.28 43.57 1.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.547 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.682 ' O ' ' CD2' ' A' ' 11' ' ' PHE . 9.5 m-20 -67.17 -81.98 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.609 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.571 ' HB2' ' O ' ' A' ' 9' ' ' ASN . 2.7 mpt_? 69.86 11.65 7.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.568 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.682 ' CD2' ' O ' ' A' ' 9' ' ' ASN . 37.4 p90 -151.29 -16.13 0.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.606 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' DBB . . . . . 0.609 ' CG ' ' C ' ' A' ' 11' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.518 ' HA ' ' ND2' ' A' ' 9' ' ' ASN . 1.1 mp -42.69 -24.12 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.583 -179.591 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.532 ' O ' ' OD1' ' A' ' 14' ' ' ASN . 51.9 p-10 -123.79 76.99 1.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.561 179.766 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.446 ' H ' ' HB3' ' A' ' 2' ' ' PHE . 3.3 t 41.56 71.69 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.598 -179.711 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.681 ' SG ' ' O ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.07 -0.967 . . . . 0.0 110.502 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 87.3 t80 . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.65 ' CE1' ' CG1' ' A' ' 4' ' ' VAL . 4.9 t80 -126.65 88.3 2.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.568 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -100.1 131.16 46.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.635 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.65 ' CG1' ' CE1' ' A' ' 2' ' ' PHE . 24.6 m -121.33 129.43 75.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.362 179.538 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.518 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 42.4 mm-40 47.7 66.6 0.99 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.766 179.562 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.471 ' O ' ' C ' ' A' ' 7' ' ' DBB . . . 60.83 67.88 1.93 Allowed Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' DBB . . . . . 0.471 ' C ' ' O ' ' A' ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' A' ' 4' ' ' VAL . . . -105.9 16.71 24.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.53 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.681 ' O ' ' CD2' ' A' ' 11' ' ' PHE . 50.9 t-20 -63.67 -34.25 77.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.615 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.624 ' O ' ' CD1' ' A' ' 13' ' ' ILE . 6.8 mpt_? 33.09 -91.34 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.943 0.401 . . . . 0.0 110.845 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.681 ' CD2' ' O ' ' A' ' 9' ' ' ASN . 34.5 p90 -33.87 -51.29 0.4 Allowed 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.773 -179.801 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' DBB . . . . . 0.656 ' N ' ' CD1' ' A' ' 11' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.624 ' CD1' ' O ' ' A' ' 10' ' ' ARG . 10.0 mt 49.6 10.7 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.905 -179.167 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.601 ' H ' ' C ' ' A' ' 12' ' ' DBB . 13.2 p30 176.29 -39.74 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.93 0.395 . . . . 0.0 110.711 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.585 ' N ' ' OD1' ' A' ' 14' ' ' ASN . 4.7 p 173.07 101.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.242 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.679 ' SG ' ' O ' ' A' ' 11' ' ' PHE . 0.9 OUTLIER . . . . . 0 C--O 1.221 -0.403 0 CA-C-O 117.926 -1.035 . . . . 0.0 110.794 -179.613 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 42.5 t80 . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.654 ' CZ ' ' CG1' ' A' ' 4' ' ' VAL . 35.4 t80 -118.07 86.6 2.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.633 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.2 m -104.74 104.06 13.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.681 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.654 ' CG1' ' CZ ' ' A' ' 2' ' ' PHE . 2.8 m -64.67 -42.33 94.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.788 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.582 ' O ' ' N ' ' A' ' 7' ' ' DBB . 0.8 OUTLIER -142.18 102.39 4.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.473 -179.6 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 39.85 20.33 0.02 OUTLIER Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.761 -0.936 . . . . 0.0 110.761 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' DBB . . . . . 0.582 ' N ' ' O ' ' A' ' 5' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.498 ' N ' ' O ' ' A' ' 5' ' ' GLN . . . -100.28 38.29 1.52 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.557 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.661 ' ND2' ' O ' ' A' ' 12' ' ' DBB . 2.3 m120 -68.45 -95.75 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.098 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.51 ' HB2' ' O ' ' A' ' 9' ' ' ASN . 3.8 mpt_? 65.17 44.08 3.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.573 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.666 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 9.8 p90 172.06 -4.62 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.527 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' DBB . . . . . 0.661 ' O ' ' ND2' ' A' ' 9' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.539 ' HA ' ' CG ' ' A' ' 9' ' ' ASN . 3.5 mp -52.34 -47.58 45.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.525 -177.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.571 ' O ' ' HB ' ' A' ' 15' ' ' VAL . 76.0 m-20 -63.64 -41.91 98.19 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.447 179.382 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.61 ' O ' ' CG2' ' A' ' 15' ' ' VAL . 3.4 p 158.05 23.54 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-O 121.142 0.496 . . . . 0.0 110.131 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.666 ' SG ' ' O ' ' A' ' 11' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--O 1.221 -0.436 0 CA-C-O 117.963 -1.018 . . . . 0.0 111.212 -179.402 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 10.0 t80 . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.625 ' CZ ' HG13 ' A' ' 4' ' ' VAL . 1.8 t80 -111.39 111.55 22.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.432 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -126.03 132.07 52.06 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.734 179.67 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.625 HG13 ' CZ ' ' A' ' 2' ' ' PHE . 11.6 m -114.83 106.91 21.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.359 179.47 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.532 ' HB2' ' O ' ' A' ' 4' ' ' VAL . 81.5 mm-40 78.6 48.57 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.806 179.516 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 72.37 24.88 75.61 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.115 -0.794 . . . . 0.0 111.115 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' DBB . . . . . 0.444 ' HB2' ' H ' ' A' ' 4' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.455 ' C ' HG22 ' A' ' 4' ' ' VAL . . . -147.02 35.55 0.91 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.548 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.731 ' O ' ' CD2' ' A' ' 11' ' ' PHE . 28.2 m-20 -63.61 -71.31 0.17 Allowed 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.892 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.627 ' HB2' ' O ' ' A' ' 9' ' ' ASN . 3.2 mpt_? 76.01 -24.65 0.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.691 -179.259 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.731 ' CD2' ' O ' ' A' ' 9' ' ' ASN . 23.0 p90 -102.74 -52.64 3.03 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.907 179.589 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' DBB . . . . . 0.666 ' CG ' ' O ' ' A' ' 11' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.574 HD12 ' N ' ' A' ' 10' ' ' ARG . 8.3 mm 47.2 15.06 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.416 -179.357 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.599 ' C ' ' CG2' ' A' ' 15' ' ' VAL . 64.0 t30 173.93 -39.5 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.45 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.599 ' CG2' ' C ' ' A' ' 14' ' ' ASN . 0.0 OUTLIER 168.38 89.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.396 -179.937 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.653 ' SG ' ' O ' ' A' ' 11' ' ' PHE . 0.8 OUTLIER . . . . . 0 C--O 1.221 -0.421 0 CA-C-O 117.93 -1.033 . . . . 0.0 110.662 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 90.7 t80 . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.608 ' O ' ' C ' ' A' ' 3' ' ' CYS . 35.7 t80 -71.68 -22.76 61.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.594 179.729 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.608 ' C ' ' O ' ' A' ' 2' ' ' PHE . 1.3 m -17.01 106.09 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.044 -179.219 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.531 HG13 ' CZ ' ' A' ' 2' ' ' PHE . 3.6 m -64.33 -41.9 93.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.016 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.469 ' HB2' ' CB ' ' A' ' 8' ' ' ALA . 3.5 mt-30 -138.62 84.58 2.03 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.866 -0.334 . . . . 0.0 110.422 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 50.56 20.06 3.59 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.412 -1.075 . . . . 0.0 110.412 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' DBB . . . . . 0.582 ' CG ' ' OD1' ' A' ' 9' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.469 ' CB ' ' HB2' ' A' ' 5' ' ' GLN . . . -107.5 50.25 0.78 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.1 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.645 ' CB ' ' CZ ' ' A' ' 11' ' ' PHE . 0.6 OUTLIER -129.61 107.09 9.18 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.556 -0.458 . . . . 0.0 111.096 179.799 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.588 ' O ' ' CD1' ' A' ' 13' ' ' ILE . 10.2 mpt_? -65.2 -39.16 92.45 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.653 179.575 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.685 ' O ' ' CG ' ' A' ' 12' ' ' DBB . 35.0 p90 -60.66 -48.17 82.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.115 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' DBB . . . . . 0.685 ' CG ' ' O ' ' A' ' 11' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.612 ' N ' ' O ' ' A' ' 9' ' ' ASN . 2.0 mp 71.11 -42.91 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.193 -179.328 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.594 ' H ' ' C ' ' A' ' 12' ' ' DBB . 53.1 p-10 -125.32 -24.0 4.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.183 179.365 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.573 ' CB ' ' O ' ' A' ' 14' ' ' ASN . 2.1 p 154.35 97.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.232 0.161 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.726 179.74 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.645 ' SG ' ' O ' ' A' ' 11' ' ' PHE . 1.0 OUTLIER . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.654 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.661 ' O ' ' C ' ' A' ' 3' ' ' CYS . 0.8 OUTLIER -61.07 -48.01 83.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.238 179.8 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.661 ' C ' ' O ' ' A' ' 2' ' ' PHE . 0.8 OUTLIER 0.98 93.65 0.01 OUTLIER 'General case' 0 C--O 1.232 0.181 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.799 -179.117 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.603 ' O ' ' NE2' ' A' ' 5' ' ' GLN . 31.2 m -61.47 -45.28 98.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 -179.224 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.603 ' NE2' ' O ' ' A' ' 4' ' ' VAL . 70.5 mm-40 -144.29 112.03 6.17 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.659 -0.416 . . . . 0.0 110.799 -179.625 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 5' ' ' GLN . . . 38.41 22.2 0.01 OUTLIER Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' DBB . . . . . 0.591 ' N ' ' O ' ' A' ' 5' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.481 ' N ' ' O ' ' A' ' 5' ' ' GLN . . . -97.11 -3.44 41.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.736 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.688 ' ND2' ' C ' ' A' ' 12' ' ' DBB . 39.2 t-20 -33.63 -84.09 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.604 -179.636 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.582 ' NH1' ' O ' ' A' ' 7' ' ' DBB . 9.0 mpt_? 61.53 50.81 4.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.002 0.43 . . . . 0.0 110.797 179.445 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.645 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 2.0 p90 170.98 5.93 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.624 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' DBB . . . . . 0.688 ' C ' ' ND2' ' A' ' 9' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.569 ' CD1' ' N ' ' A' ' 13' ' ' ILE . 1.1 mm -42.81 -55.68 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.349 -179.019 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.545 ' O ' ' CB ' ' A' ' 15' ' ' VAL . 88.2 m-20 -64.53 -41.17 96.55 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.44 179.244 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.545 ' CB ' ' O ' ' A' ' 14' ' ' ASN . 2.3 p 155.34 65.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.226 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.645 ' SG ' ' O ' ' A' ' 11' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--O 1.22 -0.452 0 CA-C-O 118.019 -0.991 . . . . 0.0 111.089 -179.717 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.64 ' O ' ' C ' ' A' ' 3' ' ' CYS . 32.5 t80 -61.26 -45.37 94.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.605 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.64 ' C ' ' O ' ' A' ' 2' ' ' PHE . 1.7 m -5.5 105.96 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.517 -179.633 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.47 HG21 ' HB3' ' A' ' 9' ' ' ASN . 11.1 m -64.99 -41.05 91.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.467 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.404 ' N ' HG23 ' A' ' 4' ' ' VAL . 2.8 pt20 -161.59 101.87 1.19 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.593 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 55.58 41.62 82.22 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' DBB . . . . . 0.526 ' HG2' ' OD1' ' A' ' 9' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -137.57 34.4 2.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.641 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.606 ' O ' ' N ' ' A' ' 13' ' ' ILE . 48.4 p-10 -106.12 98.06 7.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.772 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.607 ' O ' ' CD1' ' A' ' 13' ' ' ILE . 10.0 mmt85 -66.02 -39.66 90.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.38 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.807 ' O ' ' CG ' ' A' ' 12' ' ' DBB . 13.8 p90 -60.77 -53.9 51.7 Favored 'General case' 0 C--O 1.219 -0.538 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.533 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' DBB . . . . . 0.807 ' CG ' ' O ' ' A' ' 11' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.607 ' CD1' ' O ' ' A' ' 10' ' ' ARG . 1.3 mp 57.14 8.78 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.315 -178.026 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.519 ' H ' ' C ' ' A' ' 12' ' ' DBB . 0.0 OUTLIER 162.05 -15.99 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.46 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.638 ' O ' ' C ' ' A' ' 16' ' ' CYS . 23.8 m -147.02 -121.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.468 -179.648 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.665 ' SG ' ' C ' ' A' ' 11' ' ' PHE . 0.7 OUTLIER . . . . . 0 C--O 1.214 -0.771 0 CA-C-O 118.02 -0.991 . . . . 0.0 110.846 179.8 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.653 ' CD2' ' ND2' ' A' ' 9' ' ' ASN . 3.2 t80 -100.61 86.26 3.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.544 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -103.16 132.72 49.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.769 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.629 ' CG1' ' CE1' ' A' ' 2' ' ' PHE . 21.8 m -118.54 128.63 75.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.279 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.519 ' O ' ' HB2' ' A' ' 8' ' ' ALA . 0.9 OUTLIER 39.13 70.96 0.18 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.76 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.658 ' O ' ' C ' ' A' ' 7' ' ' DBB . . . 63.72 77.98 0.21 Allowed Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' DBB . . . . . 0.658 ' C ' ' O ' ' A' ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.519 ' HB2' ' O ' ' A' ' 5' ' ' GLN . . . -105.9 24.92 11.56 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.486 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.653 ' ND2' ' CD2' ' A' ' 2' ' ' PHE . 57.6 t30 -88.05 108.88 19.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.562 -179.737 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.521 ' HD2' ' O ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -121.08 15.92 11.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.375 179.836 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.756 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 16.3 p90 -117.66 -21.42 8.52 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.045 -179.6 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' DBB . . . . . 0.616 ' O ' ' ND2' ' A' ' 9' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.588 ' CD1' ' O ' ' A' ' 9' ' ' ASN . 1.0 OUTLIER -46.83 -34.08 2.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.593 -179.433 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.557 ' O ' ' OD1' ' A' ' 14' ' ' ASN . 24.8 t-20 -103.76 40.69 1.39 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.453 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.578 ' HA ' ' CD2' ' A' ' 2' ' ' PHE . 8.1 t 69.72 62.6 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.355 -179.794 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.756 ' SG ' ' O ' ' A' ' 11' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 118.007 -0.997 . . . . 0.0 110.732 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.409 ' H3 ' HD21 ' A' ' 14' ' ' ASN . 96.9 m-85 . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.605 ' CZ ' ' CG1' ' A' ' 4' ' ' VAL . 7.5 t80 -109.41 122.09 46.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.654 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.3 m -135.22 108.36 7.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.741 179.515 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.605 ' CG1' ' CZ ' ' A' ' 2' ' ' PHE . 1.6 m -64.7 -41.32 91.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.086 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -167.38 98.04 0.5 Allowed 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.693 -0.403 . . . . 0.0 111.03 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 68.78 26.01 74.81 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 179.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' DBB . . . . . 0.453 ' HG1' ' HB3' ' A' ' 9' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -89.88 4.04 51.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.847 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.557 ' OD1' ' CD2' ' A' ' 11' ' ' PHE . 63.7 t-20 -83.61 102.77 12.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.947 0.403 . . . . 0.0 110.676 -179.482 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -100.25 7.08 44.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.316 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.661 ' O ' ' CG ' ' A' ' 12' ' ' DBB . 0.8 OUTLIER -114.7 -75.0 0.59 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.098 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' DBB . . . . . 0.661 ' CG ' ' O ' ' A' ' 11' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.581 ' O ' ' ND2' ' A' ' 14' ' ' ASN . 1.5 mt 47.2 13.9 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 CA-C-N 114.685 -1.143 . . . . 0.0 110.369 -179.403 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.599 ' H ' ' C ' ' A' ' 12' ' ' DBB . 7.5 m120 -168.81 -34.74 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.343 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.581 ' CG2' ' N ' ' A' ' 16' ' ' CYS . 0.7 OUTLIER -164.71 -87.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.016 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.581 ' N ' ' CG2' ' A' ' 15' ' ' VAL . 1.2 m . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.942 -1.027 . . . . 0.0 110.447 -179.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.558 ' O ' ' CD2' ' A' ' 1' ' ' PHE . 81.6 t80 . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.675 ' CE2' ' ND2' ' A' ' 9' ' ' ASN . 5.6 t80 -107.1 117.36 33.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.621 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.1 m -139.25 102.25 4.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.834 179.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.595 HG13 ' CE1' ' A' ' 2' ' ' PHE . 1.1 m -64.42 -44.97 97.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.721 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.592 ' O ' ' N ' ' A' ' 7' ' ' DBB . 86.1 mm-40 -142.86 107.45 4.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.196 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 39.45 20.88 0.02 OUTLIER Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' DBB . . . . . 0.592 ' N ' ' O ' ' A' ' 5' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.511 ' N ' ' O ' ' A' ' 5' ' ' GLN . . . -98.18 28.04 4.27 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.46 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.696 ' ND2' ' C ' ' A' ' 12' ' ' DBB . 53.7 t-20 -87.93 101.16 13.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.7 -179.584 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.548 ' HD2' ' N ' ' A' ' 10' ' ' ARG . 2.6 mmm-85 -106.19 38.65 1.98 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.917 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.823 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 16.0 p90 -153.05 -14.72 0.15 Allowed 'General case' 0 CA--C 1.51 -0.568 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.185 -179.569 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' DBB . . . . . 0.696 ' C ' ' ND2' ' A' ' 9' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.509 HG13 ' O ' ' A' ' 9' ' ' ASN . 0.5 OUTLIER -33.34 -49.14 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.885 -178.652 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.559 ' O ' ' HB ' ' A' ' 15' ' ' VAL . 99.1 m-20 -63.0 -40.62 98.34 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.522 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.592 ' O ' ' CG2' ' A' ' 15' ' ' VAL . 2.6 p 157.67 9.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.493 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.823 ' SG ' ' O ' ' A' ' 11' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 118.128 -0.939 . . . . 0.0 110.954 -179.711 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.594 ' CZ ' HG13 ' A' ' 4' ' ' VAL . 7.4 t80 -115.87 109.81 18.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.594 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -122.42 134.4 54.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.603 179.752 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.594 HG13 ' CZ ' ' A' ' 2' ' ' PHE . 13.2 m -118.7 130.28 73.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.267 179.625 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.512 ' HG3' ' O ' ' A' ' 4' ' ' VAL . 2.6 pt20 38.04 71.9 0.14 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.755 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.658 ' O ' ' C ' ' A' ' 7' ' ' DBB . . . 62.27 76.58 0.25 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 179.79 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' DBB . . . . . 0.658 ' C ' ' O ' ' A' ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.504 ' HB3' ' O ' ' A' ' 5' ' ' GLN . . . -109.46 46.99 0.96 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.778 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.672 ' O ' ' CD2' ' A' ' 11' ' ' PHE . 2.2 t-20 -73.61 -84.79 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.239 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.578 ' HD2' ' N ' ' A' ' 10' ' ' ARG . 2.0 mpt_? 59.88 45.2 12.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.979 0.418 . . . . 0.0 111.178 179.081 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.714 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 5.9 p90 173.2 -15.94 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.152 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' DBB . . . . . 0.634 ' O ' ' ND2' ' A' ' 9' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.55 ' CD1' ' HB3' ' A' ' 9' ' ' ASN . 1.5 mm -44.56 -51.83 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.25 -178.749 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.569 ' C ' ' CG2' ' A' ' 15' ' ' VAL . 55.1 t30 -63.59 -40.78 97.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.813 0.339 . . . . 0.0 110.755 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.569 ' CG2' ' C ' ' A' ' 14' ' ' ASN . 0.0 OUTLIER 171.93 -49.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.988 0.423 . . . . 0.0 110.162 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.714 ' SG ' ' O ' ' A' ' 11' ' ' PHE . 1.2 m . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.874 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.672 ' CD2' ' ND2' ' A' ' 9' ' ' ASN . 5.6 t80 -66.66 -20.96 66.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.543 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.584 ' C ' ' O ' ' A' ' 2' ' ' PHE . 0.8 OUTLIER -24.58 98.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.142 -179.503 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.594 HG12 ' CE1' ' A' ' 2' ' ' PHE . 11.5 m -63.45 -44.66 98.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.597 -179.302 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.48 ' N ' HG22 ' A' ' 4' ' ' VAL . 1.6 pt20 -153.36 112.51 3.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.536 -179.704 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 45.35 27.77 1.95 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' DBB . . . . . 0.453 ' HG2' ' H ' ' A' ' 9' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -116.56 31.71 6.