data_2rri_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2rri _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.6 p . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.838 0.352 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.606 ' CD1' ' O ' ' A' ' 6' ' ' PHE . 2.8 t80 -55.1 -23.02 18.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.856 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.0 m -54.39 -39.46 67.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.163 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.435 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.6 OUTLIER -67.75 -45.31 75.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.431 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 1.6 m-80 -67.97 -39.16 83.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -68.81 -46.6 68.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.953 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.509 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.7 OUTLIER -63.96 -44.39 92.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.125 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.509 ' N ' ' CG2' ' A' ' 11' ' ' THR . 0.4 OUTLIER -72.98 -41.26 64.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.461 ' N ' ' HD3' ' A' ' 12' ' ' ARG . 2.8 tm? -63.41 -32.64 74.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.94 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.3 mtp85 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 179.954 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.813 0.34 . . . . 0.0 111.105 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.4 t -69.76 -47.99 67.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.145 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.431 ' O ' HD23 ' A' ' 23' ' ' LEU . 12.5 pttt -54.44 -31.96 56.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.888 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.3 tptt -63.66 -52.99 58.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.722 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -72.93 -50.25 24.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.722 ' N ' ' CD1' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -56.06 -31.2 62.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.913 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.583 ' N ' ' CD2' ' A' ' 23' ' ' LEU . 12.3 t-20 -70.09 -33.54 72.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.509 ' O ' ' CA ' ' A' ' 29' ' ' GLY . 5.7 t -76.91 -34.64 57.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.83 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.505 HD13 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -97.76 -54.69 6.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.124 179.937 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.572 ' CB ' ' O ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -66.08 -34.88 79.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.944 179.893 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.511 ' ND2' ' ND2' ' A' ' 24' ' ' ASN . 4.7 t30 -118.29 10.77 12.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.509 ' CA ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.501 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.876 0.369 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.612 ' CD1' ' O ' ' A' ' 6' ' ' PHE . 2.9 t80 -55.12 -23.05 19.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.0 m -54.43 -39.55 67.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.143 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.422 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.6 OUTLIER -67.74 -44.96 76.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.898 179.907 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -68.05 -39.21 83.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -68.98 -47.38 65.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.512 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.7 OUTLIER -62.46 -44.57 96.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.149 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.512 ' N ' ' CG2' ' A' ' 11' ' ' THR . 2.3 ppt_? -72.97 -34.36 66.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.5 ' CD1' ' O ' ' A' ' 13' ' ' LEU . 1.3 tp -67.03 -31.12 71.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.7 ptt-85 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 179.979 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.849 0.357 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.2 t -68.63 -46.66 79.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.126 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.432 ' O ' HD21 ' A' ' 23' ' ' LEU . 2.3 ttmm -54.07 -32.0 53.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.4 mmtt -64.03 -52.86 57.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.719 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -72.98 -50.07 25.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.719 ' N ' ' CD1' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -53.65 -30.97 45.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.532 ' N ' ' CD2' ' A' ' 23' ' ' LEU . 2.5 m120 -70.03 -33.29 71.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.514 ' O ' ' CA ' ' A' ' 29' ' ' GLY . 1.3 t -76.86 -34.26 57.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.82 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.515 HD12 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -98.74 -54.94 6.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.097 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.57 ' CB ' ' O ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -65.56 -32.88 74.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 179.903 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' A' ' 28' ' ' ASN . 4.6 t30 -120.67 10.28 10.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.514 ' CA ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.264 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.47 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.42 HG11 ' N ' ' A' ' 6' ' ' PHE . 3.2 p . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.861 0.363 . . . . 0.0 111.115 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.626 ' CD1' ' O ' ' A' ' 6' ' ' PHE . 3.0 t80 -55.01 -23.01 17.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.892 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.1 m -54.54 -39.56 67.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.163 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.432 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -67.84 -46.04 72.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.836 179.928 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -67.86 -38.39 83.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.553 ' CE1' ' HD2' ' A' ' 14' ' ' ARG . 0.6 OUTLIER -70.05 -44.76 68.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.934 -179.937 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.482 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.7 OUTLIER -66.16 -42.44 88.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.11 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.482 ' N ' ' CG2' ' A' ' 11' ' ' THR . 0.1 OUTLIER -72.83 -32.0 65.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.854 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -73.42 -37.68 65.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.553 ' HD2' ' CE1' ' A' ' 10' ' ' TYR . 6.2 mtp-105 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.823 0.344 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.4 t -69.82 -47.97 66.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.133 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.433 ' O ' ' CB ' ' A' ' 24' ' ' ASN . 11.0 ptmt -54.54 -31.93 57.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? -63.65 -53.01 58.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.727 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -72.92 -50.16 25.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.909 -179.911 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.727 ' N ' ' CD1' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -56.29 -31.21 63.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.951 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.591 ' N ' ' CD2' ' A' ' 23' ' ' LEU . 13.2 t-20 -70.44 -33.33 71.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 29' ' ' GLY . 1.6 t -76.71 -32.9 58.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.514 ' CD1' ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -100.4 -55.02 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.079 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.568 ' N ' ' O ' ' A' ' 23' ' ' LEU . 1.1 tt -65.42 -32.55 74.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.488 ' ND2' ' ND2' ' A' ' 24' ' ' ASN . 4.7 t30 -120.15 10.58 11.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.462 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.3 p . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.852 0.358 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.607 ' CD1' ' O ' ' A' ' 6' ' ' PHE . 2.9 t80 -55.18 -22.96 19.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.0 m -54.53 -39.46 67.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.142 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.422 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.6 OUTLIER -67.75 -44.98 76.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.917 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -67.96 -39.09 83.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -68.93 -47.04 66.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.506 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.7 OUTLIER -63.3 -44.1 95.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.179 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.506 ' N ' ' CG2' ' A' ' 11' ' ' THR . 0.3 OUTLIER -73.02 -38.17 66.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.861 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.408 ' N ' ' HD3' ' A' ' 12' ' ' ARG . 65.5 tp -64.55 -30.55 71.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 15.0 ptt85 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.892 179.93 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.824 0.345 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.1 t -69.89 -48.63 62.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.106 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.438 ' O ' HD22 ' A' ' 23' ' ' LEU . 6.4 ptpt -54.58 -31.63 57.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.891 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.7 tptp -64.13 -52.89 56.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.915 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.728 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -72.93 -50.13 25.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.728 ' N ' ' CD1' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -53.66 -30.92 45.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.903 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.538 ' N ' ' CD2' ' A' ' 23' ' ' LEU . 2.5 m120 -69.93 -33.39 72.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.5 ' O ' ' CA ' ' A' ' 29' ' ' GLY . 7.9 t -76.82 -34.65 57.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.818 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.517 HD13 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -98.24 -54.7 6.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.141 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.576 ' CB ' ' O ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -65.76 -33.93 77.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.885 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' A' ' 28' ' ' ASN . 4.6 t30 -119.39 10.39 11.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.5 ' CA ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.282 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.459 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.6 p . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.849 0.357 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.636 ' CD1' ' O ' ' A' ' 6' ' ' PHE . 3.1 t80 -58.56 -22.86 57.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.1 m -54.02 -40.75 67.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.158 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.409 ' O ' HG21 ' A' ' 11' ' ' THR . 2.0 m-20 -67.47 -44.11 79.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.435 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 1.0 OUTLIER -68.48 -37.35 80.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.907 -179.926 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.438 ' HB2' ' CZ ' ' A' ' 6' ' ' PHE . 0.6 OUTLIER -71.94 -45.2 61.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.947 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.466 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.6 OUTLIER -61.01 -41.58 96.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.136 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.471 ' HD3' ' N ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -72.57 -29.8 63.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.48 ' O ' ' CD2' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -71.84 -32.54 67.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.867 0.365 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.4 t -69.95 -47.83 66.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.085 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.427 ' O ' HD22 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -54.52 -31.86 57.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.418 ' HD2' ' C ' ' A' ' 21' ' ' LYS . 1.0 OUTLIER -63.66 -53.0 58.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.868 179.874 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.73 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -72.96 -50.21 24.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.929 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.73 ' N ' ' CD1' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -56.04 -31.29 63.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.908 179.934 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.595 ' N ' ' CD2' ' A' ' 23' ' ' LEU . 13.4 t-20 -70.41 -33.38 71.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.458 ' O ' ' C ' ' A' ' 29' ' ' GLY . 7.0 t -76.9 -33.26 57.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.837 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.509 HD12 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -99.66 -54.93 6.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.128 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.578 ' CB ' ' O ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -65.52 -34.25 77.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 179.874 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.484 ' ND2' ' O ' ' A' ' 28' ' ' ASN . 4.7 t30 -118.12 10.85 13.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.488 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 8.4 p . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.846 0.355 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.607 ' CD1' ' O ' ' A' ' 6' ' ' PHE . 2.9 t80 -55.13 -23.0 18.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.0 m -54.43 -39.55 67.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.132 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.419 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.7 OUTLIER -67.74 -44.94 76.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -67.96 -39.17 83.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.9 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -68.61 -46.84 68.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.893 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.513 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.7 OUTLIER -63.67 -44.29 94.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.136 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.513 ' N ' ' CG2' ' A' ' 11' ' ' THR . 0.1 OUTLIER -73.03 -38.56 66.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.461 ' N ' ' HD3' ' A' ' 12' ' ' ARG . 2.5 tm? -60.03 -32.43 70.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.95 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.404 ' CD ' ' O ' ' A' ' 11' ' ' THR . 7.0 ptt180 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.816 0.341 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.1 t -69.71 -48.13 66.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.089 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.434 ' O ' HD23 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -54.07 -31.51 51.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.919 179.918 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.2 tmtt? -64.49 -52.98 55.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.72 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -72.95 -49.63 28.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.911 -179.923 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.72 ' N ' ' CD1' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -53.4 -33.42 53.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.574 ' N ' ' CD2' ' A' ' 23' ' ' LEU . 3.5 m120 -70.04 -33.09 71.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.512 ' O ' ' CA ' ' A' ' 29' ' ' GLY . 3.7 t -77.15 -34.54 56.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.82 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.509 ' CD1' ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -100.62 -54.89 6.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.161 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.614 ' CB ' ' O ' ' A' ' 23' ' ' LEU . 5.8 tp -64.58 -27.55 69.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.499 ' ND2' ' O ' ' A' ' 28' ' ' ASN . 4.2 t30 -126.67 8.97 7.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.512 ' CA ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.479 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.9 p . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.832 0.349 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.611 ' CD1' ' O ' ' A' ' 6' ' ' PHE . 2.8 t80 -55.16 -22.94 18.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.87 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.5 m -54.49 -39.45 67.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.142 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.427 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.8 OUTLIER -67.74 -44.94 76.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.856 179.915 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -67.99 -39.17 83.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -69.0 -47.03 66.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.937 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.523 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.7 OUTLIER -63.15 -44.37 95.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.11 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.523 ' N ' ' CG2' ' A' ' 11' ' ' THR . 0.1 OUTLIER -72.98 -37.31 67.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.91 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.487 ' C ' ' CD1' ' A' ' 13' ' ' LEU . 1.9 tm? -63.49 -32.56 74.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.93 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.9 ptt85 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 179.904 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 120.866 0.365 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.1 t -60.05 -47.23 92.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.172 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.437 ' O ' HD21 ' A' ' 23' ' ' LEU . 0.8 OUTLIER -54.0 -31.5 51.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 179.909 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.424 ' N ' ' HG2' ' A' ' 20' ' ' LYS . 3.2 tmmm? -64.38 -53.09 54.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.907 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.731 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -72.89 -49.65 28.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.731 ' N ' ' CD1' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -53.3 -33.55 53.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.916 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.576 ' N ' ' CD2' ' A' ' 23' ' ' LEU . 3.6 m120 -70.31 -33.08 71.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.455 ' O ' ' C ' ' A' ' 29' ' ' GLY . 3.0 t -77.21 -33.35 56.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.86 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.518 HD13 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -102.06 -54.89 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.102 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.605 ' CB ' ' O ' ' A' ' 23' ' ' LEU . 5.9 tp -64.42 -27.65 69.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.489 ' ND2' ' O ' ' A' ' 28' ' ' ASN . 4.2 t30 -125.82 9.11 7.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.856 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.471 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.827 0.346 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.61 ' CD1' ' O ' ' A' ' 6' ' ' PHE . 2.9 t80 -55.09 -23.17 19.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.0 m -54.75 -39.55 68.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.18 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.423 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.9 OUTLIER -67.62 -45.18 76.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 179.902 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.431 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 1.7 m-80 -67.92 -38.93 83.