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.526 179.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.672 ' ND2' ' CD2' ' A' ' 2' ' ' PHE . 80.2 m-20 -56.37 -86.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.568 -179.551 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.585 ' O ' ' HB3' ' A' ' 11' ' ' PHE . 3.4 mpt_? 62.54 50.32 3.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.557 -179.571 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.625 ' CD1' ' C ' ' A' ' 11' ' ' PHE . 2.2 p90 168.25 0.25 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.564 -178.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' DBB . . . . . 0.607 ' CG ' ' C ' ' A' ' 11' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.542 ' CD1' ' N ' ' A' ' 13' ' ' ILE . 1.6 mm -63.16 134.72 28.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.551 -179.429 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.584 ' O ' ' CB ' ' A' ' 15' ' ' VAL . 65.3 t30 70.8 33.71 2.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.545 -179.338 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.6 ' O ' ' CB ' ' A' ' 16' ' ' CYS . 3.8 t 87.82 112.07 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.485 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.65 ' OXT' ' SG ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.221 -0.432 0 CA-C-O 117.999 -1.0 . . . . 0.0 110.515 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 87.9 t80 . . . . . 0 N--CA 1.492 1.647 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.59 ' CZ ' ' CG1' ' A' ' 4' ' ' VAL . 13.4 t80 -110.32 116.95 32.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.123 179.721 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.541 ' C ' ' CG2' ' A' ' 4' ' ' VAL . 0.1 OUTLIER -132.88 29.59 4.1 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.003 179.86 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.59 ' CG1' ' CZ ' ' A' ' 2' ' ' PHE . 0.9 OUTLIER 40.07 -104.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 C-N-CA 120.434 -0.507 . . . . 0.0 110.273 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.441 ' H ' HG21 ' A' ' 4' ' ' VAL . 82.6 mm-40 -86.08 -72.78 0.48 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.72 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -131.55 6.19 5.56 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' DBB . . . . . 0.572 ' O ' ' NH1' ' A' ' 10' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -113.42 38.08 3.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.106 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.657 ' O ' ' CD2' ' A' ' 11' ' ' PHE . 3.0 m120 -54.1 -88.45 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.454 -179.515 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.572 ' NH1' ' O ' ' A' ' 7' ' ' DBB . 9.3 mpt_? 61.1 44.14 10.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.857 0.361 . . . . 0.0 111.287 179.431 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.736 ' CD1' ' N ' ' A' ' 12' ' ' DBB . 3.3 p90 174.89 -22.98 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.875 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' DBB . . . . . 0.736 ' N ' ' CD1' ' A' ' 11' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.543 ' HA ' ' ND2' ' A' ' 9' ' ' ASN . 1.3 mp -60.03 133.21 25.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.584 -178.698 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.524 ' O ' HG13 ' A' ' 15' ' ' VAL . 60.9 t-20 59.09 38.49 23.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.295 -179.48 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.568 ' N ' ' HB3' ' A' ' 2' ' ' PHE . 0.4 OUTLIER 83.6 121.81 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.106 -179.911 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.706 ' SG ' ' O ' ' A' ' 11' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 118.024 -0.989 . . . . 0.0 110.78 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 2' ' ' PHE . . . . . 0.654 ' CZ ' HG13 ' A' ' 4' ' ' VAL . 5.0 t80 . . . . . 0 CA--C 1.521 -0.144 0 CA-C-O 120.782 0.325 . . . . 0.0 110.633 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.3 m -94.46 111.76 23.52 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.456 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.654 HG13 ' CZ ' ' A' ' 2' ' ' PHE . 0.9 OUTLIER -64.49 -41.92 93.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.977 179.759 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.422 ' HG2' ' C ' ' A' ' 4' ' ' VAL . 1.8 pt20 -168.15 97.32 0.43 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.57 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.626 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 179.877 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.678 0.275 . . . . 0.0 110.543 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.665 ' O ' ' CD2' ' A' ' 11' ' ' PHE . 14.0 t-20 -55.04 -84.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.441 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.646 ' HD2' ' N ' ' A' ' 10' ' ' ARG . 7.0 mmm180 61.2 49.5 5.48 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.881 0.372 . . . . 0.0 110.769 179.493 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.738 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 2.8 p90 . . . . . 0 C--N 1.326 -0.418 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.443 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.485 HD12 ' N ' ' A' ' 13' ' ' ILE . 0.8 OUTLIER . . . . . 0 N--CA 1.462 0.129 0 CA-C-O 120.675 0.274 . . . . 0.0 111.083 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.551 ' O ' ' HB ' ' A' ' 15' ' ' VAL . 90.5 m-20 -61.51 -40.68 95.47 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.395 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.717 HG22 ' O ' ' A' ' 15' ' ' VAL . 2.4 p 159.18 4.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.728 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.738 ' SG ' ' O ' ' A' ' 11' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--O 1.219 -0.518 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.832 -179.517 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 2' ' ' PHE . . . . . 0.664 ' CZ ' ' CG1' ' A' ' 4' ' ' VAL . 6.6 t80 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.763 0.316 . . . . 0.0 110.622 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -127.86 129.72 47.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.505 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.664 ' CG1' ' CZ ' ' A' ' 2' ' ' PHE . 20.9 m -116.34 129.45 72.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.783 0.325 . . . . 0.0 110.573 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.716 ' HG3' ' HB3' ' A' ' 8' ' ' ALA . 3.6 pt20 37.91 76.42 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.51 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.652 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.938 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.716 ' HB3' ' HG3' ' A' ' 5' ' ' GLN . . . . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.772 0.32 . . . . 0.0 110.586 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.792 ' ND2' ' CZ ' ' A' ' 11' ' ' PHE . 2.0 t-20 -97.59 68.9 2.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.604 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.573 ' O ' ' CD1' ' A' ' 13' ' ' ILE . 3.5 mpt_? -68.0 -38.99 83.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.613 179.455 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.792 ' CZ ' ' ND2' ' A' ' 9' ' ' ASN . 31.1 p90 . . . . . 0 C--O 1.219 -0.507 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.583 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.708 ' O ' HG22 ' A' ' 13' ' ' ILE . 49.8 mt . . . . . 0 N--CA 1.457 -0.103 0 CA-C-O 120.799 0.333 . . . . 0.0 110.244 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.517 ' HB2' ' O ' ' A' ' 13' ' ' ILE . 62.6 t30 174.67 -39.12 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.889 0.376 . . . . 0.0 110.497 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.567 ' O ' HG13 ' A' ' 15' ' ' VAL . 3.7 p 171.82 100.21 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.641 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.661 ' SG ' ' C ' ' A' ' 11' ' ' PHE . 1.1 m . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.565 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' PHE . . . . . 0.804 ' CE1' HG13 ' A' ' 4' ' ' VAL . 2.6 t80 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.767 0.318 . . . . 0.0 110.596 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.438 ' N ' ' CD1' ' A' ' 2' ' ' PHE . 0.1 OUTLIER -134.03 128.82 35.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.149 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.804 HG13 ' CE1' ' A' ' 2' ' ' PHE . 2.4 m -107.13 113.01 42.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.397 179.495 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.522 ' HB2' ' O ' ' A' ' 4' ' ' VAL . 86.5 mm-40 77.48 27.85 0.61 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.494 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.69 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.975 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.844 0.354 . . . . 0.0 110.444 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.658 ' O ' ' CD2' ' A' ' 11' ' ' PHE . 9.1 t-20 -62.96 -80.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.513 ' O ' ' HB3' ' A' ' 11' ' ' PHE . 2.9 mpt_? 59.67 43.63 15.37 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.515 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.658 ' CD2' ' O ' ' A' ' 9' ' ' ASN . 2.1 p90 . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.7 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.507 ' HA ' ' CB ' ' A' ' 9' ' ' ASN . 1.5 mp . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.755 0.312 . . . . 0.0 110.602 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.936 ' O ' HG23 ' A' ' 15' ' ' VAL . 50.6 t-20 -64.22 -40.71 96.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.582 179.767 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.936 HG23 ' O ' ' A' ' 14' ' ' ASN . 1.5 t 162.18 93.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.278 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.655 ' SG ' ' O ' ' A' ' 11' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.667 179.61 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 2' ' ' PHE . . . . . 0.857 ' CE1' HG13 ' A' ' 4' ' ' VAL . 1.7 t80 . . . . . 0 N--CA 1.456 -0.151 0 CA-C-O 120.796 0.331 . . . . 0.0 110.78 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.423 ' N ' ' CD1' ' A' ' 2' ' ' PHE . 0.1 OUTLIER -136.65 133.29 36.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.463 179.849 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.857 HG13 ' CE1' ' A' ' 2' ' ' PHE . 4.4 m -119.88 128.02 75.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 120.884 0.373 . . . . 0.0 110.656 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 58.3 mm-40 50.91 58.33 5.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.427 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.689 0 N-CA-C 110.797 -0.921 . . . . 0.0 110.797 179.985 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.594 ' HB3' ' O ' ' A' ' 4' ' ' VAL . . . . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.74 0.305 . . . . 0.0 110.456 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.665 ' O ' ' CD2' ' A' ' 11' ' ' PHE . 12.3 t-20 -61.75 -87.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.8 -179.666 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.556 ' HD2' ' N ' ' A' ' 10' ' ' ARG . 3.4 mpt_? 66.1 35.17 6.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.441 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.682 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 26.9 p90 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.668 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.619 ' O ' ' CB ' ' A' ' 14' ' ' ASN . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.235 0 CA-C-O 120.772 0.32 . . . . 0.0 110.542 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.958 ' O ' HG13 ' A' ' 15' ' ' VAL . 1.1 m120 151.91 -51.98 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.628 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.958 HG13 ' O ' ' A' ' 14' ' ' ASN . 0.0 OUTLIER 179.37 -14.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.628 -179.907 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.682 ' SG ' ' O ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.217 -0.612 0 CA-C-O 118.049 -0.977 . . . . 0.0 110.735 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 2' ' ' PHE . . . . . 0.761 ' CE2' HG13 ' A' ' 4' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.747 0.308 . . . . 0.0 110.446 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.544 ' N ' ' HD2' ' A' ' 2' ' ' PHE . 0.0 OUTLIER -134.3 127.53 31.97 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.256 179.522 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.761 HG13 ' CE2' ' A' ' 2' ' ' PHE . 19.8 m -116.57 128.92 73.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.651 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 75.2 mm-40 50.05 67.58 0.89 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.69 179.271 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.694 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 179.988 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.715 ' HB3' ' O ' ' A' ' 4' ' ' VAL . . . . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.668 0.271 . . . . 0.0 110.77 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.951 ' O ' HD13 ' A' ' 13' ' ' ILE . 64.2 t-20 -96.0 101.73 13.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.382 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.611 ' NH1' ' CA ' ' A' ' 8' ' ' ALA . 5.4 mmt-85 -99.48 -10.28 22.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.929 0.395 . . . . 0.0 110.906 -179.694 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.643 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 18.3 p90 . . . . . 0 C--N 1.324 -0.514 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.989 -179.531 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.951 HD13 ' O ' ' A' ' 9' ' ' ASN . 6.7 mm . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.827 0.346 . . . . 0.0 110.422 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.535 ' O ' ' HB2' ' A' ' 2' ' ' PHE . 74.7 m-20 -171.04 -33.72 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.969 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.626 ' O ' HG13 ' A' ' 15' ' ' VAL . 6.7 p 173.03 99.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.454 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.643 ' SG ' ' O ' ' A' ' 11' ' ' PHE . 0.8 OUTLIER . . . . . 0 C--O 1.219 -0.5 0 CA-C-O 118.075 -0.964 . . . . 0.0 110.67 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 2' ' ' PHE . . . . . 0.921 ' CZ ' HG13 ' A' ' 4' ' ' VAL . 1.4 t80 . . . . . 0 CA--C 1.522 -0.127 0 CA-C-O 120.849 0.357 . . . . 0.0 110.762 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.56 ' N ' ' CD1' ' A' ' 2' ' ' PHE . 1.7 m -125.25 138.19 54.1 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.381 179.473 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.921 HG13 ' CZ ' ' A' ' 2' ' ' PHE . 0.7 OUTLIER -105.63 -9.78 10.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.666 -179.908 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.52 ' HG2' ' C ' ' A' ' 4' ' ' VAL . 8.3 pt20 165.6 88.34 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.802 179.79 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.628 0 N-CA-C 110.79 -0.924 . . . . 0.0 110.79 179.868 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.444 ' HB1' ' NH1' ' A' ' 10' ' ' ARG . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.883 0.373 . . . . 0.0 110.505 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.796 ' ND2' ' CE1' ' A' ' 11' ' ' PHE . 1.6 t-20 -93.77 74.84 4.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.643 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.592 ' O ' ' CD1' ' A' ' 13' ' ' ILE . 2.0 mmt-85 -69.42 -41.11 76.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.148 0.499 . . . . 0.0 110.749 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.796 ' CE1' ' ND2' ' A' ' 9' ' ' ASN . 28.5 p90 . . . . . 0 C--N 1.325 -0.478 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.835 -179.377 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.737 ' O ' HG22 ' A' ' 13' ' ' ILE . 50.7 mt . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.781 0.324 . . . . 0.0 110.607 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.435 ' O ' ' HB ' ' A' ' 15' ' ' VAL . 0.5 OUTLIER 171.51 -41.1 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.328 -179.889 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.632 ' O ' HG13 ' A' ' 15' ' ' VAL . 7.7 p 175.22 103.52 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.396 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.665 ' SG ' ' O ' ' A' ' 11' ' ' PHE . 0.9 OUTLIER . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.577 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 2' ' ' PHE . . . . . 0.579 ' CE2' HG13 ' A' ' 4' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.723 0.297 . . . . 0.0 110.79 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -113.89 130.4 56.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.669 179.6 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.896 HG22 ' HB3' ' A' ' 9' ' ' ASN . 33.2 m -121.44 129.29 75.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.385 179.658 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.442 ' HG2' ' C ' ' A' ' 4' ' ' VAL . 18.3 mm-40 55.3 55.72 7.17 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.806 179.45 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.747 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 179.821 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.754 0.311 . . . . 0.0 110.503 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.896 ' HB3' HG22 ' A' ' 4' ' ' VAL . 49.5 p-10 -97.77 49.43 1.03 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.342 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.515 ' O ' ' HB3' ' A' ' 11' ' ' PHE . 0.6 OUTLIER -55.79 82.72 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.236 -179.807 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.697 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 1.7 p90 . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.714 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.827 ' N ' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.461 0.117 0 CA-C-O 120.527 0.203 . . . . 0.0 111.331 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.592 ' O ' HG22 ' A' ' 15' ' ' VAL . 96.1 m-20 -51.86 -74.01 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.619 -179.572 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.592 HG22 ' O ' ' A' ' 14' ' ' ASN . 2.3 t -160.29 62.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.435 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.697 ' SG ' ' O ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 117.881 -1.057 . . . . 0.0 111.03 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 2' ' ' PHE . . . . . 0.99 ' CZ ' HG13 ' A' ' 4' ' ' VAL . 3.2 t80 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.768 0.318 . . . . 0.0 110.648 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.446 ' N ' ' CD1' ' A' ' 2' ' ' PHE . 1.2 m -144.07 103.65 4.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.778 179.771 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.99 HG13 ' CZ ' ' A' ' 2' ' ' PHE . 0.6 OUTLIER -64.29 -43.15 97.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.583 179.711 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.599 ' HB2' ' HB3' ' A' ' 8' ' ' ALA . 27.4 mm100 -142.35 102.36 4.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.591 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.722 0 N-CA-C 110.874 -0.891 . . . . 0.0 110.874 -179.485 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.599 ' HB3' ' HB2' ' A' ' 5' ' ' GLN . . . . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.824 0.345 . . . . 0.0 110.547 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.699 ' OD1' HG22 ' A' ' 4' ' ' VAL . 9.5 m-20 -67.17 -81.98 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.609 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.569 ' HB2' ' O ' ' A' ' 9' ' ' ASN . 2.7 mpt_? 69.86 11.65 7.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.568 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.682 ' CD2' ' O ' ' A' ' 9' ' ' ASN . 37.4 p90 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.606 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.535 ' CA ' HD22 ' A' ' 9' ' ' ASN . 1.1 mp . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.852 0.358 . . . . 0.0 110.583 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.532 ' O ' ' OD1' ' A' ' 14' ' ' ASN . 51.9 p-10 -123.79 76.99 1.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.561 179.766 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.6 HG22 ' HB2' ' A' ' 2' ' ' PHE . 3.3 t 41.56 71.69 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.598 -179.711 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.681 ' SG ' ' O ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.07 -0.967 . . . . 0.0 110.502 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 2' ' ' PHE . . . . . 0.65 ' CE1' ' CG1' ' A' ' 4' ' ' VAL . 4.9 t80 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.698 0.285 . . . . 0.0 110.568 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -100.1 131.16 46.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.635 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.65 ' CG1' ' CE1' ' A' ' 2' ' ' PHE . 24.6 m -121.33 129.43 75.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.362 179.538 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 42.4 mm-40 47.7 66.6 0.99 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.766 179.562 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.721 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.862 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.55 ' HB3' ' O ' ' A' ' 4' ' ' VAL . . . . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.823 0.344 . . . . 0.0 110.53 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.784 ' ND2' ' CE1' ' A' ' 11' ' ' PHE . 0.5 OUTLIER -63.67 -34.25 77.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.615 -179.824 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.624 ' O ' ' CD1' ' A' ' 13' ' ' ILE . 6.8 mpt_? 33.09 -91.34 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.943 0.401 . . . . 0.0 110.845 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.784 ' CE1' ' ND2' ' A' ' 9' ' ' ASN . 34.5 p90 . . . . . 0 C--N 1.324 -0.537 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.773 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.762 ' O ' HG22 ' A' ' 13' ' ' ILE . 10.0 mt . . . . . 0 CA--C 1.529 0.144 0 CA-C-O 120.925 0.393 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.585 ' OD1' ' N ' ' A' ' 15' ' ' VAL . 13.2 p30 176.29 -39.74 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.93 0.395 . . . . 0.0 110.711 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.589 ' O ' HG13 ' A' ' 15' ' ' VAL . 4.7 p 173.07 101.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.242 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.679 ' SG ' ' O ' ' A' ' 11' ' ' PHE . 0.9 OUTLIER . . . . . 0 C--O 1.221 -0.403 0 CA-C-O 117.926 -1.035 . . . . 0.0 110.794 -179.613 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 2' ' ' PHE . . . . . 0.826 ' CZ ' HG13 ' A' ' 4' ' ' VAL . 35.4 t80 . . . . . 0 CA--C 1.523 -0.076 0 CA-C-O 120.753 0.311 . . . . 0.0 110.633 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.2 m -104.74 104.06 13.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.681 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.826 HG13 ' CZ ' ' A' ' 2' ' ' PHE . 2.8 m -64.67 -42.33 94.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.788 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.602 ' HG3' HG23 ' A' ' 4' ' ' VAL . 0.8 OUTLIER -142.18 102.39 4.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.473 -179.6 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.693 0 N-CA-C 110.761 -0.936 . . . . 0.0 110.761 -179.999 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.498 ' N ' ' O ' ' A' ' 5' ' ' GLN . . . . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.822 0.344 . . . . 0.0 110.557 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.638 ' O ' ' CD2' ' A' ' 11' ' ' PHE . 2.3 m120 -68.45 -95.75 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.098 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.501 ' HB2' ' O ' ' A' ' 9' ' ' ASN . 3.8 mpt_? 65.17 44.08 3.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.573 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.666 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 9.8 p90 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.527 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.558 ' HA ' ' CG ' ' A' ' 9' ' ' ASN . 3.5 mp . . . . . 0 CA--C 1.518 -0.256 0 CA-C-O 120.693 0.282 . . . . 0.0 110.525 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.573 ' O ' ' HB ' ' A' ' 15' ' ' VAL . 76.0 m-20 -63.64 -41.91 98.19 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.447 179.382 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.878 HG22 ' O ' ' A' ' 15' ' ' VAL . 3.4 p 158.05 23.54 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-O 121.142 0.496 . . . . 0.0 110.131 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.666 ' SG ' ' O ' ' A' ' 11' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--O 1.221 -0.436 0 CA-C-O 117.963 -1.018 . . . . 0.0 111.212 -179.402 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 2' ' ' PHE . . . . . 0.784 ' CE1' HG13 ' A' ' 4' ' ' VAL . 1.8 t80 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.708 0.29 . . . . 0.0 110.432 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -126.03 132.07 52.06 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.734 179.67 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.784 HG13 ' CE1' ' A' ' 2' ' ' PHE . 11.6 m -114.83 106.91 21.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.359 179.47 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.519 ' HB2' ' O ' ' A' ' 4' ' ' VAL . 81.5 mm-40 78.6 48.57 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.806 179.516 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.75 0 N-CA-C 111.115 -0.794 . . . . 0.0 111.115 179.705 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.747 ' HB3' ' O ' ' A' ' 4' ' ' VAL . . . . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.692 0.282 . . . . 0.0 110.548 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.731 ' O ' ' CD2' ' A' ' 11' ' ' PHE . 28.2 m-20 -63.61 -71.31 0.17 Allowed 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.892 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.77 ' CA ' HD11 ' A' ' 13' ' ' ILE . 3.2 mpt_? 76.01 -24.65 0.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.691 -179.259 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.731 ' CD2' ' O ' ' A' ' 9' ' ' ASN . 