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -68.08 -45.56 73.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.493 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.6 OUTLIER -65.91 -42.58 89.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.178 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.493 ' N ' ' CG2' ' A' ' 11' ' ' THR . 0.1 OUTLIER -74.84 -34.95 62.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.431 ' CB ' ' O ' ' A' ' 9' ' ' ASN . 1.9 tm? -73.57 -42.47 61.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.41 ' HG2' ' O ' ' A' ' 11' ' ' THR . 3.4 ptm180 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.812 0.339 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.4 t -69.85 -47.83 67.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.139 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.431 ' O ' HD22 ' A' ' 23' ' ' LEU . 9.4 ptmt -54.39 -31.96 56.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.69 -52.99 58.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.727 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -72.99 -50.21 24.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.727 ' N ' ' CD1' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -56.03 -31.2 62.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.906 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.592 ' N ' ' CD2' ' A' ' 23' ' ' LEU . 14.5 t-20 -70.36 -33.42 71.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.921 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.459 ' O ' ' C ' ' A' ' 29' ' ' GLY . 8.0 t -76.88 -33.31 57.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.834 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.512 HD13 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -99.65 -54.82 6.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.127 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.576 ' CB ' ' O ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -65.7 -34.12 77.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.943 179.851 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.481 ' ND2' ' O ' ' A' ' 28' ' ' ASN . 4.8 t30 -118.26 10.9 12.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.459 ' C ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.519 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.407 HG12 ' N ' ' A' ' 6' ' ' PHE . 7.3 p . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.884 0.373 . . . . 0.0 111.157 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.615 ' CD1' ' O ' ' A' ' 6' ' ' PHE . 2.9 t80 -55.08 -23.04 18.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.0 m -54.63 -39.36 67.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.138 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.435 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -67.73 -45.32 75.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 179.925 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.442 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 1.6 m-80 -67.89 -39.17 83.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -68.12 -46.82 69.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.506 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.7 OUTLIER -64.47 -44.11 92.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.141 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.506 ' N ' ' CG2' ' A' ' 11' ' ' THR . 0.1 OUTLIER -73.03 -40.39 65.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.442 ' CB ' ' O ' ' A' ' 9' ' ' ASN . 2.7 tm? -63.84 -34.17 77.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.2 mtp180 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.813 179.982 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.818 0.342 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.3 t -69.66 -48.01 67.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.147 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.42 ' O ' HD21 ' A' ' 23' ' ' LEU . 7.0 pttp -54.18 -31.84 53.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.93 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.66 -53.15 55.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.731 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -73.05 -50.54 22.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.731 ' N ' ' CD1' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -54.02 -35.22 61.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.939 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.6 ' N ' ' CD2' ' A' ' 23' ' ' LEU . 11.5 t-20 -69.93 -32.91 71.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.513 ' O ' ' CA ' ' A' ' 29' ' ' GLY . 4.9 t -77.2 -34.93 56.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.872 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.509 ' CD1' ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -100.78 -54.71 6.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.134 179.926 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.622 ' CB ' ' O ' ' A' ' 23' ' ' LEU . 6.3 tp -64.39 -26.72 68.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.931 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.501 ' ND2' ' O ' ' A' ' 28' ' ' ASN . 4.1 t30 -127.54 8.85 6.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.922 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.513 ' CA ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.486 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.7 p . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.85 0.357 . . . . 0.0 111.098 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.632 ' CD1' ' O ' ' A' ' 6' ' ' PHE . 3.1 t80 -57.9 -22.78 50.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.2 m -54.1 -40.73 67.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.143 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.407 ' O ' HG21 ' A' ' 11' ' ' THR . 1.5 m-20 -67.5 -44.06 79.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.835 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.418 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 1.2 m-80 -68.53 -37.33 79.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.453 ' HB2' ' CZ ' ' A' ' 6' ' ' PHE . 0.6 OUTLIER -71.95 -45.44 61.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.858 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.473 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.6 OUTLIER -60.66 -41.6 95.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.121 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.473 ' N ' ' CG2' ' A' ' 11' ' ' THR . 0.4 OUTLIER -72.65 -29.46 63.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.83 -179.908 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.49 ' O ' ' CD2' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -72.77 -32.18 65.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.7 ptt180 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.904 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.843 0.354 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.2 t -69.75 -47.9 67.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.106 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.433 ' O ' HD22 ' A' ' 23' ' ' LEU . 31.6 pttt -54.12 -31.7 53.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.7 tmtt? -64.14 -52.93 56.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.724 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -73.01 -49.93 26.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.94 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.724 ' N ' ' CD1' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -53.74 -30.92 46.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.867 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.525 ' N ' ' CD2' ' A' ' 23' ' ' LEU . 2.6 m120 -70.26 -33.17 71.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.884 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 29' ' ' GLY . 7.9 t -76.76 -33.1 58.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.827 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.516 ' CD1' ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -100.42 -55.05 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.132 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.575 ' N ' ' O ' ' A' ' 23' ' ' LEU . 1.1 tt -65.15 -32.06 73.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.488 ' ND2' ' O ' ' A' ' 28' ' ' ASN . 4.6 t30 -120.74 10.55 10.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.45 -0.376 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.5 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.858 0.361 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.606 ' CD1' ' O ' ' A' ' 6' ' ' PHE . 2.8 t80 -55.15 -22.88 18.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.4 m -54.54 -39.48 67.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.096 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.424 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.6 OUTLIER -67.65 -45.31 75.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.848 179.928 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.406 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 1.6 m-80 -67.91 -39.02 83.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -68.78 -46.36 68.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.934 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.511 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.7 OUTLIER -64.42 -43.75 93.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.18 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.511 ' N ' ' CG2' ' A' ' 11' ' ' THR . 0.0 OUTLIER -72.96 -40.34 65.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.439 ' N ' ' HD3' ' A' ' 12' ' ' ARG . 2.6 tm? -64.6 -33.38 75.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.902 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.9 mtp180 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 179.92 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.818 0.342 . . . . 0.0 111.073 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.404 ' O ' ' HB3' ' A' ' 23' ' ' LEU . 2.2 t -69.78 -48.15 66.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.176 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.442 ' NZ ' ' OD1' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -53.9 -31.14 48.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.867 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.41 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 14.7 tppt? -65.31 -52.95 50.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.728 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -72.87 -49.85 27.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.728 ' N ' ' CD1' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -53.13 -31.15 40.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.952 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.528 ' N ' ' CD2' ' A' ' 23' ' ' LEU . 2.1 m120 -70.77 -33.44 70.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.2 t -76.94 -31.33 56.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.571 ' CD1' ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -102.07 -55.59 5.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.173 179.926 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.571 ' N ' ' CD1' ' A' ' 26' ' ' ILE . 1.1 tt -64.67 -33.14 75.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.974 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.502 ' O ' ' CG ' ' A' ' 28' ' ' ASN . 5.2 t30 -118.07 13.46 13.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 28' ' ' ASN . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.482 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 5.6 p . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.854 0.359 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.607 ' CD1' ' O ' ' A' ' 6' ' ' PHE . 2.8 t80 -55.16 -23.04 19.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.0 m -54.53 -39.47 67.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.156 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.418 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.5 OUTLIER -67.71 -45.02 76.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 179.868 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.407 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 1.6 m-80 -67.9 -39.19 83.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -68.44 -46.91 68.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.507 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.7 OUTLIER -63.72 -44.35 93.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.193 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.507 ' N ' ' CG2' ' A' ' 11' ' ' THR . 0.7 OUTLIER -72.94 -38.88 66.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.434 ' N ' ' HD3' ' A' ' 12' ' ' ARG . 2.4 tm? -61.58 -32.47 72.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.952 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.2 ptt180 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.856 179.95 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.904 0.383 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.408 ' HA ' ' CD2' ' A' ' 22' ' ' TYR . 2.1 t -69.74 -49.49 57.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.131 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.494 ' HG3' ' N ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -54.84 -30.81 58.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.871 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.494 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 16.9 mmtt -65.19 -52.77 52.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.732 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -72.93 -49.5 29.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.909 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.732 ' N ' ' CD1' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -53.49 -33.77 55.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.579 ' N ' ' CD2' ' A' ' 23' ' ' LEU . 3.5 m120 -70.02 -33.14 71.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.498 ' O ' ' CA ' ' A' ' 29' ' ' GLY . 2.5 t -77.12 -34.52 56.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.519 HD11 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -100.57 -54.9 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.136 179.932 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.609 ' CB ' ' O ' ' A' ' 23' ' ' LEU . 5.8 tp -64.57 -27.7 69.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.499 ' ND2' ' O ' ' A' ' 28' ' ' ASN . 4.2 t30 -126.45 8.92 7.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.498 ' CA ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.498 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.0 p . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.923 0.392 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.613 ' CD1' ' O ' ' A' ' 6' ' ' PHE . 2.8 t80 -55.1 -22.99 18.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.9 m -54.55 -39.47 67.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.102 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.433 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -67.74 -45.36 75.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 179.931 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.474 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.9 OUTLIER -67.82 -39.14 83.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.845 -179.884 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.646 ' CZ ' ' NE ' ' A' ' 14' ' ' ARG . 0.8 OUTLIER -68.22 -45.81 72.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 -179.898 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.519 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.6 OUTLIER -65.76 -44.5 85.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.144 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.519 ' N ' ' CG2' ' A' ' 11' ' ' THR . 0.0 OUTLIER -73.02 -37.81 66.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.474 ' CB ' ' O ' ' A' ' 9' ' ' ASN . 2.8 tm? -67.45 -32.54 73.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.646 ' NE ' ' CZ ' ' A' ' 10' ' ' TYR . 28.0 mtm180 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.855 0.36 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.3 t -64.29 -46.94 91.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.107 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.447 ' HG2' ' N ' ' A' ' 21' ' ' LYS . 2.8 ptmt -54.0 -31.86 52.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.927 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.447 ' N ' ' HG2' ' A' ' 20' ' ' LYS . 2.7 mmmp? -63.79 -53.22 54.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.858 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.726 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -72.94 -50.53 22.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.933 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.726 ' N ' ' CD1' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -53.84 -32.96 54.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.6 ' N ' ' CD2' ' A' ' 23' ' ' LEU . 15.2 t-20 -72.17 -33.08 67.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.6 t -77.72 -24.6 49.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.582 ' CD1' ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -112.21 -55.72 4.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.122 179.915 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.613 ' N ' ' O ' ' A' ' 23' ' ' LEU . 6.1 tp -63.34 -28.23 69.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.896 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.461 ' O ' ' CG ' ' A' ' 28' ' ' ASN . 4.3 t30 -119.47 8.46 11.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.872 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.506 179.966 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.874 0.368 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.622 ' CD1' ' O ' ' A' ' 6' ' ' PHE . 2.9 t80 -55.18 -22.86 19.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.1 m -54.18 -39.85 66.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.129 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.43 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.4 OUTLIER -67.68 -45.02 76.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.943 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.409 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 1.1 m-80 -67.85 -38.29 82.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -71.28 -47.63 55.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.477 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.7 OUTLIER -61.49 -42.41 98.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.101 -179.935 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.477 ' N ' ' CG2' ' A' ' 11' ' ' THR . 0.1 OUTLIER -73.06 -38.22 66.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.8 tp -73.41 -31.23 63.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.923 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.876 0.37 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.2 t -69.71 -47.95 67.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.437 ' O ' HD21 ' A' ' 23' ' ' LEU . 6.6 pttm -54.12 -31.68 52.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.8 tmtt? -64.19 -52.94 56.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.731 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -72.96 -50.03 25.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.731 ' N ' ' CD1' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -53.62 -30.97 45.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.913 179.944 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.53 ' N ' ' CD2' ' A' ' 23' ' ' LEU . 2.6 m120 -70.17 -33.25 71.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.458 ' O ' ' C ' ' A' ' 29' ' ' GLY . 7.4 t -76.83 -33.43 57.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.514 HD12 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -99.84 -54.95 6.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.149 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.573 ' CB ' ' O ' ' A' ' 23' ' ' LEU . 1.1 tt -65.35 -33.53 76.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' A' ' 28' ' ' ASN . 4.7 t30 -119.02 10.99 12.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.467 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.456 HG12 ' N ' ' A' ' 6' ' ' PHE . 7.6 p . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.845 0.355 . . . . 0.0 111.075 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.627 ' CD1' ' O ' ' A' ' 6' ' ' PHE . 3.1 t80 -58.11 -22.69 51.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.1 m -53.89 -40.55 66.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.098 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.425 ' O ' HG21 ' A' ' 11' ' ' THR . 0.5 OUTLIER -67.59 -43.84 79.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.846 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.426 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 1.2 m-80 -68.76 -37.49 79.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.879 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.413 ' HB2' ' CZ ' ' A' ' 6' ' ' PHE . 0.6 OUTLIER -71.72 -45.45 61.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.973 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.508 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.6 OUTLIER -60.82 -43.87 97.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.201 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.508 ' N ' ' CG2' ' A' ' 11' ' ' THR . 0.2 OUTLIER -69.21 -34.58 75.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.483 ' O ' ' CD2' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -67.83 -32.46 73.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.84 179.976 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.844 0.354 . . . . 0.0 111.066 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.3 t -69.57 -47.6 70.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.442 ' HG3' ' N ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -54.02 -31.9 52.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 179.899 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.442 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 33.7 tptt -63.58 -53.24 54.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.727 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -73.06 -50.46 22.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.914 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.727 ' N ' ' CD1' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -54.08 -35.12 61.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.951 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.601 ' N ' ' CD2' ' A' ' 23' ' ' LEU . 12.9 t-20 -69.99 -32.91 71.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.507 ' O ' ' CA ' ' A' ' 29' ' ' GLY . 4.7 t -77.18 -34.84 56.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.846 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.517 HD12 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -100.91 -54.7 6.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.12 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.615 ' CB ' ' O ' ' A' ' 23' ' ' LEU . 6.1 tp -64.37 -26.73 68.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.95 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' A' ' 28' ' ' ASN . 4.1 t30 -127.59 8.87 6.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.507 ' CA ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.543 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.459 ' O ' ' CG ' ' A' ' 8' ' ' ASP . 3.8 p . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.878 0.37 . . . . 0.0 111.129 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.602 ' CD1' ' O ' ' A' ' 6' ' ' PHE . 2.8 t80 -69.26 -22.33 63.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.0 m -54.74 -41.25 70.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.155 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.497 ' OD1' ' N ' ' A' ' 9' ' ' ASN . 1.8 p30 -67.45 -44.26 79.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.497 ' N ' ' OD1' ' A' ' 8' ' ' ASP . 0.9 OUTLIER -67.75 -39.01 84.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -69.4 -46.31 67.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.928 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.504 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.7 OUTLIER -64.25 -43.69 94.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.117 -179.938 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.504 ' N ' ' CG2' ' A' ' 11' ' ' THR . 0.0 OUTLIER -72.92 -41.37 64.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.457 ' N ' ' HD3' ' A' ' 12' ' ' ARG . 3.1 tm? -63.89 -32.97 74.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.4 mtp180 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 179.941 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.861 0.362 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.2 t -69.69 -47.92 68.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.116 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.427 ' O ' HD23 ' A' ' 23' ' ' LEU . 11.3 pttp -54.18 -31.87 53.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.1 tmmm? -63.58 -53.18 55.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.722 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -73.04 -50.56 22.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 -179.931 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.722 ' N ' ' CD1' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -53.83 -35.38 61.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.972 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.601 ' N ' ' CD2' ' A' ' 23' ' ' LEU . 12.7 t-20 -69.95 -32.91 71.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.873 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.51 ' O ' ' CA ' ' A' ' 29' ' ' GLY . 16.8 t -77.16 -34.77 56.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.519 HD12 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -100.99 -54.71 6.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.105 179.933 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.621 ' CB ' ' O ' ' A' ' 23' ' ' LEU . 6.0 tp -64.33 -26.58 68.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.949 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 28' ' ' ASN . 4.1 t30 -127.75 8.69 6.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.51 ' CA ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.458 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.1 p . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.843 0.354 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.624 ' CD1' ' O ' ' A' ' 6' ' ' PHE . 2.9 t80 -55.13 -22.92 18.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.1 m -54.27 -39.77 67.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.43 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.8 OUTLIER -67.74 -45.29 75.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.834 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -67.84 -38.22 82.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -70.87 -45.58 64.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.472 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.7 OUTLIER -64.68 -41.47 96.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.121 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.472 ' N ' ' CG2' ' A' ' 11' ' ' THR . 0.1 OUTLIER -73.78 -35.88 65.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.875 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -73.62 -39.97 64.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.402 ' HG3' ' O ' ' A' ' 11' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.793 0.33 . . . . 0.0 111.084 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.2 t -69.71 -49.41 58.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.109 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.507 ' HG3' ' N ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -55.21 -31.13 61.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.862 179.917 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.507 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 1.9 tmmm? -64.38 -52.85 56.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.867 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.723 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -73.01 -50.44 23.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.925 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.723 ' N ' ' CD1' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -54.22 -35.02 61.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.904 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.607 ' N ' ' CD2' ' A' ' 23' ' ' LEU . 12.0 t-20 -70.21 -32.72 70.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.865 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 29' ' ' GLY . 7.3 t -77.3 -33.99 55.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.515 ' CD1' ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -101.93 -54.75 6.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.171 179.918 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.622 ' CB ' ' O ' ' A' ' 23' ' ' LEU . 7.7 tp -64.16 -27.07 68.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 28' ' ' ASN . 4.2 t30 -126.54 9.25 7.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.459 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.3 p . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.838 0.352 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.624 ' CD1' ' O ' ' A' ' 6' ' ' PHE . 2.8 t80 -55.17 -23.05 19.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.0 m -54.59 -39.36 67.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.17 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.435 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -67.56 -45.5 75.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.873 179.901 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.409 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 1.7 m-80 -67.99 -39.17 83.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.501 ' CE1' ' HD2' ' A' ' 14' ' ' ARG . 0.8 OUTLIER -69.27 -46.79 66.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 -179.918 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.509 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.7 OUTLIER -63.49 -44.17 95.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.136 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.509 ' N ' ' CG2' ' A' ' 11' ' ' THR . 0.5 OUTLIER -72.98 -38.94 66.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.466 ' C ' ' CD1' ' A' ' 13' ' ' LEU . 2.9 tm? -66.63 -32.53 73.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.501 ' HD2' ' CE1' ' A' ' 10' ' ' TYR . 14.6 mtp180 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.833 0.349 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.1 t -69.54 -49.66 57.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.115 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.505 ' HG3' ' N ' ' A' ' 21' ' ' LYS . 7.4 pttp -55.08 -30.89 60.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.505 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 9.7 tppt? -64.98 -52.75 54.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.849 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.716 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -72.94 -49.83 27.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.918 -179.914 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.716 ' N ' ' CD1' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -53.82 -30.98 47.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.549 ' N ' ' CD2' ' A' ' 23' ' ' LEU . 2.5 m120 -70.32 -33.2 71.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 29' ' ' GLY . 8.4 t -76.62 -33.12 58.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.513 HD13 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -100.36 -55.0 6.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.158 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.575 ' CB ' ' O ' ' A' ' 23' ' ' LEU . 1.1 tt -65.09 -32.92 74.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.484 ' ND2' ' O ' ' A' ' 28' ' ' ASN . 4.6 t30 -119.83 10.18 11.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.49 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.3 p . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.9 0.381 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.612 ' CD1' ' O ' ' A' ' 6' ' ' PHE . 2.8 t80 -55.15 -22.96 18.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.0 m -54.62 -39.24 67.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.16 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.439 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -67.73 -45.49 74.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.892 179.892 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.443 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 1.6 m-80 -67.91 -39.18 83.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.542 ' CE1' ' HD2' ' A' ' 14' ' ' ARG . 0.9 OUTLIER -68.62 -47.24 67.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.89 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.519 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.7 OUTLIER -63.44 -44.22 95.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.134 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.519 ' N ' ' CG2' ' A' ' 11' ' ' THR . 0.1 OUTLIER -73.14 -41.14 64.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.443 ' CB ' ' O ' ' A' ' 9' ' ' ASN . 6.4 tp -65.26 -31.05 72.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.542 ' HD2' ' CE1' ' A' ' 10' ' ' TYR . 3.4 mtp-105 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.875 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.82 0.343 . . . . 0.0 111.063 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.4 ' O ' ' HB3' ' A' ' 23' ' ' LEU . 2.2 t -69.43 -49.42 60.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.135 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.501 ' HG3' ' N ' ' A' ' 21' ' ' LYS . 1.0 OUTLIER -55.41 -31.06 61.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.89 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.501 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 1.2 tmtm? -64.36 -52.82 56.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.719 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -72.98 -50.45 23.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.719 ' N ' ' CD1' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -54.6 -34.78 62.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.94 179.927 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.605 ' N ' ' CD2' ' A' ' 23' ' ' LEU . 11.5 t-20 -70.15 -32.73 70.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 29' ' ' GLY . 1.9 t -77.27 -34.01 55.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.517 HD11 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -102.14 -54.65 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.147 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.621 ' CB ' ' O ' ' A' ' 23' ' ' LEU . 6.5 tp -64.22 -26.72 68.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.502 ' ND2' ' O ' ' A' ' 28' ' ' ASN . 4.1 t30 -126.86 8.97 6.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.499 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.8 p . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.832 0.349 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.616 ' CD1' ' O ' ' A' ' 6' ' ' PHE . 2.8 t80 -55.17 -22.94 19.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.0 m -54.47 -39.51 67.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.133 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.433 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.6 OUTLIER -67.65 -45.28 75.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.907 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.429 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 1.6 m-80 -67.9 -39.13 83.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -68.63 -46.6 68.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.893 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.521 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.7 OUTLIER -64.22 -44.12 92.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.158 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.521 ' N ' ' CG2' ' A' ' 11' ' ' THR . 0.6 OUTLIER -73.03 -40.83 64.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.833 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.429 ' CB ' ' O ' ' A' ' 9' ' ' ASN . 2.9 tm? -63.51 -33.79 76.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.0 mtp85 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.935 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.796 0.331 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.2 t -70.43 -46.89 68.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.153 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.429 ' O ' HD21 ' A' ' 23' ' ' LEU . 4.6 ttpp -54.46 -33.6 59.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.4 mmmt -61.78 -52.73 63.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.728 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -73.36 -50.58 21.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.728 ' N ' ' CD1' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -54.72 -34.18 62.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.598 ' N ' ' CD2' ' A' ' 23' ' ' LEU . 12.4 t-20 -70.31 -32.91 70.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.458 ' O ' ' C ' ' A' ' 29' ' ' GLY . 7.5 t -77.11 -33.59 56.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.519 ' CD1' ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -101.99 -54.87 6.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.119 179.93 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.612 ' CB ' ' O ' ' A' ' 23' ' ' LEU . 5.9 tp -64.32 -27.64 69.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' A' ' 28' ' ' ASN . 4.2 t30 -125.8 8.95 7.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.9 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.45 -0.374 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.475 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 9.5 m80 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.834 0.349 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.5 p -70.9 -49.82 41.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.5 p30 -121.99 164.93 16.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 62.74 24.98 14.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.154 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.6 p -68.19 -23.83 29.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.153 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.606 ' CD1' ' O ' ' A' ' 6' ' ' PHE . 2.8 t80 -55.1 -23.02 18.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.856 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.0 m -54.39 -39.46 67.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.163 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.435 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.6 OUTLIER -67.75 -45.31 75.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.431 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 1.6 m-80 -67.97 -39.16 83.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -68.81 -46.6 68.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.953 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.509 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.7 OUTLIER -63.96 -44.39 92.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.125 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.509 ' N ' ' CG2' ' A' ' 11' ' ' THR . 0.4 OUTLIER -72.98 -41.26 64.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.461 ' N ' ' HD3' ' A' ' 12' ' ' ARG . 2.8 tm? -63.41 -32.64 74.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.94 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.3 mtp85 -57.46 -32.23 66.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.424 ' HG2' ' N ' ' A' ' 16' ' ' GLN . 11.8 pttt -69.12 -37.39 78.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.424 ' N ' ' HG2' ' A' ' 15' ' ' LYS . 5.1 mm-40 -62.39 -35.89 80.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.6 mmt -54.24 -33.07 57.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.81 -49.54 72.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.105 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.4 t -69.76 -47.99 67.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.145 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.431 ' O ' HD23 ' A' ' 23' ' ' LEU . 12.5 pttt -54.44 -31.96 56.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.888 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.3 tptt -63.66 -52.99 58.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.722 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -72.93 -50.25 24.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.722 ' N ' ' CD1' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -56.06 -31.2 62.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.913 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.583 ' N ' ' CD2' ' A' ' 23' ' ' LEU . 12.3 t-20 -70.09 -33.54 72.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.509 ' O ' ' CA ' ' A' ' 29' ' ' GLY . 5.7 t -76.91 -34.64 57.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.83 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.505 HD13 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -97.76 -54.69 6.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.124 179.937 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.572 ' CB ' ' O ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -66.08 -34.88 79.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.944 179.893 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.511 ' ND2' ' ND2' ' A' ' 24' ' ' ASN . 4.7 t30 -118.29 10.77 12.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.509 ' CA ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.501 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 40.5 m80 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.803 0.335 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.1 m -107.45 144.08 34.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.904 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -145.3 171.32 14.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -104.37 -50.71 3.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.089 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.1 p -59.71 -35.04 57.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.612 ' CD1' ' O ' ' A' ' 6' ' ' PHE . 2.9 t80 -55.12 -23.05 19.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.0 m -54.43 -39.55 67.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.143 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.422 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.6 OUTLIER -67.74 -44.96 76.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.898 179.907 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -68.05 -39.21 83.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -68.98 -47.38 65.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.512 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.7 OUTLIER -62.46 -44.57 96.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.149 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.512 ' N ' ' CG2' ' A' ' 11' ' ' THR . 2.3 ppt_? -72.97 -34.36 66.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.5 ' CD1' ' O ' ' A' ' 13' ' ' LEU . 1.3 tp -67.03 -31.12 71.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.7 ptt-85 -55.35 -22.59 19.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.451 ' CD ' ' O ' ' A' ' 12' ' ' ARG . 