23.0 p90 . . . . . 0 N--CA 1.464 0.243 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.907 179.589 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.77 HD11 ' CA ' ' A' ' 10' ' ' ARG . 8.3 mm . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 120.774 0.321 . . . . 0.0 110.416 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.925 ' O ' HG13 ' A' ' 15' ' ' VAL . 64.0 t30 173.93 -39.5 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.45 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.925 HG13 ' O ' ' A' ' 14' ' ' ASN . 0.0 OUTLIER 168.38 89.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.396 -179.937 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.653 ' SG ' ' O ' ' A' ' 11' ' ' PHE . 0.8 OUTLIER . . . . . 0 C--O 1.221 -0.421 0 CA-C-O 117.93 -1.033 . . . . 0.0 110.662 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 2' ' ' PHE . . . . . 0.66 ' CE2' HG13 ' A' ' 4' ' ' VAL . 35.7 t80 . . . . . 0 CA--C 1.521 -0.135 0 CA-C-O 120.7 0.286 . . . . 0.0 110.594 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.608 ' C ' ' O ' ' A' ' 2' ' ' PHE . 1.3 m -17.01 106.09 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.044 -179.219 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.66 HG13 ' CE2' ' A' ' 2' ' ' PHE . 3.6 m -64.33 -41.9 93.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.016 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.673 ' HB2' ' HB3' ' A' ' 8' ' ' ALA . 3.5 mt-30 -138.62 84.58 2.03 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.866 -0.334 . . . . 0.0 110.422 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.577 0 N-CA-C 110.412 -1.075 . . . . 0.0 110.412 -179.895 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.673 ' HB3' ' HB2' ' A' ' 5' ' ' GLN . . . . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.521 0.2 . . . . 0.0 111.1 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.645 ' CB ' ' CZ ' ' A' ' 11' ' ' PHE . 0.6 OUTLIER -129.61 107.09 9.18 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.556 -0.458 . . . . 0.0 111.096 179.799 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.81 ' O ' HD11 ' A' ' 13' ' ' ILE . 10.2 mpt_? -65.2 -39.16 92.45 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.653 179.575 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.645 ' CZ ' ' CB ' ' A' ' 9' ' ' ASN . 35.0 p90 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.115 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.81 HD11 ' O ' ' A' ' 10' ' ' ARG . 2.0 mp . . . . . 0 CA--C 1.527 0.061 0 CA-C-O 120.769 0.319 . . . . 0.0 110.193 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.655 ' C ' HG12 ' A' ' 15' ' ' VAL . 53.1 p-10 -125.32 -24.0 4.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.183 179.365 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.655 HG12 ' C ' ' A' ' 14' ' ' ASN . 2.1 p 154.35 97.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.232 0.161 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.726 179.74 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.645 ' SG ' ' O ' ' A' ' 11' ' ' PHE . 1.0 OUTLIER . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.654 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 2' ' ' PHE . . . . . 0.661 ' O ' ' C ' ' A' ' 3' ' ' CYS . 0.8 OUTLIER . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.732 0.301 . . . . 0.0 110.238 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.661 ' C ' ' O ' ' A' ' 2' ' ' PHE . 0.8 OUTLIER 0.98 93.65 0.01 OUTLIER 'General case' 0 C--O 1.232 0.181 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.799 -179.117 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.653 HG12 ' CE2' ' A' ' 2' ' ' PHE . 31.2 m -61.47 -45.28 98.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 -179.224 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.603 ' NE2' ' O ' ' A' ' 4' ' ' VAL . 70.5 mm-40 -144.29 112.03 6.17 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.659 -0.416 . . . . 0.0 110.799 -179.625 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 5' ' ' GLN . . . . . . . . 0 CA--C 1.526 0.746 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.481 ' N ' ' O ' ' A' ' 5' ' ' GLN . . . . . . . . 0 CA--C 1.528 0.129 0 CA-C-O 120.767 0.318 . . . . 0.0 110.736 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.641 ' OD1' ' CD1' ' A' ' 11' ' ' PHE . 39.2 t-20 -33.63 -84.09 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.604 -179.636 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.489 ' O ' ' HB3' ' A' ' 11' ' ' PHE . 9.0 mpt_? 61.53 50.81 4.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.002 0.43 . . . . 0.0 110.797 179.445 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.645 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 2.0 p90 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.624 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.805 ' N ' HD13 ' A' ' 13' ' ' ILE . 1.1 mm . . . . . 0 N--CA 1.454 -0.26 0 CA-C-O 120.759 0.314 . . . . 0.0 110.349 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.619 ' C ' HG12 ' A' ' 15' ' ' VAL . 88.2 m-20 -64.53 -41.17 96.55 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.44 179.244 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.841 HG22 ' O ' ' A' ' 15' ' ' VAL . 2.3 p 155.34 65.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.226 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.645 ' SG ' ' O ' ' A' ' 11' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--O 1.22 -0.452 0 CA-C-O 118.019 -0.991 . . . . 0.0 111.089 -179.717 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 2' ' ' PHE . . . . . 0.64 ' O ' ' C ' ' A' ' 3' ' ' CYS . 32.5 t80 . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 120.48 0.181 . . . . 0.0 110.605 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.64 ' C ' ' O ' ' A' ' 2' ' ' PHE . 1.7 m -5.5 105.96 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.517 -179.633 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.533 HG13 ' HE2' ' A' ' 2' ' ' PHE . 11.1 m -64.99 -41.05 91.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.467 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.456 ' HG2' HG23 ' A' ' 4' ' ' VAL . 2.8 pt20 -161.59 101.87 1.19 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.593 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.617 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 179.979 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.791 0.329 . . . . 0.0 110.641 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.606 ' O ' ' N ' ' A' ' 13' ' ' ILE . 48.4 p-10 -106.12 98.06 7.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.772 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.794 ' O ' HD11 ' A' ' 13' ' ' ILE . 10.0 mmt85 -66.02 -39.66 90.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.38 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.665 ' C ' ' SG ' ' A' ' 16' ' ' CYS . 13.8 p90 . . . . . 0 C--O 1.219 -0.538 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.533 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.794 HD11 ' O ' ' A' ' 10' ' ' ARG . 1.3 mp . . . . . 0 N--CA 1.454 -0.248 0 CA-C-O 120.998 0.428 . . . . 0.0 110.315 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.556 ' CG ' HG13 ' A' ' 15' ' ' VAL . 0.0 OUTLIER 162.05 -15.99 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.46 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.638 ' O ' ' C ' ' A' ' 16' ' ' CYS . 23.8 m -147.02 -121.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.468 -179.648 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.665 ' SG ' ' C ' ' A' ' 11' ' ' PHE . 0.7 OUTLIER . . . . . 0 C--O 1.214 -0.771 0 CA-C-O 118.02 -0.991 . . . . 0.0 110.846 179.8 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 2' ' ' PHE . . . . . 0.805 ' HB2' HG22 ' A' ' 15' ' ' VAL . 3.2 t80 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.865 0.364 . . . . 0.0 110.544 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -103.16 132.72 49.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.769 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.957 HG22 ' HB2' ' A' ' 9' ' ' ASN . 21.8 m -118.54 128.63 75.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.279 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.695 ' HG3' ' HB3' ' A' ' 8' ' ' ALA . 4.5 pt20 39.13 70.96 0.18 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.76 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.423 ' O ' ' N ' ' A' ' 8' ' ' ALA . . . . . . . . 0 CA--C 1.524 0.64 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.695 ' HB3' ' HG3' ' A' ' 5' ' ' GLN . . . . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.82 0.343 . . . . 0.0 110.486 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.957 ' HB2' HG22 ' A' ' 4' ' ' VAL . 1.8 t-20 -88.05 108.88 19.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.562 -179.737 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.546 ' HD2' ' O ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -121.08 15.92 11.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.375 179.836 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.8 ' CZ ' ' ND2' ' A' ' 9' ' ' ASN . 16.3 p90 . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.045 -179.6 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.828 ' N ' HD13 ' A' ' 13' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.819 0.343 . . . . 0.0 110.593 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.557 ' O ' ' OD1' ' A' ' 14' ' ' ASN . 24.8 t-20 -103.76 40.69 1.39 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.453 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.805 HG22 ' HB2' ' A' ' 2' ' ' PHE . 8.1 t 69.72 62.6 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.355 -179.794 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.756 ' SG ' ' O ' ' A' ' 11' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 118.007 -0.997 . . . . 0.0 110.732 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 2' ' ' PHE . . . . . 0.879 ' CZ ' HG13 ' A' ' 4' ' ' VAL . 7.5 t80 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.818 0.342 . . . . 0.0 110.654 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.3 m -135.22 108.36 7.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.741 179.515 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.879 HG13 ' CZ ' ' A' ' 2' ' ' PHE . 1.6 m -64.7 -41.32 91.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.086 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -167.38 98.04 0.5 Allowed 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.693 -0.403 . . . . 0.0 111.03 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.639 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 179.595 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.722 0.296 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.557 ' OD1' ' CD2' ' A' ' 11' ' ' PHE . 63.7 t-20 -83.61 102.77 12.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.947 0.403 . . . . 0.0 110.676 -179.482 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -100.25 7.08 44.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.316 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.754 ' O ' HD12 ' A' ' 13' ' ' ILE . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.098 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.754 HD12 ' O ' ' A' ' 11' ' ' PHE . 1.5 mt . . . . . 0 N--CA 1.451 -0.408 0 CA-C-O 120.884 0.373 . . . . 0.0 110.369 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.469 ' CG ' ' O ' ' A' ' 13' ' ' ILE . 75.1 m-20 -168.81 -34.74 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.343 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.857 HG22 ' N ' ' A' ' 16' ' ' CYS . 0.7 OUTLIER -164.71 -87.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.016 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.857 ' N ' HG22 ' A' ' 15' ' ' VAL . 1.2 m . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.942 -1.027 . . . . 0.0 110.447 -179.603 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' PHE . . . . . 0.975 ' CZ ' HG13 ' A' ' 4' ' ' VAL . 5.6 t80 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.872 0.367 . . . . 0.0 110.621 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.1 m -139.25 102.25 4.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.834 179.69 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.975 HG13 ' CZ ' ' A' ' 2' ' ' PHE . 1.1 m -64.42 -44.97 97.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.721 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.511 ' O ' ' N ' ' A' ' 8' ' ' ALA . 21.0 mm100 -142.86 107.45 4.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.196 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.638 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.997 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.511 ' N ' ' O ' ' A' ' 5' ' ' GLN . . . . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.744 0.307 . . . . 0.0 110.46 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.675 ' ND2' ' CE2' ' A' ' 2' ' ' PHE . 53.7 t-20 -87.93 101.16 13.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.7 -179.584 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.548 ' HD2' ' N ' ' A' ' 10' ' ' ARG . 2.6 mmm-85 -106.19 38.65 1.98 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.917 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.823 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 16.0 p90 . . . . . 0 CA--C 1.51 -0.568 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.185 -179.569 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.529 HG13 ' O ' ' A' ' 9' ' ' ASN . 0.5 OUTLIER . . . . . 0 N--CA 1.455 -0.176 0 CA-C-O 120.827 0.346 . . . . 0.0 110.885 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.558 ' O ' ' HB ' ' A' ' 15' ' ' VAL . 99.1 m-20 -63.0 -40.62 98.34 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.522 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.769 HG22 ' O ' ' A' ' 15' ' ' VAL . 2.6 p 157.67 9.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.493 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.823 ' SG ' ' O ' ' A' ' 11' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 118.128 -0.939 . . . . 0.0 110.954 -179.711 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 2' ' ' PHE . . . . . 0.583 ' CZ ' ' CG1' ' A' ' 4' ' ' VAL . 7.4 t80 . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.88 0.371 . . . . 0.0 110.594 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -122.42 134.4 54.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.603 179.752 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.583 ' CG1' ' CZ ' ' A' ' 2' ' ' PHE . 13.2 m -118.7 130.28 73.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.267 179.625 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.572 ' HG3' ' HB3' ' A' ' 8' ' ' ALA . 2.6 pt20 38.04 71.9 0.14 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.755 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.676 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 179.79 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.572 ' HB3' ' HG3' ' A' ' 5' ' ' GLN . . . . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.71 0.291 . . . . 0.0 110.778 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.672 ' O ' ' CD2' ' A' ' 11' ' ' PHE . 2.2 t-20 -73.61 -84.79 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.239 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.6 ' HD2' ' N ' ' A' ' 10' ' ' ARG . 2.0 mpt_? 59.88 45.2 12.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.979 0.418 . . . . 0.0 111.178 179.081 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.714 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 5.9 p90 . . . . . 0 C--N 1.327 -0.412 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.152 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.711 ' N ' HD13 ' A' ' 13' ' ' ILE . 1.5 mm . . . . . 0 N--CA 1.461 0.102 0 CA-C-O 120.561 0.22 . . . . 0.0 111.25 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.917 ' O ' HG13 ' A' ' 15' ' ' VAL . 55.1 t30 -63.59 -40.78 97.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.813 0.339 . . . . 0.0 110.755 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.917 HG13 ' O ' ' A' ' 14' ' ' ASN . 0.0 OUTLIER 171.93 -49.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.988 0.423 . . . . 0.0 110.162 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.714 ' SG ' ' O ' ' A' ' 11' ' ' PHE . 1.2 m . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.874 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' PHE . . . . . 0.672 ' CD2' ' ND2' ' A' ' 9' ' ' ASN . 5.6 t80 . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.807 0.336 . . . . 0.0 110.543 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.584 ' C ' ' O ' ' A' ' 2' ' ' PHE . 0.8 OUTLIER -24.58 98.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.142 -179.503 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.587 HG13 ' CZ ' ' A' ' 2' ' ' PHE . 11.5 m -63.45 -44.66 98.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.597 -179.302 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.571 ' HG3' ' HB3' ' A' ' 8' ' ' ALA . 1.6 pt20 -153.36 112.51 3.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.536 -179.704 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.664 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 -179.998 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.571 ' HB3' ' HG3' ' A' ' 5' ' ' GLN . . . . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.799 0.333 . . . . 0.0 110.526 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.672 ' ND2' ' CD2' ' A' ' 2' ' ' PHE . 80.2 m-20 -56.37 -86.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.568 -179.551 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.574 ' O ' ' HB3' ' A' ' 11' ' ' PHE . 3.4 mpt_? 62.54 50.32 3.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.557 -179.571 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.625 ' CD1' ' C ' ' A' ' 11' ' ' PHE . 2.2 p90 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.564 -178.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.795 ' N ' HD13 ' A' ' 13' ' ' ILE . 1.6 mm . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.827 0.346 . . . . 0.0 110.551 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.709 ' C ' HG23 ' A' ' 15' ' ' VAL . 65.3 t30 70.8 33.71 2.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.545 -179.338 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.709 HG23 ' C ' ' A' ' 14' ' ' ASN . 3.8 t 87.82 112.07 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.485 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.65 ' OXT' ' SG ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.221 -0.432 0 CA-C-O 117.999 -1.0 . . . . 0.0 110.515 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 2' ' ' PHE . . . . . 0.876 ' CZ ' HG13 ' A' ' 4' ' ' VAL . 13.4 t80 . . . . . 0 N--CA 1.457 -0.115 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.583 ' O ' HG23 ' A' ' 4' ' ' VAL . 0.1 OUTLIER -132.88 29.59 4.1 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.003 179.86 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.876 HG13 ' CZ ' ' A' ' 2' ' ' PHE . 0.9 OUTLIER 40.07 -104.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 C-N-CA 120.434 -0.507 . . . . 0.0 110.273 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.414 ' H ' HG23 ' A' ' 4' ' ' VAL . 82.6 mm-40 -86.08 -72.78 0.48 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.72 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.68 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.857 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.174 0 CA-C-O 120.848 0.356 . . . . 0.0 110.106 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.657 ' O ' ' CD2' ' A' ' 11' ' ' PHE . 3.0 m120 -54.1 -88.45 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.454 -179.515 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.528 ' HD2' ' N ' ' A' ' 10' ' ' ARG . 9.3 mpt_? 61.1 44.14 10.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.857 0.361 . . . . 0.0 111.287 179.431 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.7 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 3.3 p90 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.875 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.563 ' HA ' ' ND2' ' A' ' 9' ' ' ASN . 1.3 mp . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.922 0.392 . . . . 0.0 110.584 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.52 ' O ' ' CB ' ' A' ' 15' ' ' VAL . 60.9 t-20 59.09 38.49 23.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.295 -179.48 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.584 ' N ' ' HB3' ' A' ' 2' ' ' PHE . 0.4 OUTLIER 83.6 121.81 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.106 -179.911 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.7 ' SG ' ' O ' ' A' ' 11' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 118.024 -0.989 . . . . 0.0 110.78 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 93.3 t80 . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.654 ' CZ ' HG13 ' A' ' 4' ' ' VAL . 5.0 t80 -91.41 86.21 6.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.633 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.3 m -94.46 111.76 23.52 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.456 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.654 HG13 ' CZ ' ' A' ' 2' ' ' PHE . 0.9 OUTLIER -64.49 -41.92 93.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.977 179.759 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.422 ' HG2' ' C ' ' A' ' 4' ' ' VAL . 1.8 pt20 -168.15 97.32 0.43 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.57 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 68.64 23.45 75.46 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' DBB . . . . . 0.586 ' HG2' ' H ' ' A' ' 9' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -106.62 27.1 9.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.543 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.665 ' O ' ' CD2' ' A' ' 11' ' ' PHE . 14.0 t-20 -55.04 -84.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.441 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.646 ' HD2' ' N ' ' A' ' 10' ' ' ARG . 7.0 mmm180 61.2 49.5 5.48 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.881 0.372 . . . . 0.0 110.769 179.493 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.845 ' C ' ' HG2' ' A' ' 12' ' ' DBB . 2.8 p90 171.47 -16.06 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.443 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' DBB . . . . . 0.845 ' HG2' ' C ' ' A' ' 11' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.74 HD12 ' HG3' ' A' ' 12' ' ' DBB . 0.8 OUTLIER -35.76 -46.93 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.083 -179.025 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.551 ' O ' ' HB ' ' A' ' 15' ' ' VAL . 90.5 m-20 -61.51 -40.68 95.47 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.395 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.717 HG22 ' O ' ' A' ' 15' ' ' VAL . 2.4 p 159.18 4.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.728 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.738 ' SG ' ' O ' ' A' ' 11' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--O 1.219 -0.518 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.832 -179.517 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.664 ' CZ ' ' CG1' ' A' ' 4' ' ' VAL . 6.6 t80 -112.88 114.38 26.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.622 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.566 ' HA ' ' HG1' ' A' ' 7' ' ' DBB . 0.0 OUTLIER -127.86 129.72 47.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.505 179.765 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.664 ' CG1' ' CZ ' ' A' ' 2' ' ' PHE . 20.9 m -116.34 129.45 72.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.783 0.325 . . . . 0.0 110.573 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.716 ' HG3' ' HB3' ' A' ' 8' ' ' ALA . 3.6 pt20 37.91 76.42 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.51 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.595 ' O ' ' C ' ' A' ' 7' ' ' DBB . . . 58.99 73.23 0.49 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' DBB . . . . . 0.975 ' HG2' ' H ' ' A' ' 9' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.716 ' HB3' ' HG3' ' A' ' 5' ' ' GLN . . . -118.79 28.62 8.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.586 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.975 ' H ' ' HG2' ' A' ' 7' ' ' DBB . 2.0 t-20 -97.59 68.9 2.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.604 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.573 ' O ' ' CD1' ' A' ' 13' ' ' ILE . 3.5 mpt_? -68.0 -38.99 83.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.613 179.455 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 1.107 ' O ' ' HG2' ' A' ' 12' ' ' DBB . 31.1 p90 -63.84 -55.52 22.27 Favored 'General case' 0 C--O 1.219 -0.507 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.583 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' DBB . . . . . 1.107 ' HG2' ' O ' ' A' ' 11' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.708 ' O ' HG22 ' A' ' 13' ' ' ILE . 49.8 mt 48.63 11.3 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.244 -178.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.592 ' H ' ' C ' ' A' ' 12' ' ' DBB . 62.6 t30 174.67 -39.12 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.889 0.376 . . . . 0.0 110.497 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.567 ' O ' HG13 ' A' ' 15' ' ' VAL . 3.7 p 171.82 100.21 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.641 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.661 ' SG ' ' C ' ' A' ' 11' ' ' PHE . 1.1 m . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.565 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 . . . . . 0 N--CA 1.49 1.525 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.804 ' CE1' HG13 ' A' ' 4' ' ' VAL . 2.6 t80 -105.02 118.4 36.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.596 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.438 ' N ' ' CD1' ' A' ' 2' ' ' PHE . 0.1 OUTLIER -134.03 128.82 35.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.149 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.804 HG13 ' CE1' ' A' ' 2' ' ' PHE . 2.4 m -107.13 113.01 42.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.397 179.495 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.522 ' HB2' ' O ' ' A' ' 4' ' ' VAL . 86.5 mm-40 77.48 27.85 0.61 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.494 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 100.43 -18.99 54.52 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' DBB . . . . . 0.738 ' HG2' ' H ' ' A' ' 9' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -112.51 41.02 2.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.444 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.738 ' H ' ' HG2' ' A' ' 7' ' ' DBB . 9.1 t-20 -62.96 -80.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.513 ' O ' ' HB3' ' A' ' 11' ' ' PHE . 2.9 mpt_? 59.67 43.63 15.37 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.515 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.658 ' CD2' ' O ' ' A' ' 9' ' ' ASN . 