7.1 ptmt -70.28 -37.05 74.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.441 ' NE2' ' HA ' ' A' ' 16' ' ' GLN . 6.4 mm-40 -67.25 -44.23 79.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -78.42 -17.62 56.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.05 -51.84 39.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.15 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.2 t -68.63 -46.66 79.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.126 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.432 ' O ' HD21 ' A' ' 23' ' ' LEU . 2.3 ttmm -54.07 -32.0 53.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.4 mmtt -64.03 -52.86 57.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.719 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -72.98 -50.07 25.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.719 ' N ' ' CD1' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -53.65 -30.97 45.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.532 ' N ' ' CD2' ' A' ' 23' ' ' LEU . 2.5 m120 -70.03 -33.29 71.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.514 ' O ' ' CA ' ' A' ' 29' ' ' GLY . 1.3 t -76.86 -34.26 57.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.82 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.515 HD12 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -98.74 -54.94 6.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.097 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.57 ' CB ' ' O ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -65.56 -32.88 74.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 179.903 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' A' ' 28' ' ' ASN . 4.6 t30 -120.67 10.28 10.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.514 ' CA ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.264 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.47 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 31.3 m80 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.817 0.341 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.7 p -57.13 140.26 49.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -103.35 -49.02 3.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.859 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -173.69 105.61 0.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.42 HG11 ' N ' ' A' ' 6' ' ' PHE . 3.2 p -88.34 -40.99 13.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.626 ' CD1' ' O ' ' A' ' 6' ' ' PHE . 3.0 t80 -55.01 -23.01 17.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.892 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.1 m -54.54 -39.56 67.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.163 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.432 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -67.84 -46.04 72.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.836 179.928 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -67.86 -38.39 83.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.553 ' CE1' ' HD2' ' A' ' 14' ' ' ARG . 0.6 OUTLIER -70.05 -44.76 68.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.934 -179.937 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.482 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.7 OUTLIER -66.16 -42.44 88.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.11 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.499 ' O ' ' CG ' ' A' ' 15' ' ' LYS . 0.1 OUTLIER -72.83 -32.0 65.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.854 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -73.42 -37.68 65.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.553 ' HD2' ' CE1' ' A' ' 10' ' ' TYR . 6.2 mtp-105 -56.67 -44.1 81.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.499 ' CG ' ' O ' ' A' ' 12' ' ' ARG . 2.9 ptmm? -65.57 -36.83 84.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.467 ' NE2' ' HA ' ' A' ' 16' ' ' GLN . 7.6 mm-40 -56.22 -26.61 51.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.47 ' HA ' ' CD ' ' A' ' 20' ' ' LYS . 18.3 mmm -55.27 -32.71 62.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.66 -52.03 62.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.093 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.4 t -69.82 -47.97 66.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.133 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.47 ' CD ' ' HA ' ' A' ' 17' ' ' MET . 11.0 ptmt -54.54 -31.93 57.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? -63.65 -53.01 58.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.727 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -72.92 -50.16 25.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.909 -179.911 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.727 ' N ' ' CD1' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -56.29 -31.21 63.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.951 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.591 ' N ' ' CD2' ' A' ' 23' ' ' LEU . 13.2 t-20 -70.44 -33.33 71.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 29' ' ' GLY . 1.6 t -76.71 -32.9 58.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.514 ' CD1' ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -100.4 -55.02 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.079 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.568 ' N ' ' O ' ' A' ' 23' ' ' LEU . 1.1 tt -65.42 -32.55 74.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.488 ' ND2' ' ND2' ' A' ' 24' ' ' ASN . 4.7 t30 -120.15 10.58 11.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.462 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 10.2 m170 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.823 0.344 . . . . 0.0 110.821 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.2 t -122.29 91.96 3.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.873 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -136.01 135.98 39.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.853 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.66 -42.25 61.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.101 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.3 p -63.17 -35.61 72.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.108 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.607 ' CD1' ' O ' ' A' ' 6' ' ' PHE . 2.9 t80 -55.18 -22.96 19.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.0 m -54.53 -39.46 67.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.142 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.422 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.6 OUTLIER -67.75 -44.98 76.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.917 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -67.96 -39.09 83.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -68.93 -47.04 66.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.506 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.7 OUTLIER -63.3 -44.1 95.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.179 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.506 ' N ' ' CG2' ' A' ' 11' ' ' THR . 0.3 OUTLIER -73.02 -38.17 66.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.861 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.408 ' N ' ' HD3' ' A' ' 12' ' ' ARG . 65.5 tp -64.55 -30.55 71.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 15.0 ptt85 -54.68 -23.38 17.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.892 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.3 pttp -70.48 -36.66 73.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.441 ' NE2' ' HA ' ' A' ' 16' ' ' GLN . 9.6 mm-40 -56.2 -29.49 60.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.439 ' HA ' ' CE ' ' A' ' 20' ' ' LYS . 6.4 mtt -61.73 -17.61 56.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.71 -47.08 82.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.112 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.1 t -69.89 -48.63 62.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.106 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.439 ' CE ' ' HA ' ' A' ' 17' ' ' MET . 6.4 ptpt -54.58 -31.63 57.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.891 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.7 tptp -64.13 -52.89 56.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.915 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.728 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -72.93 -50.13 25.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.728 ' N ' ' CD1' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -53.66 -30.92 45.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.903 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.538 ' N ' ' CD2' ' A' ' 23' ' ' LEU . 2.5 m120 -69.93 -33.39 72.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.5 ' O ' ' CA ' ' A' ' 29' ' ' GLY . 7.9 t -76.82 -34.65 57.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.818 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.517 HD13 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -98.24 -54.7 6.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.141 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.576 ' CB ' ' O ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -65.76 -33.93 77.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.885 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' A' ' 28' ' ' ASN . 4.6 t30 -119.39 10.39 11.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.5 ' CA ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.282 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.459 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 1.7 p80 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.835 0.35 . . . . 0.0 110.822 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.8 t 63.83 39.53 8.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.67 111.29 22.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.834 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 65.04 25.05 12.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.124 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.6 p -64.46 -31.69 54.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.102 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.636 ' CD1' ' O ' ' A' ' 6' ' ' PHE . 3.1 t80 -58.56 -22.86 57.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.1 m -54.02 -40.75 67.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.158 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.409 ' O ' HG21 ' A' ' 11' ' ' THR . 2.0 m-20 -67.47 -44.11 79.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.435 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 1.0 OUTLIER -68.48 -37.35 80.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.907 -179.926 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.438 ' HB2' ' CZ ' ' A' ' 6' ' ' PHE . 0.6 OUTLIER -71.94 -45.2 61.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.947 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.466 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.6 OUTLIER -61.01 -41.58 96.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.136 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.471 ' HD3' ' N ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -72.57 -29.8 63.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.48 ' O ' ' CD2' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -71.84 -32.54 67.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.97 -24.97 57.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.1 pttt -69.88 -37.25 75.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.417 ' NE2' ' HA ' ' A' ' 16' ' ' GLN . 8.5 mm-40 -56.24 -36.46 68.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.921 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.456 ' HA ' ' CD ' ' A' ' 20' ' ' LYS . 8.8 mmt -56.18 -24.82 43.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.67 -51.99 62.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.4 t -69.95 -47.83 66.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.085 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.456 ' CD ' ' HA ' ' A' ' 17' ' ' MET . 0.0 OUTLIER -54.52 -31.86 57.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.418 ' HD2' ' C ' ' A' ' 21' ' ' LYS . 1.0 OUTLIER -63.66 -53.0 58.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.868 179.874 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.73 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -72.96 -50.21 24.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.929 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.73 ' N ' ' CD1' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -56.04 -31.29 63.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.908 179.934 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.595 ' N ' ' CD2' ' A' ' 23' ' ' LEU . 13.4 t-20 -70.41 -33.38 71.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.458 ' O ' ' C ' ' A' ' 29' ' ' GLY . 7.0 t -76.9 -33.26 57.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.837 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.509 HD12 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -99.66 -54.93 6.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.128 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.578 ' CB ' ' O ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -65.52 -34.25 77.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 179.874 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.484 ' ND2' ' O ' ' A' ' 28' ' ' ASN . 4.7 t30 -118.12 10.85 13.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.488 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.812 0.339 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -105.79 -61.44 1.5 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -101.59 177.75 4.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.852 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -95.54 24.34 5.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 8.4 p -58.79 -34.73 52.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.097 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.607 ' CD1' ' O ' ' A' ' 6' ' ' PHE . 2.9 t80 -55.13 -23.0 18.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.0 m -54.43 -39.55 67.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.132 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.419 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.7 OUTLIER -67.74 -44.94 76.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -67.96 -39.17 83.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.9 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -68.61 -46.84 68.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.893 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.513 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.7 OUTLIER -63.67 -44.29 94.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.136 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.513 ' N ' ' CG2' ' A' ' 11' ' ' THR . 0.1 OUTLIER -73.03 -38.56 66.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.461 ' N ' ' HD3' ' A' ' 12' ' ' ARG . 2.5 tm? -60.03 -32.43 70.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.95 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.404 ' CD ' ' O ' ' A' ' 11' ' ' THR . 7.0 ptt180 -57.24 -26.34 60.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.6 ptmt -69.91 -37.31 75.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -66.31 -30.39 70.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.411 ' HE1' ' CD1' ' A' ' 13' ' ' LEU . 34.5 mtt -55.91 -18.92 10.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.73 -50.04 70.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.126 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.1 t -69.71 -48.13 66.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.089 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.434 ' O ' HD23 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -54.07 -31.51 51.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.919 179.918 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.2 tmtt? -64.49 -52.98 55.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.72 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -72.95 -49.63 28.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.911 -179.923 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.72 ' N ' ' CD1' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -53.4 -33.42 53.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.574 ' N ' ' CD2' ' A' ' 23' ' ' LEU . 3.5 m120 -70.04 -33.09 71.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.512 ' O ' ' CA ' ' A' ' 29' ' ' GLY . 3.7 t -77.15 -34.54 56.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.82 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.509 ' CD1' ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -100.62 -54.89 6.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.161 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.614 ' CB ' ' O ' ' A' ' 23' ' ' LEU . 5.8 tp -64.58 -27.55 69.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.499 ' ND2' ' O ' ' A' ' 28' ' ' ASN . 4.2 t30 -126.67 8.97 7.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.512 ' CA ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.479 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 46.3 m80 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.775 0.321 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m 62.07 31.77 17.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.835 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -111.07 9.65 22.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 73.34 25.01 2.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.096 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.9 p -67.83 -28.91 43.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.611 ' CD1' ' O ' ' A' ' 6' ' ' PHE . 2.8 t80 -55.16 -22.94 18.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.87 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.5 m -54.49 -39.45 67.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.142 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.427 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.8 OUTLIER -67.74 -44.94 76.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.856 179.915 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -67.99 -39.17 83.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -69.0 -47.03 66.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.937 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.523 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.7 OUTLIER -63.15 -44.37 95.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.11 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.523 ' N ' ' CG2' ' A' ' 11' ' ' THR . 0.1 OUTLIER -72.98 -37.31 67.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.91 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.487 ' C ' ' CD1' ' A' ' 13' ' ' LEU . 1.9 tm? -63.49 -32.56 74.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.93 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.9 ptt85 -57.49 -28.53 63.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.434 ' HG2' ' N ' ' A' ' 16' ' ' GLN . 7.4 pttt -69.36 -37.35 77.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.434 ' N ' ' HG2' ' A' ' 15' ' ' LYS . 8.4 mm-40 -58.55 -24.82 61.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 18.7 mtt -60.35 -32.74 71.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.2 -36.78 32.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.159 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.1 t -60.05 -47.23 92.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.172 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.437 ' O ' HD21 ' A' ' 23' ' ' LEU . 0.8 OUTLIER -54.0 -31.5 51.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 179.909 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.424 ' N ' ' HG2' ' A' ' 20' ' ' LYS . 3.2 tmmm? -64.38 -53.09 54.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.907 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.731 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -72.89 -49.65 28.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.731 ' N ' ' CD1' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -53.3 -33.55 53.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.916 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.576 ' N ' ' CD2' ' A' ' 23' ' ' LEU . 3.6 m120 -70.31 -33.08 71.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.455 ' O ' ' C ' ' A' ' 29' ' ' GLY . 3.0 t -77.21 -33.35 56.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.86 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.518 HD13 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -102.06 -54.89 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.102 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.605 ' CB ' ' O ' ' A' ' 23' ' ' LEU . 5.9 tp -64.42 -27.65 69.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.489 ' ND2' ' O ' ' A' ' 28' ' ' ASN . 4.2 t30 -125.82 9.11 7.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.856 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.471 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 6.3 m170 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.821 0.343 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.5 t -97.81 159.48 14.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -154.43 146.19 23.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.843 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.24 -29.0 63.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.086 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.5 p -73.47 -28.99 26.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.103 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.61 ' CD1' ' O ' ' A' ' 6' ' ' PHE . 2.9 t80 -55.09 -23.17 19.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.0 m -54.75 -39.55 68.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.18 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.423 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.9 OUTLIER -67.62 -45.18 76.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 179.902 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.431 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 1.7 m-80 -67.92 -38.93 83.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -68.08 -45.56 73.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.493 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.6 OUTLIER -65.91 -42.58 89.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.178 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.493 ' N ' ' CG2' ' A' ' 11' ' ' THR . 0.1 OUTLIER -74.84 -34.95 62.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.431 ' CB ' ' O ' ' A' ' 9' ' ' ASN . 1.9 tm? -73.57 -42.47 61.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.454 ' HG3' ' N ' ' A' ' 15' ' ' LYS . 3.4 ptm180 -55.53 -28.42 54.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.466 ' HG2' ' N ' ' A' ' 16' ' ' GLN . 5.9 pttp -70.5 -36.53 73.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.868 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.466 ' N ' ' HG2' ' A' ' 15' ' ' LYS . 6.7 mm-40 -56.01 -32.12 63.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.454 ' HA ' ' CD ' ' A' ' 20' ' ' LYS . 3.9 mtt -54.23 -24.79 19.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.69 -52.12 62.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.06 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.4 t -69.85 -47.83 67.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.139 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.454 ' CD ' ' HA ' ' A' ' 17' ' ' MET . 9.4 ptmt -54.39 -31.96 56.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.69 -52.99 58.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.727 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -72.99 -50.21 24.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.727 ' N ' ' CD1' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -56.03 -31.2 62.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.906 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.592 ' N ' ' CD2' ' A' ' 23' ' ' LEU . 14.5 t-20 -70.36 -33.42 71.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.921 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.459 ' O ' ' C ' ' A' ' 29' ' ' GLY . 8.0 t -76.88 -33.31 57.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.834 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.512 HD13 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -99.65 -54.82 6.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.127 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.576 ' CB ' ' O ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -65.7 -34.12 77.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.943 179.851 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.481 ' ND2' ' O ' ' A' ' 28' ' ' ASN . 4.8 t30 -118.26 10.9 12.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.459 ' C ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.519 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . 0.428 ' CG ' ' O ' ' A' ' 1' ' ' HIS . 46.1 p-80 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.807 0.337 . . . . 0.0 110.851 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m 62.37 33.01 16.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -85.5 164.23 17.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.843 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -113.24 -39.29 4.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.407 HG12 ' N ' ' A' ' 6' ' ' PHE . 7.3 p -60.5 -33.43 54.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.157 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.615 ' CD1' ' O ' ' A' ' 6' ' ' PHE . 2.9 t80 -55.08 -23.04 18.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.0 m -54.63 -39.36 67.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.138 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.435 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -67.73 -45.32 75.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 179.925 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.442 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 1.6 m-80 -67.89 -39.17 83.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -68.12 -46.82 69.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.506 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.7 OUTLIER -64.47 -44.11 92.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.141 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.506 ' N ' ' CG2' ' A' ' 11' ' ' THR . 0.1 OUTLIER -73.03 -40.39 65.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.442 ' CB ' ' O ' ' A' ' 9' ' ' ASN . 2.7 tm? -63.84 -34.17 77.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.2 mtp180 -57.5 -31.49 66.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.813 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.466 ' HG2' ' N ' ' A' ' 16' ' ' GLN . 8.3 pttt -69.72 -37.35 76.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.466 ' N ' ' HG2' ' A' ' 15' ' ' LYS . 8.4 mm-40 -56.99 -25.72 58.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 16.3 mtt -63.87 -21.35 66.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.7 -50.57 68.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.099 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.3 t -69.66 -48.01 67.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.147 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.42 ' O ' HD21 ' A' ' 23' ' ' LEU . 7.0 pttp -54.18 -31.84 53.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.93 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.66 -53.15 55.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.731 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -73.05 -50.54 22.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.731 ' N ' ' CD1' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -54.02 -35.22 61.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.939 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.6 ' N ' ' CD2' ' A' ' 23' ' ' LEU . 11.5 t-20 -69.93 -32.91 71.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.513 ' O ' ' CA ' ' A' ' 29' ' ' GLY . 4.9 t -77.2 -34.93 56.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.872 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.509 ' CD1' ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -100.78 -54.71 6.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.134 179.926 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.622 ' CB ' ' O ' ' A' ' 23' ' ' LEU . 6.3 tp -64.39 -26.72 68.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.931 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.501 ' ND2' ' O ' ' A' ' 28' ' ' ASN . 4.1 t30 -127.54 8.85 6.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.922 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.513 ' CA ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.486 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 66.2 m80 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.804 0.335 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.1 m -94.89 85.8 4.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -69.2 176.01 3.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.849 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -77.39 -54.45 6.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.107 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.7 p -71.91 -32.92 46.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.098 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.632 ' CD1' ' O ' ' A' ' 6' ' ' PHE . 3.1 t80 -57.9 -22.78 50.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.2 m -54.1 -40.73 67.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.143 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.407 ' O ' HG21 ' A' ' 11' ' ' THR . 1.5 m-20 -67.5 -44.06 79.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.835 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.418 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 1.2 m-80 -68.53 -37.33 79.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.453 ' HB2' ' CZ ' ' A' ' 6' ' ' PHE . 0.6 OUTLIER -71.95 -45.44 61.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.858 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.473 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.6 OUTLIER -60.66 -41.6 95.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.121 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.473 ' N ' ' CG2' ' A' ' 11' ' ' THR . 0.4 OUTLIER -72.65 -29.46 63.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.83 -179.908 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.49 ' O ' ' CD2' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -72.77 -32.18 65.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.7 ptt180 -56.64 -24.9 51.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.413 ' HG2' ' N ' ' A' ' 16' ' ' GLN . 14.2 pttt -70.02 -37.14 75.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.442 ' NE2' ' HA ' ' A' ' 16' ' ' GLN . 3.6 mm-40 -59.56 -47.15 86.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 22.2 ptp -70.69 -23.51 62.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.75 -51.84 63.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.109 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.2 t -69.75 -47.9 67.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.106 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.433 ' O ' HD22 ' A' ' 23' ' ' LEU . 31.6 pttt -54.12 -31.7 53.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.7 tmtt? -64.14 -52.93 56.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.724 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -73.01 -49.93 26.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.94 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.724 ' N ' ' CD1' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -53.74 -30.92 46.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.867 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.525 ' N ' ' CD2' ' A' ' 23' ' ' LEU . 2.6 m120 -70.26 -33.17 71.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.884 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 29' ' ' GLY . 7.9 t -76.76 -33.1 58.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.827 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.516 ' CD1' ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -100.42 -55.05 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.132 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.575 ' N ' ' O ' ' A' ' 23' ' ' LEU . 1.1 tt -65.15 -32.06 73.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.488 ' ND2' ' O ' ' A' ' 28' ' ' ASN . 4.6 t30 -120.74 10.55 10.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.45 -0.376 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.5 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.82 0.343 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 t -125.2 -64.51 1.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.845 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -83.99 155.31 22.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.861 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -93.64 18.02 10.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.095 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.4 p -60.05 -26.59 36.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.606 ' CD1' ' O ' ' A' ' 6' ' ' PHE . 2.8 t80 -55.15 -22.88 18.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.4 m -54.54 -39.48 67.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.096 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.424 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.6 OUTLIER -67.65 -45.31 75.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.848 179.928 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.406 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 1.6 m-80 -67.91 -39.02 83.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -68.78 -46.36 68.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.934 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.511 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.7 OUTLIER -64.42 -43.75 93.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.18 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.511 ' N ' ' CG2' ' A' ' 11' ' ' THR . 0.0 OUTLIER -72.96 -40.34 65.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.439 ' N ' ' HD3' ' A' ' 12' ' ' ARG . 2.6 tm? -64.6 -33.38 75.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.902 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.9 mtp180 -57.7 -36.57 72.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.468 ' HG2' ' N ' ' A' ' 16' ' ' GLN . 11.7 pttt -66.68 -37.14 84.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.468 ' N ' ' HG2' ' A' ' 15' ' ' LYS . 9.1 mm-40 -56.73 -26.21 56.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.932 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 19.8 mtt -54.98 -17.73 4.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.85 -49.99 70.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.073 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.404 ' O ' ' HB3' ' A' ' 23' ' ' LEU . 2.2 t -69.78 -48.15 66.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.176 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.442 ' NZ ' ' OD1' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -53.9 -31.14 48.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.867 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.41 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 14.7 tppt? -65.31 -52.95 50.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.728 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -72.87 -49.85 27.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.728 ' N ' ' CD1' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -53.13 -31.15 40.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.952 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.528 ' N ' ' CD2' ' A' ' 23' ' ' LEU . 2.1 m120 -70.77 -33.44 70.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.2 t -76.94 -31.33 56.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.571 ' CD1' ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -102.07 -55.59 5.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.173 179.926 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.571 ' N ' ' CD1' ' A' ' 26' ' ' ILE . 1.1 tt -64.67 -33.14 75.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.974 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.502 ' O ' ' CG ' ' A' ' 28' ' ' ASN . 5.2 t30 -118.07 13.46 13.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 28' ' ' ASN . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.482 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 9.0 m170 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.765 0.317 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 t -41.38 -60.32 1.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.848 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -168.82 -179.51 3.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.849 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -89.37 -43.18 11.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 5.6 p -60.36 -35.2 61.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.138 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.607 ' CD1' ' O ' ' A' ' 6' ' ' PHE . 2.8 t80 -55.16 -23.04 19.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.0 m -54.53 -39.47 67.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.156 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.418 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.5 OUTLIER -67.71 -45.02 76.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 179.868 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.407 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 1.6 m-80 -67.9 -39.19 83.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -68.44 -46.91 68.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.507 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.7 OUTLIER -63.72 -44.35 93.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.193 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.507 ' N ' ' CG2' ' A' ' 11' ' ' THR . 0.7 OUTLIER -72.94 -38.88 66.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.434 ' N ' ' HD3' ' A' ' 12' ' ' ARG . 2.4 tm? -61.58 -32.47 72.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.952 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.2 ptt180 -57.27 -24.06 52.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.856 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.4 ptmt -69.93 -37.25 75.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -68.91 -27.47 65.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.403 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 33.8 mtp -61.19 -17.48 53.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.86 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.03 -36.13 83.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.128 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.408 ' HA ' ' CD2' ' A' ' 22' ' ' TYR . 2.1 t -69.74 -49.49 57.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.131 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.494 ' HG3' ' N ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -54.84 -30.81 58.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.871 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.494 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 16.9 mmtt -65.19 -52.77 52.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.732 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -72.93 -49.5 29.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.909 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.732 ' N ' ' CD1' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -53.49 -33.77 55.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.579 ' N ' ' CD2' ' A' ' 23' ' ' LEU . 3.5 m120 -70.02 -33.14 71.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.498 ' O ' ' CA ' ' A' ' 29' ' ' GLY . 2.5 t -77.12 -34.52 56.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.519 HD11 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -100.57 -54.9 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.136 179.932 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.609 ' CB ' ' O ' ' A' ' 23' ' ' LEU . 5.8 tp -64.57 -27.7 69.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.499 ' ND2' ' O ' ' A' ' 28' ' ' ASN . 4.2 t30 -126.45 8.92 7.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.498 ' CA ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.498 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.83 0.347 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.8 m -101.74 32.47 3.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -101.69 -53.83 2.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.88 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -174.72 105.88 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.088 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.0 p -94.36 -33.41 5.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.188 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.613 ' CD1' ' O ' ' A' ' 6' ' ' PHE . 2.8 t80 -55.1 -22.99 18.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.9 m -54.55 -39.47 67.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.102 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.433 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -67.74 -45.36 75.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 179.931 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.474 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.9 OUTLIER -67.82 -39.14 83.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.845 -179.884 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.646 ' CZ ' ' NE ' ' A' ' 14' ' ' ARG . 0.8 OUTLIER -68.22 -45.81 72.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 -179.898 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.519 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.6 OUTLIER -65.76 -44.5 85.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.144 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.519 ' N ' ' CG2' ' A' ' 11' ' ' THR . 0.0 OUTLIER -73.02 -37.81 66.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.474 ' CB ' ' O ' ' A' ' 9' ' ' ASN . 2.8 tm? -67.45 -32.54 73.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.646 ' NE ' ' CZ ' ' A' ' 10' ' ' TYR . 28.0 mtm180 -57.42 -35.85 70.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.451 ' HG2' ' N ' ' A' ' 16' ' ' GLN . 7.9 pttt -67.43 -37.57 83.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.451 ' N ' ' HG2' ' A' ' 15' ' ' LYS . 8.5 mm-40 -60.13 -39.49 86.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.961 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 65.8 mtm -54.95 -31.79 60.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.07 -36.42 29.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.3 t -64.29 -46.94 91.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.107 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.447 ' HG2' ' N ' ' A' ' 21' ' ' LYS . 2.8 ptmt -54.0 -31.86 52.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.927 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.447 ' N ' ' HG2' ' A' ' 20' ' ' LYS . 2.7 mmmp? -63.79 -53.22 54.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.858 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.726 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -72.94 -50.53 22.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.933 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.726 ' N ' ' CD1' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -53.84 -32.96 54.