2.1 p90 172.04 4.97 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.7 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' DBB . . . . . 0.98 ' HG3' HD12 ' A' ' 13' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.98 HD12 ' HG3' ' A' ' 12' ' ' DBB . 1.5 mp -32.16 -65.45 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.602 -178.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.936 ' O ' HG23 ' A' ' 15' ' ' VAL . 50.6 t-20 -64.22 -40.71 96.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.582 179.767 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.936 HG23 ' O ' ' A' ' 14' ' ' ASN . 1.5 t 162.18 93.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.278 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.656 ' SG ' ' O ' ' A' ' 11' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.667 179.61 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.722 ' CE1' ' SG ' ' A' ' 3' ' ' CYS . 31.0 p90 . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.857 ' CE1' HG13 ' A' ' 4' ' ' VAL . 1.7 t80 -87.72 115.78 25.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.78 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.722 ' SG ' ' CE1' ' A' ' 1' ' ' PHE . 0.1 OUTLIER -136.65 133.29 36.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.463 179.849 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.857 HG13 ' CE1' ' A' ' 2' ' ' PHE . 4.4 m -119.88 128.02 75.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 120.884 0.373 . . . . 0.0 110.656 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 58.3 mm-40 50.91 58.33 5.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.427 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 7' ' ' DBB . . . 64.9 67.66 1.95 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.797 -0.921 . . . . 0.0 110.797 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' DBB . . . . . 0.702 ' HG2' ' H ' ' A' ' 9' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.594 ' HB3' ' O ' ' A' ' 4' ' ' VAL . . . -122.62 39.11 4.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.456 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.702 ' H ' ' HG2' ' A' ' 7' ' ' DBB . 12.3 t-20 -61.75 -87.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.8 -179.666 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.556 ' HD2' ' N ' ' A' ' 10' ' ' ARG . 3.4 mpt_? 66.1 35.17 6.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.441 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.878 ' C ' ' HG2' ' A' ' 12' ' ' DBB . 26.9 p90 -173.45 -12.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.668 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' DBB . . . . . 0.878 ' HG2' ' C ' ' A' ' 11' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.76 HD12 ' HG3' ' A' ' 12' ' ' DBB . 0.8 OUTLIER -47.31 82.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.542 -179.638 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.958 ' O ' HG13 ' A' ' 15' ' ' VAL . 1.1 m120 151.91 -51.98 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.628 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.958 HG13 ' O ' ' A' ' 14' ' ' ASN . 0.0 OUTLIER 179.37 -14.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.628 -179.907 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.682 ' SG ' ' O ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.217 -0.612 0 CA-C-O 118.049 -0.977 . . . . 0.0 110.735 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 55.6 p90 . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.761 ' CE2' HG13 ' A' ' 4' ' ' VAL . 0.9 OUTLIER -103.29 114.12 28.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.446 179.854 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.544 ' N ' ' HD2' ' A' ' 2' ' ' PHE . 0.0 OUTLIER -134.3 127.53 31.97 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.256 179.522 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.761 HG13 ' CE2' ' A' ' 2' ' ' PHE . 19.8 m -116.57 128.92 73.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.651 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 75.2 mm-40 50.05 67.58 0.89 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.69 179.271 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 57.97 59.69 10.34 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' DBB . . . . . 0.935 ' HG2' ' H ' ' A' ' 9' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.715 ' HB3' ' O ' ' A' ' 4' ' ' VAL . . . -117.21 30.04 7.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.77 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.951 ' O ' HD13 ' A' ' 13' ' ' ILE . 64.2 t-20 -96.0 101.73 13.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.382 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.611 ' NH1' ' CA ' ' A' ' 8' ' ' ALA . 5.4 mmt-85 -99.48 -10.28 22.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.929 0.395 . . . . 0.0 110.906 -179.694 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.935 ' O ' ' HG2' ' A' ' 12' ' ' DBB . 18.3 p90 -91.44 -51.94 5.03 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.989 -179.531 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' DBB . . . . . 0.935 ' HG2' ' O ' ' A' ' 11' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.951 HD13 ' O ' ' A' ' 9' ' ' ASN . 6.7 mm 65.94 -7.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.422 -179.237 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.611 ' H ' ' C ' ' A' ' 12' ' ' DBB . 74.7 m-20 -171.04 -33.72 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.969 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.626 ' O ' HG13 ' A' ' 15' ' ' VAL . 6.7 p 173.03 99.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.454 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.643 ' SG ' ' O ' ' A' ' 11' ' ' PHE . 0.8 OUTLIER . . . . . 0 C--O 1.219 -0.5 0 CA-C-O 118.075 -0.964 . . . . 0.0 110.67 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.532 ' O ' ' CD2' ' A' ' 1' ' ' PHE . 75.2 t80 . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.921 ' CZ ' HG13 ' A' ' 4' ' ' VAL . 1.4 t80 -111.82 122.55 48.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.762 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.56 ' N ' ' CD1' ' A' ' 2' ' ' PHE . 1.7 m -125.25 138.19 54.1 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.381 179.473 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.921 HG13 ' CZ ' ' A' ' 2' ' ' PHE . 0.7 OUTLIER -105.63 -9.78 10.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.666 -179.908 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.52 ' HG2' ' C ' ' A' ' 4' ' ' VAL . 8.3 pt20 165.6 88.34 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.802 179.79 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 73.84 20.52 79.75 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.79 -0.924 . . . . 0.0 110.79 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' DBB . . . . . 0.757 ' HG2' ' H ' ' A' ' 9' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.444 ' HB1' ' NH1' ' A' ' 10' ' ' ARG . . . -104.25 30.42 5.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.505 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.796 ' ND2' ' CE1' ' A' ' 11' ' ' PHE . 1.6 t-20 -93.77 74.84 4.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.643 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.592 ' O ' ' CD1' ' A' ' 13' ' ' ILE . 2.0 mmt-85 -69.42 -41.11 76.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.148 0.499 . . . . 0.0 110.749 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.913 ' O ' ' HG2' ' A' ' 12' ' ' DBB . 28.5 p90 -63.39 -52.75 60.32 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.835 -179.377 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' DBB . . . . . 0.913 ' HG2' ' O ' ' A' ' 11' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.737 ' O ' HG22 ' A' ' 13' ' ' ILE . 50.7 mt 46.46 15.18 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.607 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.568 ' N ' ' C ' ' A' ' 12' ' ' DBB . 0.5 OUTLIER 171.51 -41.1 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.328 -179.889 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.632 ' O ' HG13 ' A' ' 15' ' ' VAL . 7.7 p 175.22 103.52 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.396 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.665 ' SG ' ' O ' ' A' ' 11' ' ' PHE . 0.9 OUTLIER . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.577 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.445 ' CG ' ' O ' ' A' ' 1' ' ' PHE . 88.8 t80 . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.579 ' CE2' HG13 ' A' ' 4' ' ' VAL . 0.9 OUTLIER -115.64 89.46 3.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.79 -179.935 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -113.89 130.4 56.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.669 179.6 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.896 HG22 ' HB3' ' A' ' 9' ' ' ASN . 33.2 m -121.44 129.29 75.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.385 179.658 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.442 ' HG2' ' C ' ' A' ' 4' ' ' VAL . 18.3 mm-40 55.3 55.72 7.17 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.806 179.45 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 64.89 62.75 4.72 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' DBB . . . . . 0.826 ' HG2' ' N ' ' A' ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.826 ' N ' ' HG2' ' A' ' 7' ' ' DBB . . . -171.55 46.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.503 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.896 ' HB3' HG22 ' A' ' 4' ' ' VAL . 49.5 p-10 -97.77 49.43 1.03 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.342 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.515 ' O ' ' HB3' ' A' ' 11' ' ' PHE . 0.6 OUTLIER -55.79 82.72 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.236 -179.807 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.794 ' C ' ' HG2' ' A' ' 12' ' ' DBB . 1.7 p90 164.47 2.58 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.714 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' DBB . . . . . 0.794 ' HG2' ' C ' ' A' ' 11' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.827 ' N ' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER 45.47 -81.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.331 179.745 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.599 ' N ' ' O ' ' A' ' 12' ' ' DBB . 96.1 m-20 -51.86 -74.01 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.619 -179.572 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.592 HG22 ' O ' ' A' ' 14' ' ' ASN . 2.3 t -160.29 62.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.435 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.697 ' SG ' ' O ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 117.881 -1.057 . . . . 0.0 111.03 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.552 ' CD1' ' O ' ' A' ' 1' ' ' PHE . 52.8 p90 . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.99 ' CZ ' HG13 ' A' ' 4' ' ' VAL . 3.2 t80 -114.95 122.79 47.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.648 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.446 ' N ' ' CD1' ' A' ' 2' ' ' PHE . 1.2 m -144.07 103.65 4.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.778 179.771 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.99 HG13 ' CZ ' ' A' ' 2' ' ' PHE . 0.6 OUTLIER -64.29 -43.15 97.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.583 179.711 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.599 ' HB2' ' HB3' ' A' ' 8' ' ' ALA . 27.4 mm100 -142.35 102.36 4.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.591 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 41.11 18.92 0.02 OUTLIER Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.874 -0.891 . . . . 0.0 110.874 -179.485 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' DBB . . . . . 0.574 ' HG2' ' H ' ' A' ' 9' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.599 ' HB3' ' HB2' ' A' ' 5' ' ' GLN . . . -108.28 43.57 1.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.547 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.699 ' OD1' HG22 ' A' ' 4' ' ' VAL . 9.5 m-20 -67.17 -81.98 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.609 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.569 ' HB2' ' O ' ' A' ' 9' ' ' ASN . 2.7 mpt_? 69.86 11.65 7.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.568 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.873 ' C ' ' HG2' ' A' ' 12' ' ' DBB . 37.4 p90 -151.29 -16.13 0.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.606 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' DBB . . . . . 0.982 ' HG3' HD12 ' A' ' 13' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.982 HD12 ' HG3' ' A' ' 12' ' ' DBB . 1.1 mp -42.69 -24.12 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.583 -179.591 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.532 ' O ' ' OD1' ' A' ' 14' ' ' ASN . 51.9 p-10 -123.79 76.99 1.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.561 179.766 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.6 HG22 ' HB2' ' A' ' 2' ' ' PHE . 3.3 t 41.56 71.69 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.598 -179.711 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.681 ' SG ' ' O ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.07 -0.967 . . . . 0.0 110.502 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 87.3 t80 . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.65 ' CE1' ' CG1' ' A' ' 4' ' ' VAL . 4.9 t80 -126.65 88.3 2.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.568 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -100.1 131.16 46.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.635 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.65 ' CG1' ' CE1' ' A' ' 2' ' ' PHE . 24.6 m -121.33 129.43 75.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.362 179.538 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 42.4 mm-40 47.7 66.6 0.99 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.766 179.562 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.471 ' O ' ' C ' ' A' ' 7' ' ' DBB . . . 60.83 67.88 1.93 Allowed Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' DBB . . . . . 0.829 ' HG2' ' H ' ' A' ' 9' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.55 ' HB3' ' O ' ' A' ' 4' ' ' VAL . . . -105.9 16.71 24.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.53 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.829 ' H ' ' HG2' ' A' ' 7' ' ' DBB . 0.5 OUTLIER -63.67 -34.25 77.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.615 -179.824 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.624 ' O ' ' CD1' ' A' ' 13' ' ' ILE . 6.8 mpt_? 33.09 -91.34 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.943 0.401 . . . . 0.0 110.845 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.912 ' O ' ' HG2' ' A' ' 12' ' ' DBB . 34.5 p90 -33.87 -51.29 0.4 Allowed 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.773 -179.801 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' DBB . . . . . 0.912 ' HG2' ' O ' ' A' ' 11' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.762 ' O ' HG22 ' A' ' 13' ' ' ILE . 10.0 mt 49.6 10.7 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.905 -179.167 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.585 ' OD1' ' N ' ' A' ' 15' ' ' VAL . 13.2 p30 176.29 -39.74 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.93 0.395 . . . . 0.0 110.711 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.589 ' O ' HG13 ' A' ' 15' ' ' VAL . 4.7 p 173.07 101.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.242 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.679 ' SG ' ' O ' ' A' ' 11' ' ' PHE . 0.9 OUTLIER . . . . . 0 C--O 1.221 -0.403 0 CA-C-O 117.926 -1.035 . . . . 0.0 110.794 -179.613 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 42.5 t80 . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.826 ' CZ ' HG13 ' A' ' 4' ' ' VAL . 35.4 t80 -118.07 86.6 2.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.633 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.2 m -104.74 104.06 13.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.681 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.826 HG13 ' CZ ' ' A' ' 2' ' ' PHE . 2.8 m -64.67 -42.33 94.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.788 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.602 ' HG3' HG23 ' A' ' 4' ' ' VAL . 0.8 OUTLIER -142.18 102.39 4.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.473 -179.6 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 39.85 20.33 0.02 OUTLIER Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.761 -0.936 . . . . 0.0 110.761 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' DBB . . . . . 0.738 ' HG2' ' H ' ' A' ' 9' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.498 ' N ' ' O ' ' A' ' 5' ' ' GLN . . . -100.28 38.29 1.52 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.557 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.738 ' H ' ' HG2' ' A' ' 7' ' ' DBB . 2.3 m120 -68.45 -95.75 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.098 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.501 ' HB2' ' O ' ' A' ' 9' ' ' ASN . 3.8 mpt_? 65.17 44.08 3.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.573 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.666 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 9.8 p90 172.06 -4.62 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.527 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' DBB . . . . . 0.876 ' HG3' HD12 ' A' ' 13' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.876 HD12 ' HG3' ' A' ' 12' ' ' DBB . 3.5 mp -52.34 -47.58 45.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.525 -177.803 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.573 ' O ' ' HB ' ' A' ' 15' ' ' VAL . 76.0 m-20 -63.64 -41.91 98.19 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.447 179.382 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.878 HG22 ' O ' ' A' ' 15' ' ' VAL . 3.4 p 158.05 23.54 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-O 121.142 0.496 . . . . 0.0 110.131 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.666 ' SG ' ' O ' ' A' ' 11' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--O 1.221 -0.436 0 CA-C-O 117.963 -1.018 . . . . 0.0 111.212 -179.402 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 10.0 t80 . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.784 ' CE1' HG13 ' A' ' 4' ' ' VAL . 1.8 t80 -111.39 111.55 22.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.432 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -126.03 132.07 52.06 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.734 179.67 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.784 HG13 ' CE1' ' A' ' 2' ' ' PHE . 11.6 m -114.83 106.91 21.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.359 179.47 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.519 ' HB2' ' O ' ' A' ' 4' ' ' VAL . 81.5 mm-40 78.6 48.57 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.806 179.516 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 72.37 24.88 75.61 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.115 -0.794 . . . . 0.0 111.115 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' DBB . . . . . 0.556 ' HG2' ' H ' ' A' ' 9' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.747 ' HB3' ' O ' ' A' ' 4' ' ' VAL . . . -147.02 35.55 0.91 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.548 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.731 ' O ' ' CD2' ' A' ' 11' ' ' PHE . 28.2 m-20 -63.61 -71.31 0.17 Allowed 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.892 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.77 ' CA ' HD11 ' A' ' 13' ' ' ILE . 3.2 mpt_? 76.01 -24.65 0.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.691 -179.259 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.941 ' O ' ' HG2' ' A' ' 12' ' ' DBB . 23.0 p90 -102.74 -52.64 3.03 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.907 179.589 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' DBB . . . . . 0.941 ' HG2' ' O ' ' A' ' 11' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.77 HD11 ' CA ' ' A' ' 10' ' ' ARG . 8.3 mm 47.2 15.06 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.416 -179.357 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.925 ' O ' HG13 ' A' ' 15' ' ' VAL . 64.0 t30 173.93 -39.5 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.45 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.925 HG13 ' O ' ' A' ' 14' ' ' ASN . 0.0 OUTLIER 168.38 89.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.396 -179.937 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.653 ' SG ' ' O ' ' A' ' 11' ' ' PHE . 0.8 OUTLIER . . . . . 0 C--O 1.221 -0.421 0 CA-C-O 117.93 -1.033 . . . . 0.0 110.662 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 90.7 t80 . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.66 ' CE2' HG13 ' A' ' 4' ' ' VAL . 35.7 t80 -71.68 -22.76 61.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.594 179.729 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.608 ' C ' ' O ' ' A' ' 2' ' ' PHE . 1.3 m -17.01 106.09 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.044 -179.219 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.66 HG13 ' CE2' ' A' ' 2' ' ' PHE . 3.6 m -64.33 -41.9 93.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.016 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.673 ' HB2' ' HB3' ' A' ' 8' ' ' ALA . 3.5 mt-30 -138.62 84.58 2.03 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.866 -0.334 . . . . 0.0 110.422 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 50.56 20.06 3.59 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.412 -1.075 . . . . 0.0 110.412 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' DBB . . . . . 0.582 ' CG ' ' OD1' ' A' ' 9' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.673 ' HB3' ' HB2' ' A' ' 5' ' ' GLN . . . -107.5 50.25 0.78 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.1 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.645 ' CB ' ' CZ ' ' A' ' 11' ' ' PHE . 0.6 OUTLIER -129.61 107.09 9.18 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.556 -0.458 . . . . 0.0 111.096 179.799 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.81 ' O ' HD11 ' A' ' 13' ' ' ILE . 10.2 mpt_? -65.2 -39.16 92.45 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.653 179.575 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.956 ' O ' ' HG2' ' A' ' 12' ' ' DBB . 35.0 p90 -60.66 -48.17 82.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.115 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' DBB . . . . . 0.956 ' HG2' ' O ' ' A' ' 11' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.81 HD11 ' O ' ' A' ' 10' ' ' ARG . 2.0 mp 71.11 -42.91 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.193 -179.328 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.655 ' C ' HG12 ' A' ' 15' ' ' VAL . 53.1 p-10 -125.32 -24.0 4.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.183 179.365 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.655 HG12 ' C ' ' A' ' 14' ' ' ASN . 2.1 p 154.35 97.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.232 0.161 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.726 179.74 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.645 ' SG ' ' O ' ' A' ' 11' ' ' PHE . 1.0 OUTLIER . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.654 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.661 ' O ' ' C ' ' A' ' 3' ' ' CYS . 0.8 OUTLIER -61.07 -48.01 83.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.238 179.8 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.661 ' C ' ' O ' ' A' ' 2' ' ' PHE . 0.8 OUTLIER 0.98 93.65 0.01 OUTLIER 'General case' 0 C--O 1.232 0.181 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.799 -179.117 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.653 HG12 ' CE2' ' A' ' 2' ' ' PHE . 31.2 m -61.47 -45.28 98.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 -179.224 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.603 ' NE2' ' O ' ' A' ' 4' ' ' VAL . 70.5 mm-40 -144.29 112.03 6.17 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.659 -0.416 . . . . 0.0 110.799 -179.625 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 5' ' ' GLN . . . 38.41 22.2 0.01 OUTLIER Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' DBB . . . . . 0.591 ' N ' ' O ' ' A' ' 5' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.481 ' N ' ' O ' ' A' ' 5' ' ' GLN . . . -97.11 -3.44 41.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.736 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.688 ' ND2' ' C ' ' A' ' 12' ' ' DBB . 39.2 t-20 -33.63 -84.09 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.604 -179.636 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.582 ' NH1' ' O ' ' A' ' 7' ' ' DBB . 9.0 mpt_? 61.53 50.81 4.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.002 0.43 . . . . 0.0 110.797 179.445 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.645 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 2.0 p90 170.98 5.93 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.624 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' DBB . . . . . 0.688 ' C ' ' ND2' ' A' ' 9' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.805 ' N ' HD13 ' A' ' 13' ' ' ILE . 1.1 mm -42.81 -55.68 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.349 -179.019 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.619 ' C ' HG12 ' A' ' 15' ' ' VAL . 88.2 m-20 -64.53 -41.17 96.55 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.44 179.244 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.841 HG22 ' O ' ' A' ' 15' ' ' VAL . 2.3 p 155.34 65.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.226 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.645 ' SG ' ' O ' ' A' ' 11' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--O 1.22 -0.452 0 CA-C-O 118.019 -0.991 . . . . 0.0 111.089 -179.717 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.64 ' O ' ' C ' ' A' ' 3' ' ' CYS . 32.5 t80 -61.26 -45.37 94.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.605 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.64 ' C ' ' O ' ' A' ' 2' ' ' PHE . 1.7 m -5.5 105.96 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.517 -179.633 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.533 HG13 ' HE2' ' A' ' 2' ' ' PHE . 11.1 m -64.99 -41.05 91.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.467 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.456 ' HG2' HG23 ' A' ' 4' ' ' VAL . 2.8 pt20 -161.59 101.87 1.19 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.593 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 55.58 41.62 82.22 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' DBB . . . . . 0.52 ' HG2' ' H ' ' A' ' 9' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -137.57 34.4 2.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.641 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.598 ' O ' ' N ' ' A' ' 13' ' ' ILE . 48.4 p-10 -106.12 98.06 7.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.772 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.794 ' O ' HD11 ' A' ' 13' ' ' ILE . 