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.6 ' N ' ' CD2' ' A' ' 23' ' ' LEU . 15.2 t-20 -72.17 -33.08 67.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.6 t -77.72 -24.6 49.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.582 ' CD1' ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -112.21 -55.72 4.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.122 179.915 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.613 ' N ' ' O ' ' A' ' 23' ' ' LEU . 6.1 tp -63.34 -28.23 69.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.896 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.461 ' O ' ' CG ' ' A' ' 28' ' ' ASN . 4.3 t30 -119.47 8.46 11.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.872 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.506 179.966 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 40.5 p-80 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.798 0.333 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 t -60.49 168.4 2.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -146.1 140.85 27.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.839 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -47.16 -42.98 20.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.083 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.2 p -74.89 -36.7 39.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.109 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.622 ' CD1' ' O ' ' A' ' 6' ' ' PHE . 2.9 t80 -55.18 -22.86 19.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.1 m -54.18 -39.85 66.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.129 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.43 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.4 OUTLIER -67.68 -45.02 76.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.943 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.409 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 1.1 m-80 -67.85 -38.29 82.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -71.28 -47.63 55.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.477 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.7 OUTLIER -61.49 -42.41 98.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.101 -179.935 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.477 ' N ' ' CG2' ' A' ' 11' ' ' THR . 0.1 OUTLIER -73.06 -38.22 66.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.8 tp -73.41 -31.23 63.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.923 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.44 -24.18 29.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.6 ptmt -70.35 -37.05 74.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -63.23 -28.65 70.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.9 mmt -57.7 -17.65 16.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.76 -50.45 69.01 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.102 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.2 t -69.71 -47.95 67.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.437 ' O ' HD21 ' A' ' 23' ' ' LEU . 6.6 pttm -54.12 -31.68 52.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.8 tmtt? -64.19 -52.94 56.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.731 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -72.96 -50.03 25.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.731 ' N ' ' CD1' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -53.62 -30.97 45.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.913 179.944 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.53 ' N ' ' CD2' ' A' ' 23' ' ' LEU . 2.6 m120 -70.17 -33.25 71.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.458 ' O ' ' C ' ' A' ' 29' ' ' GLY . 7.4 t -76.83 -33.43 57.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.514 HD12 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -99.84 -54.95 6.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.149 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.573 ' CB ' ' O ' ' A' ' 23' ' ' LEU . 1.1 tt -65.35 -33.53 76.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' A' ' 28' ' ' ASN . 4.7 t30 -119.02 10.99 12.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.467 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.814 0.34 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 m -65.5 159.57 24.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -174.17 156.48 2.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.861 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -46.44 -38.53 9.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.071 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.456 HG12 ' N ' ' A' ' 6' ' ' PHE . 7.6 p -68.11 -36.38 75.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.075 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.627 ' CD1' ' O ' ' A' ' 6' ' ' PHE . 3.1 t80 -58.11 -22.69 51.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.1 m -53.89 -40.55 66.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.098 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.425 ' O ' HG21 ' A' ' 11' ' ' THR . 0.5 OUTLIER -67.59 -43.84 79.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.846 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.426 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 1.2 m-80 -68.76 -37.49 79.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.879 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.413 ' HB2' ' CZ ' ' A' ' 6' ' ' PHE . 0.6 OUTLIER -71.72 -45.45 61.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.973 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.508 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.6 OUTLIER -60.82 -43.87 97.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.201 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.508 ' N ' ' CG2' ' A' ' 11' ' ' THR . 0.2 OUTLIER -69.21 -34.58 75.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.483 ' O ' ' CD2' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -67.83 -32.46 73.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 -56.98 -24.93 57.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.84 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.6 pttp -69.89 -37.3 75.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.465 ' NE2' ' HA ' ' A' ' 16' ' ' GLN . 7.6 mm-40 -57.07 -34.65 68.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.952 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 17.5 mtt -56.57 -29.24 61.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.54 -49.33 73.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.066 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.3 t -69.57 -47.6 70.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.442 ' HG3' ' N ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -54.02 -31.9 52.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 179.899 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.442 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 33.7 tptt -63.58 -53.24 54.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.727 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -73.06 -50.46 22.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.914 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.727 ' N ' ' CD1' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -54.08 -35.12 61.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.951 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.601 ' N ' ' CD2' ' A' ' 23' ' ' LEU . 12.9 t-20 -69.99 -32.91 71.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.507 ' O ' ' CA ' ' A' ' 29' ' ' GLY . 4.7 t -77.18 -34.84 56.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.846 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.517 HD12 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -100.91 -54.7 6.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.12 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.615 ' CB ' ' O ' ' A' ' 23' ' ' LEU . 6.1 tp -64.37 -26.73 68.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.95 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' A' ' 28' ' ' ASN . 4.1 t30 -127.59 8.87 6.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.507 ' CA ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.543 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.83 0.348 . . . . 0.0 110.804 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m 38.86 46.84 1.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.87 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -92.39 137.41 32.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.828 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 61.46 25.04 15.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.088 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.459 ' O ' ' CG ' ' A' ' 8' ' ' ASP . 3.8 p -68.17 -19.53 24.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.602 ' CD1' ' O ' ' A' ' 6' ' ' PHE . 2.8 t80 -69.26 -22.33 63.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.0 m -54.74 -41.25 70.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.155 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.497 ' OD1' ' N ' ' A' ' 9' ' ' ASN . 1.8 p30 -67.45 -44.26 79.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.497 ' N ' ' OD1' ' A' ' 8' ' ' ASP . 0.9 OUTLIER -67.75 -39.01 84.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -69.4 -46.31 67.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.928 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.504 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.7 OUTLIER -64.25 -43.69 94.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.117 -179.938 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.504 ' N ' ' CG2' ' A' ' 11' ' ' THR . 0.0 OUTLIER -72.92 -41.37 64.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.457 ' N ' ' HD3' ' A' ' 12' ' ' ARG . 3.1 tm? -63.89 -32.97 74.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.4 mtp180 -57.47 -35.66 70.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.463 ' HG2' ' N ' ' A' ' 16' ' ' GLN . 2.1 pttp -68.23 -37.26 80.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.463 ' N ' ' HG2' ' A' ' 15' ' ' LYS . 8.0 mm-40 -63.72 -32.16 73.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 33.2 mtp -54.18 -26.44 28.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.831 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.67 -51.33 65.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.124 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.2 t -69.69 -47.92 68.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.116 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.427 ' O ' HD23 ' A' ' 23' ' ' LEU . 11.3 pttp -54.18 -31.87 53.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.1 tmmm? -63.58 -53.18 55.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.722 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -73.04 -50.56 22.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 -179.931 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.722 ' N ' ' CD1' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -53.83 -35.38 61.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.972 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.601 ' N ' ' CD2' ' A' ' 23' ' ' LEU . 12.7 t-20 -69.95 -32.91 71.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.873 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.51 ' O ' ' CA ' ' A' ' 29' ' ' GLY . 16.8 t -77.16 -34.77 56.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.519 HD12 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -100.99 -54.71 6.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.105 179.933 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.621 ' CB ' ' O ' ' A' ' 23' ' ' LEU . 6.0 tp -64.33 -26.58 68.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.949 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 28' ' ' ASN . 4.1 t30 -127.75 8.69 6.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.51 ' CA ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.458 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 13.8 p-80 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.801 0.334 . . . . 0.0 110.831 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.2 t -115.72 -65.31 1.2 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -80.07 172.96 13.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.833 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -130.37 90.11 2.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.112 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.1 p -94.38 -40.71 11.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.145 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.624 ' CD1' ' O ' ' A' ' 6' ' ' PHE . 2.9 t80 -55.13 -22.92 18.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.1 m -54.27 -39.77 67.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.43 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.8 OUTLIER -67.74 -45.29 75.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.834 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -67.84 -38.22 82.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -70.87 -45.58 64.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.472 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.7 OUTLIER -64.68 -41.47 96.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.121 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.472 ' N ' ' CG2' ' A' ' 11' ' ' THR . 0.1 OUTLIER -73.78 -35.88 65.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.875 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -73.62 -39.97 64.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.419 ' HG3' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -56.49 -32.05 64.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.478 ' HG2' ' N ' ' A' ' 16' ' ' GLN . 2.5 pttp -70.13 -36.58 74.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.478 ' N ' ' HG2' ' A' ' 15' ' ' LYS . 7.8 mm-40 -56.17 -32.97 64.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.904 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.404 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 30.6 mtp -54.91 -17.45 3.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.09 -36.06 82.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.084 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.2 t -69.71 -49.41 58.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.109 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.507 ' HG3' ' N ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -55.21 -31.13 61.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.862 179.917 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.507 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 1.9 tmmm? -64.38 -52.85 56.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.867 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.723 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -73.01 -50.44 23.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.925 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.723 ' N ' ' CD1' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -54.22 -35.02 61.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.904 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.607 ' N ' ' CD2' ' A' ' 23' ' ' LEU . 12.0 t-20 -70.21 -32.72 70.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.865 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 29' ' ' GLY . 7.3 t -77.3 -33.99 55.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.515 ' CD1' ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -101.93 -54.75 6.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.171 179.918 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.622 ' CB ' ' O ' ' A' ' 23' ' ' LEU . 7.7 tp -64.16 -27.07 68.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 28' ' ' ASN . 4.2 t30 -126.54 9.25 7.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.459 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 8.1 t-160 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.807 0.337 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.0 t -42.38 149.6 0.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.904 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -90.65 87.91 6.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -135.04 -67.96 0.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.062 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.3 p -74.73 -32.69 29.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.148 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.624 ' CD1' ' O ' ' A' ' 6' ' ' PHE . 2.8 t80 -55.17 -23.05 19.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.0 m -54.59 -39.36 67.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.17 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.435 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -67.56 -45.5 75.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.873 179.901 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.409 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 1.7 m-80 -67.99 -39.17 83.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.501 ' CE1' ' HD2' ' A' ' 14' ' ' ARG . 0.8 OUTLIER -69.27 -46.79 66.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 -179.918 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.509 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.7 OUTLIER -63.49 -44.17 95.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.136 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.509 ' N ' ' CG2' ' A' ' 11' ' ' THR . 0.5 OUTLIER -72.98 -38.94 66.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.466 ' C ' ' CD1' ' A' ' 13' ' ' LEU . 2.9 tm? -66.63 -32.53 73.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.501 ' HD2' ' CE1' ' A' ' 10' ' ' TYR . 14.6 mtp180 -57.55 -38.75 75.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.466 ' HG2' ' N ' ' A' ' 16' ' ' GLN . 11.9 pttt -65.75 -37.31 86.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.466 ' N ' ' HG2' ' A' ' 15' ' ' LYS . 14.1 mm-40 -56.53 -31.18 63.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 7.7 mmt -64.83 -17.4 64.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.14 -35.94 82.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.115 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.1 t -69.54 -49.66 57.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.115 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.505 ' HG3' ' N ' ' A' ' 21' ' ' LYS . 7.4 pttp -55.08 -30.89 60.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.505 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 9.7 tppt? -64.98 -52.75 54.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.849 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.716 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -72.94 -49.83 27.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.918 -179.914 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.716 ' N ' ' CD1' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -53.82 -30.98 47.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.549 ' N ' ' CD2' ' A' ' 23' ' ' LEU . 2.5 m120 -70.32 -33.2 71.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 29' ' ' GLY . 8.4 t -76.62 -33.12 58.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.513 HD13 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -100.36 -55.0 6.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.158 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.575 ' CB ' ' O ' ' A' ' 23' ' ' LEU . 1.1 tt -65.09 -32.92 74.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.484 ' ND2' ' O ' ' A' ' 28' ' ' ASN . 4.6 t30 -119.83 10.18 11.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.49 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.807 0.337 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.4 m -114.32 -46.02 3.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -46.66 -40.32 12.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.874 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 48.24 25.05 0.77 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.074 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.3 p -74.5 -26.22 19.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.128 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.612 ' CD1' ' O ' ' A' ' 6' ' ' PHE . 2.8 t80 -55.15 -22.96 18.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.0 m -54.62 -39.24 67.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.16 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.439 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -67.73 -45.49 74.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.892 179.892 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.443 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 1.6 m-80 -67.91 -39.18 83.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.542 ' CE1' ' HD2' ' A' ' 14' ' ' ARG . 0.9 OUTLIER -68.62 -47.24 67.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.89 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.519 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.7 OUTLIER -63.44 -44.22 95.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.134 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.519 ' N ' ' CG2' ' A' ' 11' ' ' THR . 0.1 OUTLIER -73.14 -41.14 64.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.443 ' CB ' ' O ' ' A' ' 9' ' ' ASN . 6.4 tp -65.26 -31.05 72.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.542 ' HD2' ' CE1' ' A' ' 10' ' ' TYR . 3.4 mtp-105 -55.3 -25.81 36.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.875 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.43 ' CD ' ' O ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -70.45 -37.22 74.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.921 179.941 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.435 ' NE2' ' HA ' ' A' ' 16' ' ' GLN . 5.2 mm-40 -66.57 -45.27 79.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.8 ptt? -69.23 -21.4 63.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.17 -35.9 82.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.063 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.4 ' O ' ' HB3' ' A' ' 23' ' ' LEU . 2.2 t -69.43 -49.42 60.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.135 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.501 ' HG3' ' N ' ' A' ' 21' ' ' LYS . 1.0 OUTLIER -55.41 -31.06 61.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.89 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.501 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 1.2 tmtm? -64.36 -52.82 56.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.719 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -72.98 -50.45 23.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.719 ' N ' ' CD1' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -54.6 -34.78 62.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.94 179.927 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.605 ' N ' ' CD2' ' A' ' 23' ' ' LEU . 11.5 t-20 -70.15 -32.73 70.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 29' ' ' GLY . 1.9 t -77.27 -34.01 55.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.517 HD11 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -102.14 -54.65 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.147 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.621 ' CB ' ' O ' ' A' ' 23' ' ' LEU . 6.5 tp -64.22 -26.72 68.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.502 ' ND2' ' O ' ' A' ' 28' ' ' ASN . 4.1 t30 -126.86 8.97 6.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.499 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.839 0.352 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.5 t -172.12 136.79 0.87 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -133.37 145.04 49.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -44.07 -54.4 5.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.079 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.8 p -69.56 -39.55 78.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.143 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.616 ' CD1' ' O ' ' A' ' 6' ' ' PHE . 2.8 t80 -55.17 -22.94 19.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.0 m -54.47 -39.51 67.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.133 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.433 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.6 OUTLIER -67.65 -45.28 75.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.907 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.429 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 1.6 m-80 -67.9 -39.13 83.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -68.63 -46.6 68.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.893 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.521 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.7 OUTLIER -64.22 -44.12 92.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.158 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.521 ' N ' ' CG2' ' A' ' 11' ' ' THR . 0.6 OUTLIER -73.03 -40.83 64.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.833 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.429 ' CB ' ' O ' ' A' ' 9' ' ' ASN . 2.9 tm? -63.51 -33.79 76.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.0 mtp85 -57.53 -34.4 69.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.465 ' HG2' ' N ' ' A' ' 16' ' ' GLN . 8.4 pttt -67.31 -37.28 83.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.465 ' N ' ' HG2' ' A' ' 15' ' ' LYS . 17.3 mm-40 -56.92 -24.65 53.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 8.3 mtp -64.13 -23.45 67.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.947 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -49.95 -52.86 30.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.2 t -70.43 -46.89 68.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.153 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.429 ' O ' HD21 ' A' ' 23' ' ' LEU . 4.6 ttpp -54.46 -33.6 59.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.4 mmmt -61.78 -52.73 63.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.728 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -73.36 -50.58 21.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.728 ' N ' ' CD1' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -54.72 -34.18 62.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.598 ' N ' ' CD2' ' A' ' 23' ' ' LEU . 12.4 t-20 -70.31 -32.91 70.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.458 ' O ' ' C ' ' A' ' 29' ' ' GLY . 7.5 t -77.11 -33.59 56.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.519 ' CD1' ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -101.99 -54.87 6.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.119 179.93 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.612 ' CB ' ' O ' ' A' ' 23' ' ' LEU . 5.9 tp -64.32 -27.64 69.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' A' ' 28' ' ' ASN . 4.2 t30 -125.8 8.95 7.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.9 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.45 -0.374 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.475 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.6 p . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.838 0.352 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.606 ' CD1' ' O ' ' A' ' 6' ' ' PHE . 2.8 t80 -55.1 -23.02 18.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.856 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.0 m -54.39 -39.46 67.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.163 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.435 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.6 OUTLIER -67.75 -45.31 75.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.431 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 1.6 m-80 -67.97 -39.16 83.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -68.81 -46.6 68.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.953 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.509 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.7 OUTLIER -63.96 -44.39 92.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.125 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.509 ' N ' ' CG2' ' A' ' 11' ' ' THR . 0.4 OUTLIER -72.98 -41.26 64.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.594 HD13 ' C ' ' A' ' 13' ' ' LEU . 2.8 tm? -63.41 -32.64 74.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.94 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.3 mtp85 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 179.954 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.813 0.34 . . . . 0.0 111.105 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.455 HG22 ' HE2' ' A' ' 22' ' ' TYR . 2.4 t -69.76 -47.99 67.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.145 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.934 ' HA ' HD22 ' A' ' 23' ' ' LEU . 12.5 pttt -54.44 -31.96 56.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.888 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.3 tptt -63.66 -52.99 58.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.722 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -72.93 -50.25 24.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 1.11 HD23 ' N ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -56.06 -31.2 62.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.913 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 1.11 ' N ' HD23 ' A' ' 23' ' ' LEU . 29.1 t30 -70.09 -33.54 72.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.509 ' O ' ' CA ' ' A' ' 29' ' ' GLY . 5.7 t -76.91 -34.64 57.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.83 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.92 HD13 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -97.76 -54.69 6.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.124 179.937 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.92 ' N ' HD13 ' A' ' 26' ' ' ILE . 1.0 OUTLIER -66.08 -34.88 79.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.944 179.893 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.473 ' O ' ' CG ' ' A' ' 28' ' ' ASN . 13.6 t-20 -118.29 10.77 12.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.509 ' CA ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.501 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.876 0.369 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.612 ' CD1' ' O ' ' A' ' 6' ' ' PHE . 2.9 t80 -55.12 -23.05 19.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.0 m -54.43 -39.55 67.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.143 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.422 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.6 OUTLIER -67.74 -44.96 76.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.898 179.907 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -68.05 -39.21 83.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -68.98 -47.38 65.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.512 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.7 OUTLIER -62.46 -44.57 96.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.149 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.512 ' N ' ' CG2' ' A' ' 11' ' ' THR . 2.3 ppt_? -72.97 -34.36 66.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.964 ' O ' HD12 ' A' ' 13' ' ' LEU . 1.3 tp -67.03 -31.12 71.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.7 ptt-85 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 179.979 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.849 0.357 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.56 HG22 ' HE2' ' A' ' 22' ' ' TYR . 2.2 t -68.63 -46.66 79.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.126 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.817 ' HA ' HD22 ' A' ' 23' ' ' LEU . 2.3 ttmm -54.07 -32.0 53.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.4 mmtt -64.03 -52.86 57.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.719 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -72.98 -50.07 25.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 1.025 HD23 ' N ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -53.65 -30.97 45.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 1.025 ' N ' HD23 ' A' ' 23' ' ' LEU . 2.5 m120 -70.03 -33.29 71.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.514 ' O ' ' CA ' ' A' ' 29' ' ' GLY . 1.3 t -76.86 -34.26 57.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.82 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.937 HD13 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -98.74 -54.94 6.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.097 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.937 ' N ' HD13 ' A' ' 26' ' ' ILE . 1.0 OUTLIER -65.56 -32.88 74.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 179.903 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.465 ' O ' ' CG ' ' A' ' 28' ' ' ASN . 13.4 t-20 -120.67 10.28 10.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.514 ' CA ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.264 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.47 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.2 p . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.861 0.363 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.626 ' CD1' ' O ' ' A' ' 6' ' ' PHE . 3.0 t80 -55.01 -23.01 17.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.892 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.1 m -54.54 -39.56 67.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.163 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.432 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -67.84 -46.04 72.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.836 179.928 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.404 ' HA ' ' CG ' ' A' ' 12' ' ' ARG . 1.7 m-80 -67.86 -38.39 83.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.572 ' CE1' ' HD2' ' A' ' 14' ' ' ARG . 0.6 OUTLIER -70.05 -44.76 68.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.934 -179.937 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.482 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.7 OUTLIER -66.16 -42.44 88.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.11 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.482 ' N ' ' CG2' ' A' ' 11' ' ' THR . 0.1 OUTLIER -72.83 -32.0 65.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.854 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.475 ' O ' HD22 ' A' ' 13' ' ' LEU . 2.1 tm? -73.42 -37.68 65.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.572 ' HD2' ' CE1' ' A' ' 10' ' ' TYR . 6.2 mtp-105 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.823 0.344 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.468 HG22 ' HE2' ' A' ' 22' ' ' TYR . 2.4 t -69.82 -47.97 66.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.133 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.952 ' HA ' HD22 ' A' ' 23' ' ' LEU . 11.0 ptmt -54.54 -31.93 57.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? -63.65 -53.01 58.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.727 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -72.92 -50.16 25.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.909 -179.911 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 1.09 HD23 ' N ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -56.29 -31.21 63.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.951 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 1.09 ' N ' HD23 ' A' ' 23' ' ' LEU . 29.4 t30 -70.44 -33.33 71.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 29' ' ' GLY . 1.6 t -76.71 -32.9 58.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.915 HD13 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -100.4 -55.02 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.079 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.915 ' N ' HD13 ' A' ' 26' ' ' ILE . 1.1 tt -65.42 -32.55 74.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.472 ' O ' ' CG ' ' A' ' 28' ' ' ASN . 13.3 t-20 -120.15 10.58 11.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.462 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.3 p . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.852 0.358 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.607 ' CD1' ' O ' ' A' ' 6' ' ' PHE . 2.9 t80 -55.18 -22.96 19.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.0 m -54.53 -39.46 67.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.142 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.422 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.6 OUTLIER -67.75 -44.98 76.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.917 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -67.96 -39.09 83.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -68.93 -47.04 66.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.506 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.7 OUTLIER -63.3 -44.1 95.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.179 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.506 ' N ' ' CG2' ' A' ' 11' ' ' THR . 0.3 OUTLIER -73.02 -38.17 66.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.861 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.417 ' N ' ' HD3' ' A' ' 12' ' ' ARG . 65.5 tp -64.55 -30.55 71.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 15.0 ptt85 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.892 179.93 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.824 0.345 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.502 HG22 ' HE2' ' A' ' 22' ' ' TYR . 2.1 t -69.89 -48.63 62.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.106 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.866 ' HA ' HD22 ' A' ' 23' ' ' LEU . 6.4 ptpt -54.58 -31.63 57.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.891 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.7 tptp -64.13 -52.89 56.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.915 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.728 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -72.93 -50.13 25.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 1.028 HD23 ' N ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -53.66 -30.92 45.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.903 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 1.028 ' N ' HD23 ' A' ' 23' ' ' LEU . 19.8 m-20 -69.93 -33.39 72.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.5 ' O ' ' CA ' ' A' ' 29' ' ' GLY . 7.9 t -76.82 -34.65 57.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.818 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.907 HD13 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -98.24 -54.7 6.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.141 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.907 ' N ' HD13 ' A' ' 26' ' ' ILE . 1.0 OUTLIER -65.76 -33.93 77.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.885 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.46 ' O ' ' CG ' ' A' ' 28' ' ' ASN . 13.4 t-20 -119.39 10.39 11.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.5 ' CA ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.282 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.459 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.6 p . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.849 0.357 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.636 ' CD1' ' O ' ' A' ' 6' ' ' PHE . 3.1 t80 -58.56 -22.86 57.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.1 m -54.02 -40.75 67.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.158 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.436 ' O ' HG22 ' A' ' 11' ' ' THR . 2.0 m-20 -67.47 -44.11 79.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.434 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 1.0 OUTLIER -68.48 -37.35 80.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.907 -179.926 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.457 ' HB2' ' CZ ' ' A' ' 6' ' ' PHE . 0.6 OUTLIER -71.94 -45.2 61.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.947 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.466 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.6 OUTLIER -61.01 -41.58 96.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.136 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.479 ' HD3' ' N ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -72.57 -29.8 63.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.48 ' O ' ' CD2' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -71.84 -32.54 67.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.867 0.365 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.455 HG22 ' HE2' ' A' ' 22' ' ' TYR . 2.4 t -69.95 -47.83 66.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.085 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.916 ' HA ' HD22 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -54.52 -31.86 57.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.414 ' HD2' ' C ' ' A' ' 21' ' ' LYS . 1.0 OUTLIER -63.66 -53.0 58.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.868 179.874 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.73 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -72.96 -50.21 24.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.929 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 1.097 HD23 ' N ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -56.04 -31.29 63.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.908 179.934 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 1.097 ' N ' HD23 ' A' ' 23' ' ' LEU . 29.3 t30 -70.41 -33.38 71.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.458 ' O ' ' C ' ' A' ' 29' ' ' GLY . 7.0 t -76.9 -33.26 57.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.837 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.916 HD13 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -99.66 -54.93 6.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.128 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.916 ' N ' HD13 ' A' ' 26' ' ' ILE . 1.0 OUTLIER -65.52 -34.25 77.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 179.874 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.474 ' O ' ' CG ' ' A' ' 28' ' ' ASN . 13.5 t-20 -118.12 10.85 13.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.488 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 8.4 p . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.846 0.355 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.607 ' CD1' ' O ' ' A' ' 6' ' ' PHE . 2.9 t80 -55.13 -23.0 18.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.0 m -54.43 -39.55 67.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.132 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.419 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.7 OUTLIER -67.74 -44.94 76.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -67.96 -39.17 83.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.9 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -68.61 -46.84 68.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.893 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.513 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.7 OUTLIER -63.67 -44.29 94.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.136 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.513 ' N ' ' CG2' ' A' ' 11' ' ' THR . 0.1 OUTLIER -73.03 -38.56 66.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.64 HD13 ' C ' ' A' ' 13' ' ' LEU . 2.5 tm? -60.03 -32.43 70.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.95 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.404 ' CD ' ' O ' ' A' ' 11' ' ' THR . 7.0 ptt180 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.816 0.341 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.592 HG22 ' HE2' ' A' ' 22' ' ' TYR . 