10.0 mmt85 -66.02 -39.66 90.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.38 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 1.135 ' O ' ' HG2' ' A' ' 12' ' ' DBB . 13.8 p90 -60.77 -53.9 51.7 Favored 'General case' 0 C--O 1.219 -0.538 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.533 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' DBB . . . . . 1.135 ' HG2' ' O ' ' A' ' 11' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.794 HD11 ' O ' ' A' ' 10' ' ' ARG . 1.3 mp 57.14 8.78 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.315 -178.026 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.556 ' CG ' HG13 ' A' ' 15' ' ' VAL . 0.0 OUTLIER 162.05 -15.99 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.46 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.687 HG23 ' HB2' ' A' ' 12' ' ' DBB . 23.8 m -147.02 -121.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.468 -179.648 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.665 ' SG ' ' C ' ' A' ' 11' ' ' PHE . 0.7 OUTLIER . . . . . 0 C--O 1.214 -0.771 0 CA-C-O 118.02 -0.991 . . . . 0.0 110.846 179.8 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.805 ' HB2' HG22 ' A' ' 15' ' ' VAL . 3.2 t80 -100.61 86.26 3.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.544 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.435 ' HA ' ' HG1' ' A' ' 7' ' ' DBB . 0.1 OUTLIER -103.16 132.72 49.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.769 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.957 HG22 ' HB2' ' A' ' 9' ' ' ASN . 21.8 m -118.54 128.63 75.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.279 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.695 ' HG3' ' HB3' ' A' ' 8' ' ' ALA . 4.5 pt20 39.13 70.96 0.18 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.76 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.658 ' O ' ' C ' ' A' ' 7' ' ' DBB . . . 63.72 77.98 0.21 Allowed Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' DBB . . . . . 0.89 ' HG2' ' H ' ' A' ' 9' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.695 ' HB3' ' HG3' ' A' ' 5' ' ' GLN . . . -105.9 24.92 11.56 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.486 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.957 ' HB2' HG22 ' A' ' 4' ' ' VAL . 1.8 t-20 -88.05 108.88 19.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.562 -179.737 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.546 ' HD2' ' O ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -121.08 15.92 11.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.375 179.836 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.861 ' C ' ' HG2' ' A' ' 12' ' ' DBB . 16.3 p90 -117.66 -21.42 8.52 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.045 -179.6 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' DBB . . . . . 0.861 ' HG2' ' C ' ' A' ' 11' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.828 ' N ' HD13 ' A' ' 13' ' ' ILE . 1.0 OUTLIER -46.83 -34.08 2.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.593 -179.433 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.557 ' O ' ' OD1' ' A' ' 14' ' ' ASN . 24.8 t-20 -103.76 40.69 1.39 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.453 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.805 HG22 ' HB2' ' A' ' 2' ' ' PHE . 8.1 t 69.72 62.6 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.355 -179.794 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.756 ' SG ' ' O ' ' A' ' 11' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 118.007 -0.997 . . . . 0.0 110.732 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.879 ' CZ ' HG13 ' A' ' 4' ' ' VAL . 7.5 t80 -109.41 122.09 46.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.654 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.3 m -135.22 108.36 7.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.741 179.515 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.879 HG13 ' CZ ' ' A' ' 2' ' ' PHE . 1.6 m -64.7 -41.32 91.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.086 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -167.38 98.04 0.5 Allowed 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.693 -0.403 . . . . 0.0 111.03 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 68.78 26.01 74.81 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 179.595 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' DBB . . . . . 0.831 ' HG2' ' H ' ' A' ' 9' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -89.88 4.04 51.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.847 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.831 ' H ' ' HG2' ' A' ' 7' ' ' DBB . 63.7 t-20 -83.61 102.77 12.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.947 0.403 . . . . 0.0 110.676 -179.482 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -100.25 7.08 44.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.316 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.895 ' O ' ' HG2' ' A' ' 12' ' ' DBB . 0.8 OUTLIER -114.7 -75.0 0.59 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.098 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' DBB . . . . . 0.895 ' HG2' ' O ' ' A' ' 11' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.754 HD12 ' O ' ' A' ' 11' ' ' PHE . 1.5 mt 47.2 13.9 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 CA-C-N 114.685 -1.143 . . . . 0.0 110.369 -179.403 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.576 ' N ' ' C ' ' A' ' 12' ' ' DBB . 75.1 m-20 -168.81 -34.74 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.343 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.857 HG22 ' N ' ' A' ' 16' ' ' CYS . 0.7 OUTLIER -164.71 -87.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.016 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.857 ' N ' HG22 ' A' ' 15' ' ' VAL . 1.2 m . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.942 -1.027 . . . . 0.0 110.447 -179.603 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.558 ' O ' ' CD2' ' A' ' 1' ' ' PHE . 81.6 t80 . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.975 ' CZ ' HG13 ' A' ' 4' ' ' VAL . 5.6 t80 -107.1 117.36 33.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.621 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.1 m -139.25 102.25 4.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.834 179.69 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.975 HG13 ' CZ ' ' A' ' 2' ' ' PHE . 1.1 m -64.42 -44.97 97.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.721 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.592 ' O ' ' N ' ' A' ' 7' ' ' DBB . 21.0 mm100 -142.86 107.45 4.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.196 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 39.45 20.88 0.02 OUTLIER Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' DBB . . . . . 0.819 ' HG2' ' H ' ' A' ' 9' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.511 ' N ' ' O ' ' A' ' 5' ' ' GLN . . . -98.18 28.04 4.27 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.46 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.819 ' H ' ' HG2' ' A' ' 7' ' ' DBB . 53.7 t-20 -87.93 101.16 13.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.7 -179.584 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.548 ' HD2' ' N ' ' A' ' 10' ' ' ARG . 2.6 mmm-85 -106.19 38.65 1.98 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.917 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.834 ' C ' ' HG2' ' A' ' 12' ' ' DBB . 16.0 p90 -153.05 -14.72 0.15 Allowed 'General case' 0 CA--C 1.51 -0.568 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.185 -179.569 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' DBB . . . . . 1.019 ' HG3' HD12 ' A' ' 13' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 1.019 HD12 ' HG3' ' A' ' 12' ' ' DBB . 0.5 OUTLIER -33.34 -49.14 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.885 -178.652 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.558 ' O ' ' HB ' ' A' ' 15' ' ' VAL . 99.1 m-20 -63.0 -40.62 98.34 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.522 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.769 HG22 ' O ' ' A' ' 15' ' ' VAL . 2.6 p 157.67 9.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.493 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.823 ' SG ' ' O ' ' A' ' 11' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 118.128 -0.939 . . . . 0.0 110.954 -179.711 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.583 ' CZ ' ' CG1' ' A' ' 4' ' ' VAL . 7.4 t80 -115.87 109.81 18.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.594 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.407 ' HA ' ' HG1' ' A' ' 7' ' ' DBB . 0.1 OUTLIER -122.42 134.4 54.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.603 179.752 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.583 ' CG1' ' CZ ' ' A' ' 2' ' ' PHE . 13.2 m -118.7 130.28 73.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.267 179.625 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.572 ' HG3' ' HB3' ' A' ' 8' ' ' ALA . 2.6 pt20 38.04 71.9 0.14 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.755 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.658 ' O ' ' C ' ' A' ' 7' ' ' DBB . . . 62.27 76.58 0.25 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 179.79 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' DBB . . . . . 0.68 ' HG2' ' H ' ' A' ' 9' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.572 ' HB3' ' HG3' ' A' ' 5' ' ' GLN . . . -109.46 46.99 0.96 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.778 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.68 ' H ' ' HG2' ' A' ' 7' ' ' DBB . 2.2 t-20 -73.61 -84.79 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.239 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.6 ' HD2' ' N ' ' A' ' 10' ' ' ARG . 2.0 mpt_? 59.88 45.2 12.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.979 0.418 . . . . 0.0 111.178 179.081 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.85 ' C ' ' HG2' ' A' ' 12' ' ' DBB . 5.9 p90 173.2 -15.94 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.152 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' DBB . . . . . 0.85 ' HG2' ' C ' ' A' ' 11' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.711 ' N ' HD13 ' A' ' 13' ' ' ILE . 1.5 mm -44.56 -51.83 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.25 -178.749 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.917 ' O ' HG13 ' A' ' 15' ' ' VAL . 55.1 t30 -63.59 -40.78 97.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.813 0.339 . . . . 0.0 110.755 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.917 HG13 ' O ' ' A' ' 14' ' ' ASN . 0.0 OUTLIER 171.93 -49.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.988 0.423 . . . . 0.0 110.162 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.714 ' SG ' ' O ' ' A' ' 11' ' ' PHE . 1.2 m . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.874 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.672 ' CD2' ' ND2' ' A' ' 9' ' ' ASN . 5.6 t80 -66.66 -20.96 66.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.543 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.584 ' C ' ' O ' ' A' ' 2' ' ' PHE . 0.8 OUTLIER -24.58 98.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.142 -179.503 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.587 HG13 ' CZ ' ' A' ' 2' ' ' PHE . 11.5 m -63.45 -44.66 98.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.597 -179.302 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.571 ' HG3' ' HB3' ' A' ' 8' ' ' ALA . 1.6 pt20 -153.36 112.51 3.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.536 -179.704 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 45.35 27.77 1.95 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' DBB . . . . . 0.891 ' HG2' ' H ' ' A' ' 9' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.571 ' HB3' ' HG3' ' A' ' 5' ' ' GLN . . . -116.56 31.71 6.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.526 179.655 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.891 ' H ' ' HG2' ' A' ' 7' ' ' DBB . 80.2 m-20 -56.37 -86.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.568 -179.551 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.574 ' O ' ' HB3' ' A' ' 11' ' ' PHE . 3.4 mpt_? 62.54 50.32 3.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.557 -179.571 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.784 ' C ' ' HG2' ' A' ' 12' ' ' DBB . 2.2 p90 168.25 0.25 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.564 -178.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' DBB . . . . . 0.784 ' HG2' ' C ' ' A' ' 11' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.795 ' N ' HD13 ' A' ' 13' ' ' ILE . 1.6 mm -63.16 134.72 28.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.551 -179.429 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.709 ' C ' HG23 ' A' ' 15' ' ' VAL . 65.3 t30 70.8 33.71 2.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.545 -179.338 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.709 HG23 ' C ' ' A' ' 14' ' ' ASN . 3.8 t 87.82 112.07 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.485 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.65 ' OXT' ' SG ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.221 -0.432 0 CA-C-O 117.999 -1.0 . . . . 0.0 110.515 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 87.9 t80 . . . . . 0 N--CA 1.492 1.647 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.876 ' CZ ' HG13 ' A' ' 4' ' ' VAL . 13.4 t80 -110.32 116.95 32.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.123 179.721 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.583 ' O ' HG23 ' A' ' 4' ' ' VAL . 0.1 OUTLIER -132.88 29.59 4.1 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.003 179.86 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.876 HG13 ' CZ ' ' A' ' 2' ' ' PHE . 0.9 OUTLIER 40.07 -104.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 C-N-CA 120.434 -0.507 . . . . 0.0 110.273 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.414 ' H ' HG23 ' A' ' 4' ' ' VAL . 82.6 mm-40 -86.08 -72.78 0.48 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.72 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -131.55 6.19 5.56 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' DBB . . . . . 0.621 ' HG2' ' H ' ' A' ' 9' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -113.42 38.08 3.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.106 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.657 ' O ' ' CD2' ' A' ' 11' ' ' PHE . 3.0 m120 -54.1 -88.45 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.454 -179.515 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.572 ' NH1' ' O ' ' A' ' 7' ' ' DBB . 9.3 mpt_? 61.1 44.14 10.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.857 0.361 . . . . 0.0 111.287 179.431 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.843 ' C ' ' HG2' ' A' ' 12' ' ' DBB . 3.3 p90 174.89 -22.98 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.875 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' DBB . . . . . 0.843 ' HG2' ' C ' ' A' ' 11' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.563 ' HA ' ' ND2' ' A' ' 9' ' ' ASN . 1.3 mp -60.03 133.21 25.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.584 -178.698 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.52 ' O ' ' CB ' ' A' ' 15' ' ' VAL . 60.9 t-20 59.09 38.49 23.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.295 -179.48 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.584 ' N ' ' HB3' ' A' ' 2' ' ' PHE . 0.4 OUTLIER 83.6 121.81 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.106 -179.911 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.706 ' SG ' ' O ' ' A' ' 11' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 118.024 -0.989 . . . . 0.0 110.78 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . 0.654 ' CZ ' HG13 ' A' ' 4' ' ' VAL . 5.0 t80 . . . . . 0 CA--C 1.521 -0.144 0 CA-C-O 120.782 0.325 . . . . 0.0 110.633 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.3 m -94.46 111.76 23.52 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.456 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.654 HG13 ' CZ ' ' A' ' 2' ' ' PHE . 0.9 OUTLIER -64.49 -41.92 93.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.977 179.759 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.422 ' HG2' ' C ' ' A' ' 4' ' ' VAL . 1.8 pt20 -168.15 97.32 0.43 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.57 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.626 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 179.877 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.678 0.275 . . . . 0.0 110.543 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.665 ' O ' ' CD2' ' A' ' 11' ' ' PHE . 14.0 t-20 -55.04 -84.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.441 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.646 ' HD2' ' N ' ' A' ' 10' ' ' ARG . 7.0 mmm180 61.2 49.5 5.48 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.881 0.372 . . . . 0.0 110.769 179.493 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.738 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 2.8 p90 . . . . . 0 C--N 1.326 -0.418 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.443 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.485 HD12 ' N ' ' A' ' 13' ' ' ILE . 0.8 OUTLIER . . . . . 0 N--CA 1.462 0.129 0 CA-C-O 120.675 0.274 . . . . 0.0 111.083 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.551 ' O ' ' HB ' ' A' ' 15' ' ' VAL . 90.5 m-20 -61.51 -40.68 95.47 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.395 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.717 HG22 ' O ' ' A' ' 15' ' ' VAL . 2.4 p 159.18 4.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.728 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.738 ' SG ' ' O ' ' A' ' 11' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--O 1.219 -0.518 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.832 -179.517 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . 0.664 ' CZ ' ' CG1' ' A' ' 4' ' ' VAL . 6.6 t80 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.763 0.316 . . . . 0.0 110.622 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -127.86 129.72 47.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.505 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.664 ' CG1' ' CZ ' ' A' ' 2' ' ' PHE . 20.9 m -116.34 129.45 72.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.783 0.325 . . . . 0.0 110.573 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.716 ' HG3' ' HB3' ' A' ' 8' ' ' ALA . 3.6 pt20 37.91 76.42 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.51 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.652 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.938 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.716 ' HB3' ' HG3' ' A' ' 5' ' ' GLN . . . . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.772 0.32 . . . . 0.0 110.586 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.648 ' HB2' HG22 ' A' ' 4' ' ' VAL . 44.6 t30 -97.59 68.9 2.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.604 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.573 ' O ' ' CD1' ' A' ' 13' ' ' ILE . 3.5 mpt_? -68.0 -38.99 83.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.613 179.455 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.661 ' C ' ' SG ' ' A' ' 16' ' ' CYS . 31.1 p90 . . . . . 0 C--O 1.219 -0.507 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.583 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.708 ' O ' HG22 ' A' ' 13' ' ' ILE . 49.8 mt . . . . . 0 N--CA 1.457 -0.103 0 CA-C-O 120.799 0.333 . . . . 0.0 110.244 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.517 ' HB2' ' O ' ' A' ' 13' ' ' ILE . 62.6 t30 174.67 -39.12 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.889 0.376 . . . . 0.0 110.497 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.567 ' O ' HG13 ' A' ' 15' ' ' VAL . 3.7 p 171.82 100.21 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.641 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.661 ' SG ' ' C ' ' A' ' 11' ' ' PHE . 1.1 m . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.565 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . 0.804 ' CE1' HG13 ' A' ' 4' ' ' VAL . 2.6 t80 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.767 0.318 . . . . 0.0 110.596 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.438 ' N ' ' CD1' ' A' ' 2' ' ' PHE . 0.1 OUTLIER -134.03 128.82 35.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.149 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.804 HG13 ' CE1' ' A' ' 2' ' ' PHE . 2.4 m -107.13 113.01 42.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.397 179.495 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.522 ' HB2' ' O ' ' A' ' 4' ' ' VAL . 86.5 mm-40 77.48 27.85 0.61 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.494 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.69 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.975 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.844 0.354 . . . . 0.0 110.444 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.658 ' O ' ' CD2' ' A' ' 11' ' ' PHE . 9.1 t-20 -62.96 -80.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.513 ' O ' ' HB3' ' A' ' 11' ' ' PHE . 2.9 mpt_? 59.67 43.63 15.37 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.515 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.658 ' CD2' ' O ' ' A' ' 9' ' ' ASN . 2.1 p90 . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.7 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.507 ' HA ' ' CB ' ' A' ' 9' ' ' ASN . 1.5 mp . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.755 0.312 . . . . 0.0 110.602 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.936 ' O ' HG23 ' A' ' 15' ' ' VAL . 50.6 t-20 -64.22 -40.71 96.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.582 179.767 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.936 HG23 ' O ' ' A' ' 14' ' ' ASN . 1.5 t 162.18 93.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.278 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.655 ' SG ' ' O ' ' A' ' 11' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.667 179.61 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . 0.857 ' CE1' HG13 ' A' ' 4' ' ' VAL . 1.7 t80 . . . . . 0 N--CA 1.456 -0.151 0 CA-C-O 120.796 0.331 . . . . 0.0 110.78 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.423 ' N ' ' CD1' ' A' ' 2' ' ' PHE . 0.1 OUTLIER -136.65 133.29 36.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.463 179.849 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.857 HG13 ' CE1' ' A' ' 2' ' ' PHE . 4.4 m -119.88 128.02 75.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 120.884 0.373 . . . . 0.0 110.656 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 58.3 mm-40 50.91 58.33 5.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.427 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.689 0 N-CA-C 110.797 -0.921 . . . . 0.0 110.797 179.985 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.594 ' HB3' ' O ' ' A' ' 4' ' ' VAL . . . . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.74 0.305 . . . . 0.0 110.456 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.665 ' O ' ' CD2' ' A' ' 11' ' ' PHE . 12.3 t-20 -61.75 -87.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.8 -179.666 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.556 ' HD2' ' N ' ' A' ' 10' ' ' ARG . 3.4 mpt_? 66.1 35.17 6.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.441 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.682 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 26.9 p90 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.668 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.619 ' O ' ' CB ' ' A' ' 14' ' ' ASN . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.235 0 CA-C-O 120.772 0.32 . . . . 0.0 110.542 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.958 ' O ' HG13 ' A' ' 15' ' ' VAL . 1.1 m120 151.91 -51.98 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.628 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.958 HG13 ' O ' ' A' ' 14' ' ' ASN . 0.0 OUTLIER 179.37 -14.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.628 -179.907 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.682 ' SG ' ' O ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.217 -0.612 0 CA-C-O 118.049 -0.977 . . . . 0.0 110.735 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . 0.761 ' CE2' HG13 ' A' ' 4' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.747 0.308 . . . . 0.0 110.446 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.544 ' N ' ' HD2' ' A' ' 2' ' ' PHE . 0.0 OUTLIER -134.3 127.53 31.97 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.256 179.522 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.761 HG13 ' CE2' ' A' ' 2' ' ' PHE . 19.8 m -116.57 128.92 73.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.651 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 75.2 mm-40 50.05 67.58 0.89 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.69 179.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.694 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 179.988 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.715 ' HB3' ' O ' ' A' ' 4' ' ' VAL . . . . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.668 0.271 . . . . 0.0 110.77 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.951 ' O ' HD13 ' A' ' 13' ' ' ILE . 64.2 t-20 -96.0 101.73 13.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.382 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.611 ' NH1' ' CA ' ' A' ' 8' ' ' ALA . 5.4 mmt-85 -99.48 -10.28 22.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.929 0.395 . . . . 0.0 110.906 -179.694 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.643 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 18.3 p90 . . . . . 0 C--N 1.324 -0.514 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.989 -179.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.951 HD13 ' O ' ' A' ' 9' ' ' ASN . 6.7 mm . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.827 0.346 . . . . 0.0 110.422 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.589 ' ND2' ' O ' ' A' ' 13' ' ' ILE . 7.4 m120 -171.04 -33.72 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.969 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.626 ' O ' HG13 ' A' ' 15' ' ' VAL . 6.7 p 173.03 99.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.454 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.643 ' SG ' ' O ' ' A' ' 11' ' ' PHE . 0.8 OUTLIER . . . . . 0 C--O 1.219 -0.5 0 CA-C-O 118.075 -0.964 . . . . 0.0 110.67 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . 0.921 ' CZ ' HG13 ' A' ' 4' ' ' VAL . 1.4 t80 . . . . . 0 CA--C 1.522 -0.127 0 CA-C-O 120.849 0.357 . . . . 0.0 110.762 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.56 ' N ' ' CD1' ' A' ' 2' ' ' PHE . 1.7 m -125.25 138.19 54.1 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.381 179.473 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.921 HG13 ' CZ ' ' A' ' 2' ' ' PHE . 0.7 OUTLIER -105.63 -9.78 10.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.666 -179.908 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.52 ' HG2' ' C ' ' A' ' 4' ' ' VAL . 8.3 pt20 165.6 88.34 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.802 179.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.628 0 N-CA-C 110.79 -0.924 . . . . 0.0 110.79 179.868 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.444 ' HB1' ' NH1' ' A' ' 10' ' ' ARG . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.883 0.373 . . . . 0.0 110.505 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.651 ' OD1' ' CE1' ' A' ' 11' ' ' PHE . 43.2 t30 -93.77 74.84 4.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.643 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.592 ' O ' ' CD1' ' A' ' 13' ' ' ILE . 2.0 mmt-85 -69.42 -41.11 76.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.148 0.499 . . . . 0.0 110.749 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.665 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 28.5 p90 . . . . . 0 C--N 1.325 -0.478 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.835 -179.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.737 ' O ' HG22 ' A' ' 13' ' ' ILE . 50.7 mt . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.781 0.324 . . . . 0.0 110.607 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.435 ' O ' ' HB ' ' A' ' 15' ' ' VAL . 0.5 OUTLIER 171.51 -41.1 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.328 -179.889 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.632 ' O ' HG13 ' A' ' 15' ' ' VAL . 7.7 p 175.22 103.52 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.396 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.665 ' SG ' ' O ' ' A' ' 11' ' ' PHE . 0.9 OUTLIER . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.577 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . 0.579 ' CE2' HG13 ' A' ' 4' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.723 0.297 . . . . 0.0 110.79 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -113.89 130.4 56.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.669 179.6 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.896 HG22 ' HB3' ' A' ' 9' ' ' ASN . 33.2 m -121.44 129.29 75.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.385 179.658 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.442 ' HG2' ' C ' ' A' ' 4' ' ' VAL . 18.3 mm-40 55.3 55.72 7.17 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.806 179.45 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.747 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 179.821 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.754 0.311 . . . . 0.0 110.503 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.896 ' HB3' HG22 ' A' ' 4' ' ' VAL . 49.5 p-10 -97.77 49.43 1.03 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.342 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.515 ' O ' ' HB3' ' A' ' 11' ' ' PHE . 0.6 OUTLIER -55.79 82.72 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.236 -179.807 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.697 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 1.7 p90 . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.714 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.827 ' N ' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.461 0.117 0 CA-C-O 120.527 0.203 . . . . 0.0 111.331 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.592 ' O ' HG22 ' A' ' 15' ' ' VAL . 9.6 m120 -51.86 -74.01 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.619 -179.572 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.592 HG22 ' O ' ' A' ' 14' ' ' ASN . 2.3 t -160.29 62.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.435 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.697 ' SG ' ' O ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 117.881 -1.057 . . . . 0.0 111.03 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . 0.99 ' CZ ' HG13 ' A' ' 4' ' ' VAL . 3.2 t80 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.768 0.318 . . . . 0.0 110.648 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.446 ' N ' ' CD1' ' A' ' 2' ' ' PHE . 1.2 m -144.07 103.65 4.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.778 179.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.99 HG13 ' CZ ' ' A' ' 2' ' ' PHE . 0.6 OUTLIER -64.29 -43.15 97.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.583 179.711 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.599 ' NE2' ' O ' ' A' ' 4' ' ' VAL . 95.5 mm-40 -142.35 102.36 4.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.591 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.722 0 N-CA-C 110.874 -0.891 . . . . 0.0 110.874 -179.485 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.599 ' HB3' ' HB2' ' A' ' 5' ' ' GLN . . . . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.824 0.345 . . . . 0.0 110.547 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.699 ' OD1' HG22 ' A' ' 4' ' ' VAL . 9.5 m-20 -67.17 -81.98 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.609 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.569 ' HB2' ' O ' ' A' ' 9' ' ' ASN . 2.7 mpt_? 69.86 11.65 7.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.568 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.682 ' CD2' ' O ' ' A' ' 9' ' ' ASN . 37.4 p90 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.606 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.535 ' CA ' HD22 ' A' ' 9' ' ' ASN . 1.1 mp . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.852 0.358 . . . . 0.0 110.583 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.532 ' O ' ' OD1' ' A' ' 14' ' ' ASN . 51.9 p-10 -123.79 76.99 1.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.561 179.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.6 HG22 ' HB2' ' A' ' 2' ' ' PHE . 3.3 t 41.56 71.69 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.598 -179.711 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.681 ' SG ' ' O ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.07 -0.967 . . . . 0.0 110.502 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . 0.65 ' CE1' ' CG1' ' A' ' 4' ' ' VAL . 4.9 t80 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.698 0.285 . . . . 0.0 110.568 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -100.1 131.16 46.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.635 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.65 ' CG1' ' CE1' ' A' ' 2' ' ' PHE . 24.6 m -121.33 129.43 75.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.362 179.538 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 42.4 mm-40 47.7 66.6 0.99 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.766 179.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.721 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.862 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.55 ' HB3' ' O ' ' A' ' 4' ' ' VAL . . . . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.823 0.344 . . . . 0.0 110.53 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.681 ' O ' ' CD2' ' A' ' 11' ' ' PHE . 50.9 t-20 -63.67 -34.25 77.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.615 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.624 ' O ' ' CD1' ' A' ' 13' ' ' ILE . 6.8 mpt_? 33.09 -91.34 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.943 0.401 . . . . 0.0 110.845 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.681 ' CD2' ' O ' ' A' ' 9' ' ' ASN . 34.5 p90 . . . . . 0 C--N 1.324 -0.537 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.773 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.762 ' O ' HG22 ' A' ' 13' ' ' ILE . 10.0 mt . . . . . 0 CA--C 1.529 0.144 0 CA-C-O 120.925 0.393 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.585 ' OD1' ' N ' ' A' ' 15' ' ' VAL . 13.2 p30 176.29 -39.74 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.93 0.395 . . . . 0.0 110.711 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.589 ' O ' HG13 ' A' ' 15' ' ' VAL . 4.7 p 173.07 101.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.242 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.679 ' SG ' ' O ' ' A' ' 11' ' ' PHE . 0.9 OUTLIER . . . . . 0 C--O 1.221 -0.403 0 CA-C-O 117.926 -1.035 . . . . 0.0 110.794 -179.613 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . 0.826 ' CZ ' HG13 ' A' ' 4' ' ' VAL . 35.4 t80 . . . . . 0 CA--C 1.523 -0.076 0 CA-C-O 120.753 0.311 . . . . 0.0 110.633 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.2 m -104.74 104.06 13.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.681 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.826 HG13 ' CZ ' ' A' ' 2' ' ' PHE . 2.8 m -64.67 -42.33 94.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.788 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.602 ' HG3' HG23 ' A' ' 4' ' ' VAL . 0.8 OUTLIER -142.18 102.39 4.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.473 -179.6 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.693 0 N-CA-C 110.761 -0.936 . . . . 0.0 110.761 -179.999 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.498 ' N ' ' O ' ' A' ' 5' ' ' GLN . . . . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.822 0.344 . . . . 0.0 110.557 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.638 ' O ' ' CD2' ' A' ' 11' ' ' PHE . 2.3 m120 -68.45 -95.75 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.098 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.501 ' HB2' ' O ' ' A' ' 9' ' ' ASN . 3.8 mpt_? 65.17 44.08 3.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.573 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.666 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 9.8 p90 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.527 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.558 ' HA ' ' CG ' ' A' ' 9' ' ' ASN . 3.5 mp . . . . . 0 CA--C 1.518 -0.256 0 CA-C-O 120.693 0.282 . . . . 0.0 110.525 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.573 ' O ' ' HB ' ' A' ' 15' ' ' VAL . 76.0 m-20 -63.64 -41.91 98.19 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.447 179.382 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.878 HG22 ' O ' ' A' ' 15' ' ' VAL . 3.4 p 158.05 23.54 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-O 121.142 0.496 . . . . 0.0 110.131 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.666 ' SG ' ' O ' ' A' ' 11' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--O 1.221 -0.436 0 CA-C-O 117.963 -1.018 . . . . 0.0 111.212 -179.402 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . 0.784 ' CE1' HG13 ' A' ' 4' ' ' VAL . 1.8 t80 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.708 0.29 . . . . 0.0 110.432 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -126.03 132.07 52.06 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.734 179.67 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.784 HG13 ' CE1' ' A' ' 2' ' ' PHE . 11.6 m -114.83 106.91 21.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.359 179.47 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.519 ' HB2' ' O ' ' A' ' 4' ' ' VAL . 81.5 mm-40 78.6 48.57 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.806 179.516 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.75 0 N-CA-C 111.115 -0.794 . . . . 0.0 111.115 179.705 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.747 ' HB3' ' O ' ' A' ' 4' ' ' VAL . . . . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.692 0.282 . . . . 0.0 110.548 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.731 ' O ' ' CD2' ' A' ' 11' ' ' PHE . 28.2 m-20 -63.61 -71.31 0.17 Allowed 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.892 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.77 ' CA ' HD11 ' A' ' 13' ' ' ILE . 3.2 mpt_? 76.01 -24.65 0.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.691 -179.259 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.731 ' CD2' ' O ' ' A' ' 9' ' ' ASN . 23.0 p90 . . . . . 0 N--CA 1.464 0.243 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.907 179.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.77 HD11 ' CA ' ' A' ' 10' ' ' ARG . 8.3 mm . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 120.774 0.321 . . . . 0.0 110.416 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.925 ' O ' HG13 ' A' ' 15' ' ' VAL . 64.0 t30 173.93 -39.5 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.45 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.925 HG13 ' O ' ' A' ' 14' ' ' ASN . 0.0 OUTLIER 168.38 89.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.396 -179.937 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.653 ' SG ' ' O ' ' A' ' 11' ' ' PHE . 0.8 OUTLIER . . . . . 0 C--O 1.221 -0.421 0 CA-C-O 117.93 -1.033 . . . . 0.0 110.662 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . 0.66 ' CE2' HG13 ' A' ' 4' ' ' VAL . 35.7 t80 . . . . . 0 CA--C 1.521 -0.135 0 CA-C-O 120.7 0.286 . . . . 0.0 110.594 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.608 ' C ' ' O ' ' A' ' 2' ' ' PHE . 1.3 m -17.01 106.09 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.044 -179.219 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.66 HG13 ' CE2' ' A' ' 2' ' ' PHE . 3.6 m -64.33 -41.9 93.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.016 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.673 ' HB2' ' HB3' ' A' ' 8' ' ' ALA . 3.5 mt-30 -138.62 84.58 2.03 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.866 -0.334 . . . . 0.0 110.422 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.577 0 N-CA-C 110.412 -1.075 . . . . 0.0 110.412 -179.895 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.673 ' HB3' ' HB2' ' A' ' 5' ' ' GLN . . . . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.521 0.2 . . . . 0.0 111.1 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.645 ' CB ' ' CZ ' ' A' ' 11' ' ' PHE . 0.6 OUTLIER -129.61 107.09 9.18 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.556 -0.458 . . . . 0.0 111.096 179.799 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.81 ' O ' HD11 ' A' ' 13' ' ' ILE . 10.2 mpt_? -65.2 -39.16 92.45 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.653 179.575 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.645 ' CZ ' ' CB ' ' A' ' 9' ' ' ASN . 35.0 p90 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.115 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.81 HD11 ' O ' ' A' ' 10' ' ' ARG . 2.0 mp . . . . . 0 CA--C 1.527 0.061 0 CA-C-O 120.769 0.319 . . . . 0.0 110.193 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.655 ' C ' HG12 ' A' ' 15' ' ' VAL . 53.1 p-10 -125.32 -24.0 4.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.183 179.365 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.655 HG12 ' C ' ' A' ' 14' ' ' ASN . 2.1 p 154.35 97.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.232 0.161 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.726 179.74 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.645 ' SG ' ' O ' ' A' ' 11' ' ' PHE . 1.0 OUTLIER . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.654 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . 0.661 ' O ' ' C ' ' A' ' 3' ' ' CYS . 0.8 OUTLIER . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.732 0.301 . . . . 0.0 110.238 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.661 ' C ' ' O ' ' A' ' 2' ' ' PHE . 0.8 OUTLIER 0.98 93.65 0.01 OUTLIER 'General case' 0 C--O 1.232 0.181 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.799 -179.117 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.653 HG12 ' CE2' ' A' ' 2' ' ' PHE . 31.2 m -61.47 -45.28 98.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 -179.224 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.603 ' NE2' ' O ' ' A' ' 4' ' ' VAL . 70.5 mm-40 -144.29 112.03 6.17 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.659 -0.416 . . . . 0.0 110.799 -179.625 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 5' ' ' GLN . . . . . . . . 0 CA--C 1.526 0.746 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.481 ' N ' ' O ' ' A' ' 5' ' ' GLN . . . . . . . . 0 CA--C 1.528 0.129 0 CA-C-O 120.767 0.318 . . . . 0.0 110.736 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.641 ' OD1' ' CD1' ' A' ' 11' ' ' PHE . 39.2 t-20 -33.63 -84.09 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.604 -179.636 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.489 ' O ' ' HB3' ' A' ' 11' ' ' PHE . 9.0 mpt_? 61.53 50.81 4.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.002 0.43 . . . . 0.0 110.797 179.445 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.645 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 2.0 p90 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.624 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.805 ' N ' HD13 ' A' ' 13' ' ' ILE . 1.1 mm . . . . . 0 N--CA 1.454 -0.26 0 CA-C-O 120.759 0.314 . . . . 0.0 110.349 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.619 ' C ' HG12 ' A' ' 15' ' ' VAL . 88.2 m-20 -64.53 -41.17 96.55 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.44 179.244 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.841 HG22 ' O ' ' A' ' 15' ' ' VAL . 2.3 p 155.34 65.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.226 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.645 ' SG ' ' O ' ' A' ' 11' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--O 1.22 -0.452 0 CA-C-O 118.019 -0.991 . . . . 0.0 111.089 -179.717 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . 0.64 ' O ' ' C ' ' A' ' 3' ' ' CYS . 32.5 t80 . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 120.48 0.181 . . . . 0.0 110.605 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.64 ' C ' ' O ' ' A' ' 2' ' ' PHE . 1.7 m -5.5 105.96 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.517 -179.633 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.533 HG13 ' HE2' ' A' ' 2' ' ' PHE . 11.1 m -64.99 -41.05 91.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.467 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.456 ' HG2' HG23 ' A' ' 4' ' ' VAL . 2.8 pt20 -161.59 101.87 1.19 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.593 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.617 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 179.979 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.791 0.329 . . . . 0.0 110.641 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.606 ' O ' ' N ' ' A' ' 13' ' ' ILE . 48.4 p-10 -106.12 98.06 7.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.772 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.794 ' O ' HD11 ' A' ' 13' ' ' ILE . 10.0 mmt85 -66.02 -39.66 90.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.38 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.665 ' C ' ' SG ' ' A' ' 16' ' ' CYS . 13.8 p90 . . . . . 0 C--O 1.219 -0.538 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.533 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.794 HD11 ' O ' ' A' ' 10' ' ' ARG . 1.3 mp . . . . . 0 N--CA 1.454 -0.248 0 CA-C-O 120.998 0.428 . . . . 0.0 110.315 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.556 ' CG ' HG13 ' A' ' 15' ' ' VAL . 0.0 OUTLIER 162.05 -15.99 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.46 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.638 ' O ' ' C ' ' A' ' 16' ' ' CYS . 23.8 m -147.02 -121.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.468 -179.648 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.665 ' SG ' ' C ' ' A' ' 11' ' ' PHE . 0.7 OUTLIER . . . . . 0 C--O 1.214 -0.771 0 CA-C-O 118.02 -0.991 . . . . 0.0 110.846 179.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . 0.805 ' HB2' HG22 ' A' ' 15' ' ' VAL . 3.2 t80 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.865 0.364 . . . . 0.0 110.544 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -103.16 132.72 49.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.769 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.957 HG22 ' HB2' ' A' ' 9' ' ' ASN . 21.8 m -118.54 128.63 75.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.279 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.695 ' HG3' ' HB3' ' A' ' 8' ' ' ALA . 0.9 OUTLIER 39.13 70.96 0.18 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.76 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.423 ' O ' ' N ' ' A' ' 8' ' ' ALA . . . . . . . . 0 CA--C 1.524 0.64 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.695 ' HB3' ' HG3' ' A' ' 5' ' ' GLN . . . . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.82 0.343 . . . . 0.0 110.486 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.957 ' HB2' HG22 ' A' ' 4' ' ' VAL . 57.6 t30 -88.05 108.88 19.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.562 -179.737 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.546 ' HD2' ' O ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -121.08 15.92 11.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.375 179.836 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.756 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 16.3 p90 . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.045 -179.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.828 ' N ' HD13 ' A' ' 13' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.819 0.343 . . . . 0.0 110.593 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.557 ' O ' ' OD1' ' A' ' 14' ' ' ASN . 24.8 t-20 -103.76 40.69 1.39 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.453 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.805 HG22 ' HB2' ' A' ' 2' ' ' PHE . 8.1 t 69.72 62.6 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.355 -179.794 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.756 ' SG ' ' O ' ' A' ' 11' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 118.007 -0.997 . . . . 0.0 110.732 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . 0.879 ' CZ ' HG13 ' A' ' 4' ' ' VAL . 7.5 t80 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.818 0.342 . . . . 0.0 110.654 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.3 m -135.22 108.36 7.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.741 179.515 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.879 HG13 ' CZ ' ' A' ' 2' ' ' PHE . 1.6 m -64.7 -41.32 91.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.086 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -167.38 98.04 0.5 Allowed 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.693 -0.403 . . . . 0.0 111.03 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.639 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 179.595 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.722 0.296 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.557 ' OD1' ' CD2' ' A' ' 11' ' ' PHE . 63.7 t-20 -83.61 102.77 12.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.947 0.403 . . . . 0.0 110.676 -179.482 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -100.25 7.08 44.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.316 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.754 ' O ' HD12 ' A' ' 13' ' ' ILE . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.098 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.754 HD12 ' O ' ' A' ' 11' ' ' PHE . 1.5 mt . . . . . 0 N--CA 1.451 -0.408 0 CA-C-O 120.884 0.373 . . . . 0.0 110.369 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.581 ' ND2' ' O ' ' A' ' 13' ' ' ILE . 7.5 m120 -168.81 -34.74 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.343 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.857 HG22 ' N ' ' A' ' 16' ' ' CYS . 0.7 OUTLIER -164.71 -87.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.016 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.857 ' N ' HG22 ' A' ' 15' ' ' VAL . 1.2 m . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.942 -1.027 . . . . 0.0 110.447 -179.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . 0.975 ' CZ ' HG13 ' A' ' 4' ' ' VAL . 5.6 t80 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.872 0.367 . . . . 0.0 110.621 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.1 m -139.25 102.25 4.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.834 179.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.975 HG13 ' CZ ' ' A' ' 2' ' ' PHE . 1.1 m -64.42 -44.97 97.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.721 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.585 ' NE2' ' O ' ' A' ' 4' ' ' VAL . 86.1 mm-40 -142.86 107.45 4.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.196 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.638 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.997 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.511 ' N ' ' O ' ' A' ' 5' ' ' GLN . . . . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.744 0.307 . . . . 0.0 110.46 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.675 ' ND2' ' CE2' ' A' ' 2' ' ' PHE . 53.7 t-20 -87.93 101.16 13.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.7 -179.584 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.548 ' HD2' ' N ' ' A' ' 10' ' ' ARG . 2.6 mmm-85 -106.19 38.65 1.98 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.917 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.823 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 16.0 p90 . . . . . 0 CA--C 1.51 -0.568 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.185 -179.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.529 HG13 ' O ' ' A' ' 9' ' ' ASN . 0.5 OUTLIER . . . . . 0 N--CA 1.455 -0.176 0 CA-C-O 120.827 0.346 . . . . 0.0 110.885 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.558 ' O ' ' HB ' ' A' ' 15' ' ' VAL . 99.1 m-20 -63.0 -40.62 98.34 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.522 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.769 HG22 ' O ' ' A' ' 15' ' ' VAL . 2.6 p 157.67 9.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.493 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.823 ' SG ' ' O ' ' A' ' 11' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 118.128 -0.939 . . . . 0.0 110.954 -179.711 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . 0.583 ' CZ ' ' CG1' ' A' ' 4' ' ' VAL . 7.4 t80 . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.88 0.371 . . . . 0.0 110.594 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -122.42 134.4 54.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.603 179.752 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.583 ' CG1' ' CZ ' ' A' ' 2' ' ' PHE . 13.2 m -118.7 130.28 73.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.267 179.625 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.572 ' HG3' ' HB3' ' A' ' 8' ' ' ALA . 2.6 pt20 38.04 71.9 0.14 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.755 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.676 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 179.79 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.572 ' HB3' ' HG3' ' A' ' 5' ' ' GLN . . . . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.71 0.291 . . . . 0.0 110.778 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.672 ' O ' ' CD2' ' A' ' 11' ' ' PHE . 2.2 t-20 -73.61 -84.79 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.239 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.6 ' HD2' ' N ' ' A' ' 10' ' ' ARG . 2.0 mpt_? 59.88 45.2 12.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.979 0.418 . . . . 0.0 111.178 179.081 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.714 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 5.9 p90 . . . . . 0 C--N 1.327 -0.412 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.152 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.711 ' N ' HD13 ' A' ' 13' ' ' ILE . 1.5 mm . . . . . 0 N--CA 1.461 0.102 0 CA-C-O 120.561 0.22 . . . . 0.0 111.25 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.917 ' O ' HG13 ' A' ' 15' ' ' VAL . 55.1 t30 -63.59 -40.78 97.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.813 0.339 . . . . 0.0 110.755 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.917 HG13 ' O ' ' A' ' 14' ' ' ASN . 0.0 OUTLIER 171.93 -49.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.988 0.423 . . . . 0.0 110.162 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.714 ' SG ' ' O ' ' A' ' 11' ' ' PHE . 1.2 m . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.874 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . 0.672 ' CD2' ' ND2' ' A' ' 9' ' ' ASN . 5.6 t80 . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.807 0.336 . . . . 0.0 110.543 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.584 ' C ' ' O ' ' A' ' 2' ' ' PHE . 0.8 OUTLIER -24.58 98.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.142 -179.503 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.587 HG13 ' CZ ' ' A' ' 2' ' ' PHE . 11.5 m -63.45 -44.66 98.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.597 -179.302 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.571 ' HG3' ' HB3' ' A' ' 8' ' ' ALA . 1.6 pt20 -153.36 112.51 3.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.536 -179.704 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.664 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 -179.998 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.571 ' HB3' ' HG3' ' A' ' 5' ' ' GLN . . . . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.799 0.333 . . . . 0.0 110.526 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.672 ' ND2' ' CD2' ' A' ' 2' ' ' PHE . 80.2 m-20 -56.37 -86.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.568 -179.551 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.574 ' O ' ' HB3' ' A' ' 11' ' ' PHE . 3.4 mpt_? 62.54 50.32 3.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.557 -179.571 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.625 ' CD1' ' C ' ' A' ' 11' ' ' PHE . 2.2 p90 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.564 -178.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.795 ' N ' HD13 ' A' ' 13' ' ' ILE . 1.6 mm . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.827 0.346 . . . . 0.0 110.551 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.709 ' C ' HG23 ' A' ' 15' ' ' VAL . 65.3 t30 70.8 33.71 2.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.545 -179.338 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.709 HG23 ' C ' ' A' ' 14' ' ' ASN . 3.8 t 87.82 112.07 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.485 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.65 ' OXT' ' SG ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.221 -0.432 0 CA-C-O 117.999 -1.0 . . . . 0.0 110.515 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . 0.876 ' CZ ' HG13 ' A' ' 4' ' ' VAL . 13.4 t80 . . . . . 0 N--CA 1.457 -0.115 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.583 ' O ' HG23 ' A' ' 4' ' ' VAL . 0.1 OUTLIER -132.88 29.59 4.1 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.003 179.86 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.876 HG13 ' CZ ' ' A' ' 2' ' ' PHE . 0.9 OUTLIER 40.07 -104.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 C-N-CA 120.434 -0.507 . . . . 0.0 110.273 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.414 ' H ' HG23 ' A' ' 4' ' ' VAL . 82.6 mm-40 -86.08 -72.78 0.48 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.72 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.68 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.857 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.174 0 CA-C-O 120.848 0.356 . . . . 0.0 110.106 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.657 ' O ' ' CD2' ' A' ' 11' ' ' PHE . 3.0 m120 -54.1 -88.45 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.454 -179.515 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.528 ' HD2' ' N ' ' A' ' 10' ' ' ARG . 9.3 mpt_? 61.1 44.14 10.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.857 0.361 . . . . 0.0 111.287 179.431 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.7 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 3.3 p90 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.875 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.563 ' HA ' ' ND2' ' A' ' 9' ' ' ASN . 1.3 mp . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.922 0.392 . . . . 0.0 110.584 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.52 ' O ' ' CB ' ' A' ' 15' ' ' VAL . 60.9 t-20 59.09 38.49 23.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.295 -179.48 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.584 ' N ' ' HB3' ' A' ' 2' ' ' PHE . 0.4 OUTLIER 83.6 121.81 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.106 -179.911 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.7 ' SG ' ' O ' ' A' ' 11' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 118.024 -0.989 . . . . 0.0 110.78 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 93.3 t80 . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.654 ' CZ ' HG13 ' A' ' 4' ' ' VAL . 5.0 t80 -91.41 86.21 6.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.633 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.3 m -94.46 111.76 23.52 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.456 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.654 HG13 ' CZ ' ' A' ' 2' ' ' PHE . 0.9 OUTLIER -64.49 -41.92 93.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.977 179.759 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.422 ' HG2' ' C ' ' A' ' 4' ' ' VAL . 1.8 pt20 -168.15 97.32 0.43 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.57 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 68.64 23.45 75.46 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' DBB . . . . . 0.586 ' HG2' ' H ' ' A' ' 9' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -106.62 27.1 9.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.543 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.665 ' O ' ' CD2' ' A' ' 11' ' ' PHE . 14.0 t-20 -55.04 -84.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.441 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.646 ' HD2' ' N ' ' A' ' 10' ' ' ARG . 7.0 mmm180 61.2 49.5 5.48 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.881 0.372 . . . . 0.0 110.769 179.493 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.845 ' C ' ' HG2' ' A' ' 12' ' ' DBB . 2.8 p90 171.47 -16.06 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.443 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' DBB . . . . . 0.845 ' HG2' ' C ' ' A' ' 11' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.74 HD12 ' HG3' ' A' ' 12' ' ' DBB . 0.8 OUTLIER -35.76 -46.93 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.083 -179.025 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.551 ' O ' ' HB ' ' A' ' 15' ' ' VAL . 90.5 m-20 -61.51 -40.68 95.47 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.395 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.717 HG22 ' O ' ' A' ' 15' ' ' VAL . 2.4 p 159.18 4.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.728 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.738 ' SG ' ' O ' ' A' ' 11' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--O 1.219 -0.518 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.832 -179.517 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.664 ' CZ ' ' CG1' ' A' ' 4' ' ' VAL . 6.6 t80 -112.88 114.38 26.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.622 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.566 ' HA ' ' HG1' ' A' ' 7' ' ' DBB . 0.0 OUTLIER -127.86 129.72 47.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.505 179.765 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.664 ' CG1' ' CZ ' ' A' ' 2' ' ' PHE . 20.9 m -116.34 129.45 72.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.783 0.325 . . . . 0.0 110.573 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.716 ' HG3' ' HB3' ' A' ' 8' ' ' ALA . 3.6 pt20 37.91 76.42 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.51 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.595 ' O ' ' C ' ' A' ' 7' ' ' DBB . . . 58.99 73.23 0.49 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' DBB . . . . . 0.975 ' HG2' ' H ' ' A' ' 9' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.716 ' HB3' ' HG3' ' A' ' 5' ' ' GLN . . . -118.79 28.62 8.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.586 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.975 ' H ' ' HG2' ' A' ' 7' ' ' DBB . 44.6 t30 -97.59 68.9 2.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.604 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.573 ' O ' ' CD1' ' A' ' 13' ' ' ILE . 3.5 mpt_? -68.0 -38.99 83.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.613 179.455 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 1.107 ' O ' ' HG2' ' A' ' 12' ' ' DBB . 31.1 p90 -63.84 -55.52 22.27 Favored 'General case' 0 C--O 1.219 -0.507 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.583 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' DBB . . . . . 1.107 ' HG2' ' O ' ' A' ' 11' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.708 ' O ' HG22 ' A' ' 13' ' ' ILE . 49.8 mt 48.63 11.3 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.244 -178.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.592 ' H ' ' C ' ' A' ' 12' ' ' DBB . 62.6 t30 174.67 -39.12 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.889 0.376 . . . . 0.0 110.497 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.567 ' O ' HG13 ' A' ' 15' ' ' VAL . 3.7 p 171.82 100.21 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.641 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.661 ' SG ' ' C ' ' A' ' 11' ' ' PHE . 1.1 m . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.565 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 . . . . . 0 N--CA 1.49 1.525 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.804 ' CE1' HG13 ' A' ' 4' ' ' VAL . 2.6 t80 -105.02 118.4 36.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.596 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.438 ' N ' ' CD1' ' A' ' 2' ' ' PHE . 0.1 OUTLIER -134.03 128.82 35.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.149 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.804 HG13 ' CE1' ' A' ' 2' ' ' PHE . 2.4 m -107.13 113.01 42.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.397 179.495 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.522 ' HB2' ' O ' ' A' ' 4' ' ' VAL . 86.5 mm-40 77.48 27.85 0.61 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.494 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 100.43 -18.99 54.52 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' DBB . . . . . 0.738 ' HG2' ' H ' ' A' ' 9' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -112.51 41.02 2.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.444 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.738 ' H ' ' HG2' ' A' ' 7' ' ' DBB . 9.1 t-20 -62.96 -80.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.513 ' O ' ' HB3' ' A' ' 11' ' ' PHE . 2.9 mpt_? 59.67 43.63 15.37 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.515 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.658 ' CD2' ' O ' ' A' ' 9' ' ' ASN . 2.1 p90 172.04 4.97 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.7 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' DBB . . . . . 0.98 ' HG3' HD12 ' A' ' 13' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.98 HD12 ' HG3' ' A' ' 12' ' ' DBB . 1.5 mp -32.16 -65.45 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.602 -178.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.936 ' O ' HG23 ' A' ' 15' ' ' VAL . 50.6 t-20 -64.22 -40.71 96.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.582 179.767 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.936 HG23 ' O ' ' A' ' 14' ' ' ASN . 1.5 t 162.18 93.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.278 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.656 ' SG ' ' O ' ' A' ' 11' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.667 179.61 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.722 ' CE1' ' SG ' ' A' ' 3' ' ' CYS . 31.0 p90 . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.857 ' CE1' HG13 ' A' ' 4' ' ' VAL . 1.7 t80 -87.72 115.78 25.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.78 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.722 ' SG ' ' CE1' ' A' ' 1' ' ' PHE . 0.1 OUTLIER -136.65 133.29 36.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.463 179.849 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.857 HG13 ' CE1' ' A' ' 2' ' ' PHE . 4.4 m -119.88 128.02 75.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 120.884 0.373 . . . . 0.0 110.656 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 58.3 mm-40 50.91 58.33 5.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.427 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 7' ' ' DBB . . . 64.9 67.66 1.95 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.797 -0.921 . . . . 0.0 110.797 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' DBB . . . . . 0.702 ' HG2' ' H ' ' A' ' 9' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.594 ' HB3' ' O ' ' A' ' 4' ' ' VAL . . . -122.62 39.11 4.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.456 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.702 ' H ' ' HG2' ' A' ' 7' ' ' DBB . 12.3 t-20 -61.75 -87.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.8 -179.666 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.556 ' HD2' ' N ' ' A' ' 10' ' ' ARG . 3.4 mpt_? 66.1 35.17 6.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.441 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.878 ' C ' ' HG2' ' A' ' 12' ' ' DBB . 26.9 p90 -173.45 -12.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.668 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' DBB . . . . . 0.878 ' HG2' ' C ' ' A' ' 11' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.76 HD12 ' HG3' ' A' ' 12' ' ' DBB . 0.8 OUTLIER -47.31 82.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.542 -179.638 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.958 ' O ' HG13 ' A' ' 15' ' ' VAL . 1.1 m120 151.91 -51.98 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.628 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.958 HG13 ' O ' ' A' ' 14' ' ' ASN . 0.0 OUTLIER 179.37 -14.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.628 -179.907 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.682 ' SG ' ' O ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.217 -0.612 0 CA-C-O 118.049 -0.977 . . . . 0.0 110.735 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 55.6 p90 . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.761 ' CE2' HG13 ' A' ' 4' ' ' VAL . 0.9 OUTLIER -103.29 114.12 28.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.446 179.854 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.544 ' N ' ' HD2' ' A' ' 2' ' ' PHE . 0.0 OUTLIER -134.3 127.53 31.97 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.256 179.522 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.761 HG13 ' CE2' ' A' ' 2' ' ' PHE . 19.8 m -116.57 128.92 73.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.651 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 75.2 mm-40 50.05 67.58 0.89 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.69 179.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 57.97 59.69 10.34 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' DBB . . . . . 0.935 ' HG2' ' H ' ' A' ' 9' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.715 ' HB3' ' O ' ' A' ' 4' ' ' VAL . . . -117.21 30.04 7.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.77 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.951 ' O ' HD13 ' A' ' 13' ' ' ILE . 64.2 t-20 -96.0 101.73 13.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.382 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.611 ' NH1' ' CA ' ' A' ' 8' ' ' ALA . 5.4 mmt-85 -99.48 -10.28 22.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.929 0.395 . . . . 0.0 110.906 -179.694 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.935 ' O ' ' HG2' ' A' ' 12' ' ' DBB . 18.3 p90 -91.44 -51.94 5.03 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.989 -179.531 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' DBB . . . . . 0.935 ' HG2' ' O ' ' A' ' 11' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.951 HD13 ' O ' ' A' ' 9' ' ' ASN . 6.7 mm 65.94 -7.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.422 -179.237 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.611 ' H ' ' C ' ' A' ' 12' ' ' DBB . 7.4 m120 -171.04 -33.72 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.969 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.626 ' O ' HG13 ' A' ' 15' ' ' VAL . 6.7 p 173.03 99.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.454 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.643 ' SG ' ' O ' ' A' ' 11' ' ' PHE . 0.8 OUTLIER . . . . . 0 C--O 1.219 -0.5 0 CA-C-O 118.075 -0.964 . . . . 0.0 110.67 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.532 ' O ' ' CD2' ' A' ' 1' ' ' PHE . 75.2 t80 . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.921 ' CZ ' HG13 ' A' ' 4' ' ' VAL . 1.4 t80 -111.82 122.55 48.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.762 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.56 ' N ' ' CD1' ' A' ' 2' ' ' PHE . 1.7 m -125.25 138.19 54.1 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.381 179.473 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.921 HG13 ' CZ ' ' A' ' 2' ' ' PHE . 0.7 OUTLIER -105.63 -9.78 10.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.666 -179.908 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.52 ' HG2' ' C ' ' A' ' 4' ' ' VAL . 8.3 pt20 165.6 88.34 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.802 179.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 73.84 20.52 79.75 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.79 -0.924 . . . . 0.0 110.79 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' DBB . . . . . 0.757 ' HG2' ' H ' ' A' ' 9' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.444 ' HB1' ' NH1' ' A' ' 10' ' ' ARG . . . -104.25 30.42 5.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.505 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.757 ' H ' ' HG2' ' A' ' 7' ' ' DBB . 43.2 t30 -93.77 74.84 4.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.643 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.592 ' O ' ' CD1' ' A' ' 13' ' ' ILE . 2.0 mmt-85 -69.42 -41.11 76.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.148 0.499 . . . . 0.0 110.749 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.913 ' O ' ' HG2' ' A' ' 12' ' ' DBB . 28.5 p90 -63.39 -52.75 60.32 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.835 -179.377 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' DBB . . . . . 0.913 ' HG2' ' O ' ' A' ' 11' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.737 ' O ' HG22 ' A' ' 13' ' ' ILE . 50.7 mt 46.46 15.18 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.607 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.568 ' N ' ' C ' ' A' ' 12' ' ' DBB . 0.5 OUTLIER 171.51 -41.1 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.328 -179.889 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.632 ' O ' HG13 ' A' ' 15' ' ' VAL . 7.7 p 175.22 103.52 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.396 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.665 ' SG ' ' O ' ' A' ' 11' ' ' PHE . 0.9 OUTLIER . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.577 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.445 ' CG ' ' O ' ' A' ' 1' ' ' PHE . 88.8 t80 . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.579 ' CE2' HG13 ' A' ' 4' ' ' VAL . 0.9 OUTLIER -115.64 89.46 3.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.79 -179.935 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -113.89 130.4 56.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.669 179.6 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.896 HG22 ' HB3' ' A' ' 9' ' ' ASN . 33.2 m -121.44 129.29 75.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.385 179.658 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.442 ' HG2' ' C ' ' A' ' 4' ' ' VAL . 18.3 mm-40 55.3 55.72 7.17 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.806 179.45 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 64.89 62.75 4.72 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' DBB . . . . . 0.826 ' HG2' ' N ' ' A' ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.826 ' N ' ' HG2' ' A' ' 7' ' ' DBB . . . -171.55 46.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.503 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.896 ' HB3' HG22 ' A' ' 4' ' ' VAL . 49.5 p-10 -97.77 49.43 1.03 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.342 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.515 ' O ' ' HB3' ' A' ' 11' ' ' PHE . 0.6 OUTLIER -55.79 82.72 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.236 -179.807 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.794 ' C ' ' HG2' ' A' ' 12' ' ' DBB . 1.7 p90 164.47 2.58 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.714 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' DBB . . . . . 0.794 ' HG2' ' C ' ' A' ' 11' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.827 ' N ' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER 45.47 -81.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.331 179.745 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.599 ' N ' ' O ' ' A' ' 12' ' ' DBB . 9.6 m120 -51.86 -74.01 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.619 -179.572 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.592 HG22 ' O ' ' A' ' 14' ' ' ASN . 2.3 t -160.29 62.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.435 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.697 ' SG ' ' O ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 117.881 -1.057 . . . . 0.0 111.03 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.552 ' CD1' ' O ' ' A' ' 1' ' ' PHE . 52.8 p90 . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.99 ' CZ ' HG13 ' A' ' 4' ' ' VAL . 3.2 t80 -114.95 122.79 47.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.648 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.446 ' N ' ' CD1' ' A' ' 2' ' ' PHE . 1.2 m -144.07 103.65 4.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.778 179.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.99 HG13 ' CZ ' ' A' ' 2' ' ' PHE . 0.6 OUTLIER -64.29 -43.15 97.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.583 179.711 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.599 ' NE2' ' O ' ' A' ' 4' ' ' VAL . 95.5 mm-40 -142.35 102.36 4.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.591 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 41.11 18.92 0.02 OUTLIER Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.874 -0.891 . . . . 0.0 110.874 -179.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' DBB . . . . . 0.574 ' HG2' ' H ' ' A' ' 9' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.599 ' HB3' ' HB2' ' A' ' 5' ' ' GLN . . . -108.28 43.57 1.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.547 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.699 ' OD1' HG22 ' A' ' 4' ' ' VAL . 9.5 m-20 -67.17 -81.98 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.609 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.569 ' HB2' ' O ' ' A' ' 9' ' ' ASN . 2.7 mpt_? 69.86 11.65 7.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.568 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.873 ' C ' ' HG2' ' A' ' 12' ' ' DBB . 37.4 p90 -151.29 -16.13 0.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.606 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' DBB . . . . . 0.982 ' HG3' HD12 ' A' ' 13' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.982 HD12 ' HG3' ' A' ' 12' ' ' DBB . 1.1 mp -42.69 -24.12 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.583 -179.591 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.532 ' O ' ' OD1' ' A' ' 14' ' ' ASN . 51.9 p-10 -123.79 76.99 1.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.561 179.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.6 HG22 ' HB2' ' A' ' 2' ' ' PHE . 3.3 t 41.56 71.69 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.598 -179.711 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.681 ' SG ' ' O ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.07 -0.967 . . . . 0.0 110.502 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 87.3 t80 . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.65 ' CE1' ' CG1' ' A' ' 4' ' ' VAL . 4.9 t80 -126.65 88.3 2.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.568 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -100.1 131.16 46.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.635 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.65 ' CG1' ' CE1' ' A' ' 2' ' ' PHE . 24.6 m -121.33 129.43 75.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.362 179.538 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 42.4 mm-40 47.7 66.6 0.99 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.766 179.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.471 ' O ' ' C ' ' A' ' 7' ' ' DBB . . . 60.83 67.88 1.93 Allowed Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' DBB . . . . . 0.829 ' HG2' ' H ' ' A' ' 9' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.55 ' HB3' ' O ' ' A' ' 4' ' ' VAL . . . -105.9 16.71 24.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.53 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.829 ' H ' ' HG2' ' A' ' 7' ' ' DBB . 50.9 t-20 -63.67 -34.25 77.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.615 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.624 ' O ' ' CD1' ' A' ' 13' ' ' ILE . 6.8 mpt_? 33.09 -91.34 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.943 0.401 . . . . 0.0 110.845 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.912 ' O ' ' HG2' ' A' ' 12' ' ' DBB . 34.5 p90 -33.87 -51.29 0.4 Allowed 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.773 -179.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' DBB . . . . . 0.912 ' HG2' ' O ' ' A' ' 11' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.762 ' O ' HG22 ' A' ' 13' ' ' ILE . 10.0 mt 49.6 10.7 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.905 -179.167 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.585 ' OD1' ' N ' ' A' ' 15' ' ' VAL . 13.2 p30 176.29 -39.74 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.93 0.395 . . . . 0.0 110.711 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.589 ' O ' HG13 ' A' ' 15' ' ' VAL . 4.7 p 173.07 101.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.242 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.679 ' SG ' ' O ' ' A' ' 11' ' ' PHE . 0.9 OUTLIER . . . . . 0 C--O 1.221 -0.403 0 CA-C-O 117.926 -1.035 . . . . 0.0 110.794 -179.613 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 42.5 t80 . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.826 ' CZ ' HG13 ' A' ' 4' ' ' VAL . 35.4 t80 -118.07 86.6 2.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.633 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.2 m -104.74 104.06 13.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.681 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.826 HG13 ' CZ ' ' A' ' 2' ' ' PHE . 2.8 m -64.67 -42.33 94.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.788 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.602 ' HG3' HG23 ' A' ' 4' ' ' VAL . 0.8 OUTLIER -142.18 102.39 4.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.473 -179.6 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 39.85 20.33 0.02 OUTLIER Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.761 -0.936 . . . . 0.0 110.761 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' DBB . . . . . 0.738 ' HG2' ' H ' ' A' ' 9' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.498 ' N ' ' O ' ' A' ' 5' ' ' GLN . . . -100.28 38.29 1.52 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.557 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.738 ' H ' ' HG2' ' A' ' 7' ' ' DBB . 2.3 m120 -68.45 -95.75 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.098 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.501 ' HB2' ' O ' ' A' ' 9' ' ' ASN . 3.8 mpt_? 65.17 44.08 3.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.573 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.666 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 9.8 p90 172.06 -4.62 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.527 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' DBB . . . . . 0.876 ' HG3' HD12 ' A' ' 13' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.876 HD12 ' HG3' ' A' ' 12' ' ' DBB . 3.5 mp -52.34 -47.58 45.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.525 -177.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.573 ' O ' ' HB ' ' A' ' 15' ' ' VAL . 76.0 m-20 -63.64 -41.91 98.19 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.447 179.382 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.878 HG22 ' O ' ' A' ' 15' ' ' VAL . 3.4 p 158.05 23.54 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-O 121.142 0.496 . . . . 0.0 110.131 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.666 ' SG ' ' O ' ' A' ' 11' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--O 1.221 -0.436 0 CA-C-O 117.963 -1.018 . . . . 0.0 111.212 -179.402 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 10.0 t80 . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.784 ' CE1' HG13 ' A' ' 4' ' ' VAL . 1.8 t80 -111.39 111.55 22.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.432 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -126.03 132.07 52.06 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.734 179.67 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.784 HG13 ' CE1' ' A' ' 2' ' ' PHE . 11.6 m -114.83 106.91 21.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.359 179.47 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.519 ' HB2' ' O ' ' A' ' 4' ' ' VAL . 81.5 mm-40 78.6 48.57 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.806 179.516 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 72.37 24.88 75.61 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.115 -0.794 . . . . 0.0 111.115 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' DBB . . . . . 0.556 ' HG2' ' H ' ' A' ' 9' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.747 ' HB3' ' O ' ' A' ' 4' ' ' VAL . . . -147.02 35.55 0.91 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.548 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.731 ' O ' ' CD2' ' A' ' 11' ' ' PHE . 28.2 m-20 -63.61 -71.31 0.17 Allowed 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.892 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.77 ' CA ' HD11 ' A' ' 13' ' ' ILE . 3.2 mpt_? 76.01 -24.65 0.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.691 -179.259 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.941 ' O ' ' HG2' ' A' ' 12' ' ' DBB . 23.0 p90 -102.74 -52.64 3.03 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.907 179.589 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' DBB . . . . . 0.941 ' HG2' ' O ' ' A' ' 11' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.77 HD11 ' CA ' ' A' ' 10' ' ' ARG . 8.3 mm 47.2 15.06 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.416 -179.357 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.925 ' O ' HG13 ' A' ' 15' ' ' VAL . 64.0 t30 173.93 -39.5 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.45 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.925 HG13 ' O ' ' A' ' 14' ' ' ASN . 0.0 OUTLIER 168.38 89.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.396 -179.937 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.653 ' SG ' ' O ' ' A' ' 11' ' ' PHE . 0.8 OUTLIER . . . . . 0 C--O 1.221 -0.421 0 CA-C-O 117.93 -1.033 . . . . 0.0 110.662 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 90.7 t80 . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.66 ' CE2' HG13 ' A' ' 4' ' ' VAL . 35.7 t80 -71.68 -22.76 61.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.594 179.729 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.608 ' C ' ' O ' ' A' ' 2' ' ' PHE . 1.3 m -17.01 106.09 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.044 -179.219 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.66 HG13 ' CE2' ' A' ' 2' ' ' PHE . 3.6 m -64.33 -41.9 93.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.016 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.673 ' HB2' ' HB3' ' A' ' 8' ' ' ALA . 3.5 mt-30 -138.62 84.58 2.03 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.866 -0.334 . . . . 0.0 110.422 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 50.56 20.06 3.59 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.412 -1.075 . . . . 0.0 110.412 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' DBB . . . . . 0.582 ' CG ' ' OD1' ' A' ' 9' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.673 ' HB3' ' HB2' ' A' ' 5' ' ' GLN . . . -107.5 50.25 0.78 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.1 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.645 ' CB ' ' CZ ' ' A' ' 11' ' ' PHE . 0.6 OUTLIER -129.61 107.09 9.18 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.556 -0.458 . . . . 0.0 111.096 179.799 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.81 ' O ' HD11 ' A' ' 13' ' ' ILE . 10.2 mpt_? -65.2 -39.16 92.45 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.653 179.575 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.956 ' O ' ' HG2' ' A' ' 12' ' ' DBB . 35.0 p90 -60.66 -48.17 82.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.115 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' DBB . . . . . 0.956 ' HG2' ' O ' ' A' ' 11' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.81 HD11 ' O ' ' A' ' 10' ' ' ARG . 2.0 mp 71.11 -42.91 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.193 -179.328 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.655 ' C ' HG12 ' A' ' 15' ' ' VAL . 53.1 p-10 -125.32 -24.0 4.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.183 179.365 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.655 HG12 ' C ' ' A' ' 14' ' ' ASN . 2.1 p 154.35 97.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.232 0.161 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.726 179.74 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.645 ' SG ' ' O ' ' A' ' 11' ' ' PHE . 1.0 OUTLIER . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.654 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.661 ' O ' ' C ' ' A' ' 3' ' ' CYS . 0.8 OUTLIER -61.07 -48.01 83.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.238 179.8 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.661 ' C ' ' O ' ' A' ' 2' ' ' PHE . 0.8 OUTLIER 0.98 93.65 0.01 OUTLIER 'General case' 0 C--O 1.232 0.181 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.799 -179.117 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.653 HG12 ' CE2' ' A' ' 2' ' ' PHE . 31.2 m -61.47 -45.28 98.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 -179.224 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.603 ' NE2' ' O ' ' A' ' 4' ' ' VAL . 70.5 mm-40 -144.29 112.03 6.17 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.659 -0.416 . . . . 0.0 110.799 -179.625 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 5' ' ' GLN . . . 38.41 22.2 0.01 OUTLIER Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' DBB . . . . . 0.591 ' N ' ' O ' ' A' ' 5' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.481 ' N ' ' O ' ' A' ' 5' ' ' GLN . . . -97.11 -3.44 41.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.736 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.688 ' ND2' ' C ' ' A' ' 12' ' ' DBB . 39.2 t-20 -33.63 -84.09 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.604 -179.636 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.582 ' NH1' ' O ' ' A' ' 7' ' ' DBB . 9.0 mpt_? 61.53 50.81 4.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.002 0.43 . . . . 0.0 110.797 179.445 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.645 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 2.0 p90 170.98 5.93 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.624 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' DBB . . . . . 0.688 ' C ' ' ND2' ' A' ' 9' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.805 ' N ' HD13 ' A' ' 13' ' ' ILE . 1.1 mm -42.81 -55.68 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.349 -179.019 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.619 ' C ' HG12 ' A' ' 15' ' ' VAL . 88.2 m-20 -64.53 -41.17 96.55 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.44 179.244 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.841 HG22 ' O ' ' A' ' 15' ' ' VAL . 2.3 p 155.34 65.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.226 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.645 ' SG ' ' O ' ' A' ' 11' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--O 1.22 -0.452 0 CA-C-O 118.019 -0.991 . . . . 0.0 111.089 -179.717 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.64 ' O ' ' C ' ' A' ' 3' ' ' CYS . 32.5 t80 -61.26 -45.37 94.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.605 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.64 ' C ' ' O ' ' A' ' 2' ' ' PHE . 1.7 m -5.5 105.96 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.517 -179.633 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.533 HG13 ' HE2' ' A' ' 2' ' ' PHE . 11.1 m -64.99 -41.05 91.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.467 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.456 ' HG2' HG23 ' A' ' 4' ' ' VAL . 2.8 pt20 -161.59 101.87 1.19 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.593 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 55.58 41.62 82.22 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' DBB . . . . . 0.52 ' HG2' ' H ' ' A' ' 9' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -137.57 34.4 2.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.641 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.598 ' O ' ' N ' ' A' ' 13' ' ' ILE . 48.4 p-10 -106.12 98.06 7.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.772 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.794 ' O ' HD11 ' A' ' 13' ' ' ILE . 10.0 mmt85 -66.02 -39.66 90.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.38 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 1.135 ' O ' ' HG2' ' A' ' 12' ' ' DBB . 13.8 p90 -60.77 -53.9 51.7 Favored 'General case' 0 C--O 1.219 -0.538 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.533 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' DBB . . . . . 1.135 ' HG2' ' O ' ' A' ' 11' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.794 HD11 ' O ' ' A' ' 10' ' ' ARG . 1.3 mp 57.14 8.78 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.315 -178.026 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.556 ' CG ' HG13 ' A' ' 15' ' ' VAL . 0.0 OUTLIER 162.05 -15.99 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.46 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.687 HG23 ' HB2' ' A' ' 12' ' ' DBB . 23.8 m -147.02 -121.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.468 -179.648 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.665 ' SG ' ' C ' ' A' ' 11' ' ' PHE . 0.7 OUTLIER . . . . . 0 C--O 1.214 -0.771 0 CA-C-O 118.02 -0.991 . . . . 0.0 110.846 179.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.805 ' HB2' HG22 ' A' ' 15' ' ' VAL . 3.2 t80 -100.61 86.26 3.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.544 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.435 ' HA ' ' HG1' ' A' ' 7' ' ' DBB . 0.1 OUTLIER -103.16 132.72 49.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.769 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.957 HG22 ' HB2' ' A' ' 9' ' ' ASN . 21.8 m -118.54 128.63 75.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.279 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.695 ' HG3' ' HB3' ' A' ' 8' ' ' ALA . 0.9 OUTLIER 39.13 70.96 0.18 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.76 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.658 ' O ' ' C ' ' A' ' 7' ' ' DBB . . . 63.72 77.98 0.21 Allowed Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' DBB . . . . . 0.89 ' HG2' ' H ' ' A' ' 9' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.695 ' HB3' ' HG3' ' A' ' 5' ' ' GLN . . . -105.9 24.92 11.56 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.486 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.957 ' HB2' HG22 ' A' ' 4' ' ' VAL . 57.6 t30 -88.05 108.88 19.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.562 -179.737 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.546 ' HD2' ' O ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -121.08 15.92 11.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.375 179.836 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.861 ' C ' ' HG2' ' A' ' 12' ' ' DBB . 16.3 p90 -117.66 -21.42 8.52 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.045 -179.6 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' DBB . . . . . 0.861 ' HG2' ' C ' ' A' ' 11' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.828 ' N ' HD13 ' A' ' 13' ' ' ILE . 1.0 OUTLIER -46.83 -34.08 2.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.593 -179.433 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.557 ' O ' ' OD1' ' A' ' 14' ' ' ASN . 24.8 t-20 -103.76 40.69 1.39 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.453 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.805 HG22 ' HB2' ' A' ' 2' ' ' PHE . 8.1 t 69.72 62.6 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.355 -179.794 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.756 ' SG ' ' O ' ' A' ' 11' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 118.007 -0.997 . . . . 0.0 110.732 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.879 ' CZ ' HG13 ' A' ' 4' ' ' VAL . 7.5 t80 -109.41 122.09 46.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.654 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.3 m -135.22 108.36 7.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.741 179.515 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.879 HG13 ' CZ ' ' A' ' 2' ' ' PHE . 1.6 m -64.7 -41.32 91.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.086 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -167.38 98.04 0.5 Allowed 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.693 -0.403 . . . . 0.0 111.03 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 68.78 26.01 74.81 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 179.595 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' DBB . . . . . 0.831 ' HG2' ' H ' ' A' ' 9' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -89.88 4.04 51.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.847 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.831 ' H ' ' HG2' ' A' ' 7' ' ' DBB . 63.7 t-20 -83.61 102.77 12.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.947 0.403 . . . . 0.0 110.676 -179.482 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -100.25 7.08 44.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.316 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.895 ' O ' ' HG2' ' A' ' 12' ' ' DBB . 0.8 OUTLIER -114.7 -75.0 0.59 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.098 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' DBB . . . . . 0.895 ' HG2' ' O ' ' A' ' 11' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.754 HD12 ' O ' ' A' ' 11' ' ' PHE . 1.5 mt 47.2 13.9 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 CA-C-N 114.685 -1.143 . . . . 0.0 110.369 -179.403 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.581 ' ND2' ' O ' ' A' ' 13' ' ' ILE . 7.5 m120 -168.81 -34.74 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.343 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.857 HG22 ' N ' ' A' ' 16' ' ' CYS . 0.7 OUTLIER -164.71 -87.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.016 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.857 ' N ' HG22 ' A' ' 15' ' ' VAL . 1.2 m . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.942 -1.027 . . . . 0.0 110.447 -179.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.558 ' O ' ' CD2' ' A' ' 1' ' ' PHE . 81.6 t80 . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.975 ' CZ ' HG13 ' A' ' 4' ' ' VAL . 5.6 t80 -107.1 117.36 33.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.621 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.1 m -139.25 102.25 4.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.834 179.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.975 HG13 ' CZ ' ' A' ' 2' ' ' PHE . 1.1 m -64.42 -44.97 97.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.721 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.592 ' O ' ' N ' ' A' ' 7' ' ' DBB . 86.1 mm-40 -142.86 107.45 4.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.196 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 39.45 20.88 0.02 OUTLIER Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' DBB . . . . . 0.819 ' HG2' ' H ' ' A' ' 9' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.511 ' N ' ' O ' ' A' ' 5' ' ' GLN . . . -98.18 28.04 4.27 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.46 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.819 ' H ' ' HG2' ' A' ' 7' ' ' DBB . 53.7 t-20 -87.93 101.16 13.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.7 -179.584 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.548 ' HD2' ' N ' ' A' ' 10' ' ' ARG . 2.6 mmm-85 -106.19 38.65 1.98 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.917 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.834 ' C ' ' HG2' ' A' ' 12' ' ' DBB . 16.0 p90 -153.05 -14.72 0.15 Allowed 'General case' 0 CA--C 1.51 -0.568 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.185 -179.569 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' DBB . . . . . 1.019 ' HG3' HD12 ' A' ' 13' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 1.019 HD12 ' HG3' ' A' ' 12' ' ' DBB . 0.5 OUTLIER -33.34 -49.14 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.885 -178.652 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.558 ' O ' ' HB ' ' A' ' 15' ' ' VAL . 99.1 m-20 -63.0 -40.62 98.34 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.522 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.769 HG22 ' O ' ' A' ' 15' ' ' VAL . 2.6 p 157.67 9.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.493 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.823 ' SG ' ' O ' ' A' ' 11' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 118.128 -0.939 . . . . 0.0 110.954 -179.711 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.583 ' CZ ' ' CG1' ' A' ' 4' ' ' VAL . 7.4 t80 -115.87 109.81 18.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.594 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.407 ' HA ' ' HG1' ' A' ' 7' ' ' DBB . 0.1 OUTLIER -122.42 134.4 54.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.603 179.752 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.583 ' CG1' ' CZ ' ' A' ' 2' ' ' PHE . 13.2 m -118.7 130.28 73.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.267 179.625 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.572 ' HG3' ' HB3' ' A' ' 8' ' ' ALA . 2.6 pt20 38.04 71.9 0.14 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.755 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.658 ' O ' ' C ' ' A' ' 7' ' ' DBB . . . 62.27 76.58 0.25 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 179.79 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' DBB . . . . . 0.68 ' HG2' ' H ' ' A' ' 9' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.572 ' HB3' ' HG3' ' A' ' 5' ' ' GLN . . . -109.46 46.99 0.96 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.778 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.68 ' H ' ' HG2' ' A' ' 7' ' ' DBB . 2.2 t-20 -73.61 -84.79 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.239 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.6 ' HD2' ' N ' ' A' ' 10' ' ' ARG . 2.0 mpt_? 59.88 45.2 12.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.979 0.418 . . . . 0.0 111.178 179.081 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.85 ' C ' ' HG2' ' A' ' 12' ' ' DBB . 5.9 p90 173.2 -15.94 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.152 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' DBB . . . . . 0.85 ' HG2' ' C ' ' A' ' 11' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.711 ' N ' HD13 ' A' ' 13' ' ' ILE . 1.5 mm -44.56 -51.83 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.25 -178.749 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.917 ' O ' HG13 ' A' ' 15' ' ' VAL . 55.1 t30 -63.59 -40.78 97.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.813 0.339 . . . . 0.0 110.755 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.917 HG13 ' O ' ' A' ' 14' ' ' ASN . 0.0 OUTLIER 171.93 -49.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.988 0.423 . . . . 0.0 110.162 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.714 ' SG ' ' O ' ' A' ' 11' ' ' PHE . 1.2 m . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.874 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.672 ' CD2' ' ND2' ' A' ' 9' ' ' ASN . 5.6 t80 -66.66 -20.96 66.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.543 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.584 ' C ' ' O ' ' A' ' 2' ' ' PHE . 0.8 OUTLIER -24.58 98.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.142 -179.503 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.587 HG13 ' CZ ' ' A' ' 2' ' ' PHE . 11.5 m -63.45 -44.66 98.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.597 -179.302 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.571 ' HG3' ' HB3' ' A' ' 8' ' ' ALA . 1.6 pt20 -153.36 112.51 3.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.536 -179.704 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 45.35 27.77 1.95 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' DBB . . . . . 0.891 ' HG2' ' H ' ' A' ' 9' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.571 ' HB3' ' HG3' ' A' ' 5' ' ' GLN . . . -116.56 31.71 6.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.526 179.655 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.891 ' H ' ' HG2' ' A' ' 7' ' ' DBB . 80.2 m-20 -56.37 -86.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.568 -179.551 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.574 ' O ' ' HB3' ' A' ' 11' ' ' PHE . 3.4 mpt_? 62.54 50.32 3.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.557 -179.571 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.784 ' C ' ' HG2' ' A' ' 12' ' ' DBB . 2.2 p90 168.25 0.25 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.564 -178.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' DBB . . . . . 0.784 ' HG2' ' C ' ' A' ' 11' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.795 ' N ' HD13 ' A' ' 13' ' ' ILE . 1.6 mm -63.16 134.72 28.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.551 -179.429 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.709 ' C ' HG23 ' A' ' 15' ' ' VAL . 65.3 t30 70.8 33.71 2.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.545 -179.338 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.709 HG23 ' C ' ' A' ' 14' ' ' ASN . 3.8 t 87.82 112.07 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.485 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.65 ' OXT' ' SG ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.221 -0.432 0 CA-C-O 117.999 -1.0 . . . . 0.0 110.515 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 87.9 t80 . . . . . 0 N--CA 1.492 1.647 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.876 ' CZ ' HG13 ' A' ' 4' ' ' VAL . 13.4 t80 -110.32 116.95 32.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.123 179.721 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.583 ' O ' HG23 ' A' ' 4' ' ' VAL . 0.1 OUTLIER -132.88 29.59 4.1 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.003 179.86 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.876 HG13 ' CZ ' ' A' ' 2' ' ' PHE . 0.9 OUTLIER 40.07 -104.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 C-N-CA 120.434 -0.507 . . . . 0.0 110.273 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.414 ' H ' HG23 ' A' ' 4' ' ' VAL . 82.6 mm-40 -86.08 -72.78 0.48 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.72 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -131.55 6.19 5.56 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' DBB . . . . . 0.621 ' HG2' ' H ' ' A' ' 9' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -113.42 38.08 3.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.106 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.657 ' O ' ' CD2' ' A' ' 11' ' ' PHE . 3.0 m120 -54.1 -88.45 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.454 -179.515 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.572 ' NH1' ' O ' ' A' ' 7' ' ' DBB . 9.3 mpt_? 61.1 44.14 10.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.857 0.361 . . . . 0.0 111.287 179.431 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.843 ' C ' ' HG2' ' A' ' 12' ' ' DBB . 3.3 p90 174.89 -22.98 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.875 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' DBB . . . . . 0.843 ' HG2' ' C ' ' A' ' 11' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.563 ' HA ' ' ND2' ' A' ' 9' ' ' ASN . 1.3 mp -60.03 133.21 25.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.584 -178.698 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.52 ' O ' ' CB ' ' A' ' 15' ' ' VAL . 60.9 t-20 59.09 38.49 23.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.295 -179.48 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.584 ' N ' ' HB3' ' A' ' 2' ' ' PHE . 0.4 OUTLIER 83.6 121.81 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.106 -179.911 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.706 ' SG ' ' O ' ' A' ' 11' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 118.024 -0.989 . . . . 0.0 110.78 -179.883 . . . . . . . . 2 2 . 1 stop_ save_