2.1 t -69.71 -48.13 66.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.089 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.819 ' HA ' HD22 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -54.07 -31.51 51.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.919 179.918 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.2 tmtt? -64.49 -52.98 55.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.72 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -72.95 -49.63 28.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.911 -179.923 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 1.079 HD23 ' N ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -53.4 -33.42 53.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 1.079 ' N ' HD23 ' A' ' 23' ' ' LEU . 27.8 m-20 -70.04 -33.09 71.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.512 ' O ' ' CA ' ' A' ' 29' ' ' GLY . 3.7 t -77.15 -34.54 56.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.82 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.923 HD13 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -100.62 -54.89 6.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.161 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.923 ' N ' HD13 ' A' ' 26' ' ' ILE . 5.8 tp -64.58 -27.55 69.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.454 ' O ' ' CG ' ' A' ' 28' ' ' ASN . 12.9 t-20 -126.67 8.97 7.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.512 ' CA ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.479 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.9 p . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.832 0.349 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.611 ' CD1' ' O ' ' A' ' 6' ' ' PHE . 2.8 t80 -55.16 -22.94 18.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.87 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.5 m -54.49 -39.45 67.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.142 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.427 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.8 OUTLIER -67.74 -44.94 76.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.856 179.915 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -67.99 -39.17 83.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -69.0 -47.03 66.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.937 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.523 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.7 OUTLIER -63.15 -44.37 95.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.11 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.523 ' N ' ' CG2' ' A' ' 11' ' ' THR . 0.1 OUTLIER -72.98 -37.31 67.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.91 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.755 HD13 ' C ' ' A' ' 13' ' ' LEU . 1.9 tm? -63.49 -32.56 74.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.93 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.9 ptt85 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 179.904 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 120.866 0.365 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.62 HG22 ' HE2' ' A' ' 22' ' ' TYR . 2.1 t -60.05 -47.23 92.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.172 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.834 ' HA ' HD22 ' A' ' 23' ' ' LEU . 0.8 OUTLIER -54.0 -31.5 51.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 179.909 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.439 ' N ' ' HG2' ' A' ' 20' ' ' LYS . 3.2 tmmm? -64.38 -53.09 54.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.907 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.731 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -72.89 -49.65 28.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 1.051 HD23 ' N ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -53.3 -33.55 53.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.916 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 1.051 ' N ' HD23 ' A' ' 23' ' ' LEU . 28.5 m-20 -70.31 -33.08 71.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.455 ' O ' ' C ' ' A' ' 29' ' ' GLY . 3.0 t -77.21 -33.35 56.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.86 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.934 HD13 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -102.06 -54.89 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.102 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.934 ' N ' HD13 ' A' ' 26' ' ' ILE . 5.9 tp -64.42 -27.65 69.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.466 ' O ' ' CG ' ' A' ' 28' ' ' ASN . 12.9 t-20 -125.82 9.11 7.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.856 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.471 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.827 0.346 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.61 ' CD1' ' O ' ' A' ' 6' ' ' PHE . 2.9 t80 -55.09 -23.17 19.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.0 m -54.75 -39.55 68.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.18 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.423 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.9 OUTLIER -67.62 -45.18 76.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 179.902 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.431 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 1.7 m-80 -67.92 -38.93 83.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -68.08 -45.56 73.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.493 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.6 OUTLIER -65.91 -42.58 89.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.178 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.493 ' N ' ' CG2' ' A' ' 11' ' ' THR . 0.1 OUTLIER -74.84 -34.95 62.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.506 ' O ' HD22 ' A' ' 13' ' ' LEU . 1.9 tm? -73.57 -42.47 61.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.438 ' HG2' ' O ' ' A' ' 11' ' ' THR . 3.4 ptm180 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.812 0.339 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.452 HG22 ' HE2' ' A' ' 22' ' ' TYR . 2.4 t -69.85 -47.83 67.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.139 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.904 ' HA ' HD22 ' A' ' 23' ' ' LEU . 9.4 ptmt -54.39 -31.96 56.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.69 -52.99 58.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.727 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -72.99 -50.21 24.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 1.106 HD23 ' N ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -56.03 -31.2 62.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.906 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 1.106 ' N ' HD23 ' A' ' 23' ' ' LEU . 30.2 t30 -70.36 -33.42 71.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.921 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.459 ' O ' ' C ' ' A' ' 29' ' ' GLY . 8.0 t -76.88 -33.31 57.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.834 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.91 HD13 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -99.65 -54.82 6.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.127 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.91 ' N ' HD13 ' A' ' 26' ' ' ILE . 1.0 OUTLIER -65.7 -34.12 77.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.943 179.851 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.479 ' O ' ' CG ' ' A' ' 28' ' ' ASN . 13.5 t-20 -118.26 10.9 12.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.459 ' C ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.519 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.3 p . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.884 0.373 . . . . 0.0 111.157 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.615 ' CD1' ' O ' ' A' ' 6' ' ' PHE . 2.9 t80 -55.08 -23.04 18.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.0 m -54.63 -39.36 67.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.138 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.435 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -67.73 -45.32 75.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 179.925 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.442 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 1.6 m-80 -67.89 -39.17 83.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -68.12 -46.82 69.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.506 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.7 OUTLIER -64.47 -44.11 92.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.141 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.506 ' N ' ' CG2' ' A' ' 11' ' ' THR . 0.1 OUTLIER -73.03 -40.39 65.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.608 HD13 ' C ' ' A' ' 13' ' ' LEU . 2.7 tm? -63.84 -34.17 77.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.2 mtp180 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.813 179.982 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.818 0.342 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.507 HG22 ' HE2' ' A' ' 22' ' ' TYR . 2.3 t -69.66 -48.01 67.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.147 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.914 ' HA ' HD22 ' A' ' 23' ' ' LEU . 7.0 pttp -54.18 -31.84 53.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.93 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.66 -53.15 55.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.731 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -73.05 -50.54 22.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 1.107 HD23 ' N ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -54.02 -35.22 61.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.939 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 1.107 ' N ' HD23 ' A' ' 23' ' ' LEU . 39.4 t30 -69.93 -32.91 71.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.513 ' O ' ' CA ' ' A' ' 29' ' ' GLY . 4.9 t -77.2 -34.93 56.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.872 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.923 HD13 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -100.78 -54.71 6.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.134 179.926 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.923 ' N ' HD13 ' A' ' 26' ' ' ILE . 6.3 tp -64.39 -26.72 68.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.931 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.448 ' O ' ' CG ' ' A' ' 28' ' ' ASN . 12.8 t-20 -127.54 8.85 6.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.922 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.513 ' CA ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.486 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.7 p . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.85 0.357 . . . . 0.0 111.098 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.632 ' CD1' ' O ' ' A' ' 6' ' ' PHE . 3.1 t80 -57.9 -22.78 50.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.2 m -54.1 -40.73 67.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.143 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.437 ' O ' HG22 ' A' ' 11' ' ' THR . 1.5 m-20 -67.5 -44.06 79.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.835 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.421 ' O ' ' HB2' ' A' ' 13' ' ' LEU . 1.2 m-80 -68.53 -37.33 79.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.474 ' HB2' ' CZ ' ' A' ' 6' ' ' PHE . 0.6 OUTLIER -71.95 -45.44 61.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.858 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.473 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.6 OUTLIER -60.66 -41.6 95.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.121 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.474 ' HD3' ' N ' ' A' ' 13' ' ' LEU . 0.4 OUTLIER -72.65 -29.46 63.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.83 -179.908 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.49 ' O ' ' CD2' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -72.77 -32.18 65.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.7 ptt180 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.904 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.843 0.354 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.555 HG22 ' HE2' ' A' ' 22' ' ' TYR . 2.2 t -69.75 -47.9 67.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.106 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.865 ' HA ' HD22 ' A' ' 23' ' ' LEU . 31.6 pttt -54.12 -31.7 53.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.7 tmtt? -64.14 -52.93 56.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.724 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -73.01 -49.93 26.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.94 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 1.043 HD23 ' N ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -53.74 -30.92 46.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.867 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 1.043 ' N ' HD23 ' A' ' 23' ' ' LEU . 20.3 m-20 -70.26 -33.17 71.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.884 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 29' ' ' GLY . 7.9 t -76.76 -33.1 58.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.827 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.92 HD13 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -100.42 -55.05 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.132 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.92 ' N ' HD13 ' A' ' 26' ' ' ILE . 1.1 tt -65.15 -32.06 73.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.479 ' O ' ' CG ' ' A' ' 28' ' ' ASN . 13.2 t-20 -120.74 10.55 10.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.45 -0.376 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.5 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.858 0.361 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.606 ' CD1' ' O ' ' A' ' 6' ' ' PHE . 2.8 t80 -55.15 -22.88 18.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.4 m -54.54 -39.48 67.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.096 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.424 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.6 OUTLIER -67.65 -45.31 75.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.848 179.928 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.406 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 1.6 m-80 -67.91 -39.02 83.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -68.78 -46.36 68.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.934 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.511 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.7 OUTLIER -64.42 -43.75 93.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.18 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.511 ' N ' ' CG2' ' A' ' 11' ' ' THR . 0.0 OUTLIER -72.96 -40.34 65.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.521 HD13 ' C ' ' A' ' 13' ' ' LEU . 2.6 tm? -64.6 -33.38 75.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.902 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.9 mtp180 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 179.92 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.818 0.342 . . . . 0.0 111.073 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.549 HG22 ' HE2' ' A' ' 22' ' ' TYR . 2.2 t -69.78 -48.15 66.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.176 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.827 ' HA ' HD22 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -53.9 -31.14 48.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.867 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.7 tppt? -65.31 -52.95 50.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.728 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -72.87 -49.85 27.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 1.012 HD23 ' N ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -53.13 -31.15 40.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.952 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 1.012 ' N ' HD23 ' A' ' 23' ' ' LEU . 2.1 m120 -70.77 -33.44 70.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.2 t -76.94 -31.33 56.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.998 HD13 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -102.07 -55.59 5.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.173 179.926 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.998 ' N ' HD13 ' A' ' 26' ' ' ILE . 1.1 tt -64.67 -33.14 75.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.974 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.502 ' O ' ' CG ' ' A' ' 28' ' ' ASN . 13.8 t-20 -118.07 13.46 13.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 28' ' ' ASN . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.482 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 5.6 p . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.854 0.359 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.607 ' CD1' ' O ' ' A' ' 6' ' ' PHE . 2.8 t80 -55.16 -23.04 19.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.0 m -54.53 -39.47 67.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.156 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.418 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.5 OUTLIER -67.71 -45.02 76.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 179.868 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.407 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 1.6 m-80 -67.9 -39.19 83.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -68.44 -46.91 68.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.507 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.7 OUTLIER -63.72 -44.35 93.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.193 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.507 ' N ' ' CG2' ' A' ' 11' ' ' THR . 0.7 OUTLIER -72.94 -38.88 66.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.549 HD13 ' C ' ' A' ' 13' ' ' LEU . 2.4 tm? -61.58 -32.47 72.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.952 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.2 ptt180 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.856 179.95 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.904 0.383 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.548 HG22 ' HE2' ' A' ' 22' ' ' TYR . 2.1 t -69.74 -49.49 57.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.131 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.827 ' HA ' HD22 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -54.84 -30.81 58.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.871 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.501 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 16.9 mmtt -65.19 -52.77 52.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.732 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -72.93 -49.5 29.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.909 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 1.073 HD23 ' N ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -53.49 -33.77 55.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 1.073 ' N ' HD23 ' A' ' 23' ' ' LEU . 27.6 m-20 -70.02 -33.14 71.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.498 ' O ' ' CA ' ' A' ' 29' ' ' GLY . 2.5 t -77.12 -34.52 56.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.913 HD13 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -100.57 -54.9 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.136 179.932 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.913 ' N ' HD13 ' A' ' 26' ' ' ILE . 5.8 tp -64.57 -27.7 69.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.452 ' O ' ' CG ' ' A' ' 28' ' ' ASN . 13.0 t-20 -126.45 8.92 7.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.498 ' CA ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.498 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.0 p . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.923 0.392 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.613 ' CD1' ' O ' ' A' ' 6' ' ' PHE . 2.8 t80 -55.1 -22.99 18.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.9 m -54.55 -39.47 67.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.102 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.433 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -67.74 -45.36 75.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 179.931 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.474 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 3.1 m-20 -67.82 -39.14 83.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.845 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.646 ' CZ ' ' NE ' ' A' ' 14' ' ' ARG . 0.8 OUTLIER -68.22 -45.81 72.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 -179.898 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.519 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.6 OUTLIER -65.76 -44.5 85.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.144 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.519 ' N ' ' CG2' ' A' ' 11' ' ' THR . 0.0 OUTLIER -73.02 -37.81 66.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.633 HD13 ' C ' ' A' ' 13' ' ' LEU . 2.8 tm? -67.45 -32.54 73.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.646 ' NE ' ' CZ ' ' A' ' 10' ' ' TYR . 28.0 mtm180 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.855 0.36 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.54 HG22 ' HE2' ' A' ' 22' ' ' TYR . 2.3 t -64.29 -46.94 91.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.107 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.848 ' HA ' HD22 ' A' ' 23' ' ' LEU . 2.8 ptmt -54.0 -31.86 52.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.927 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.464 ' N ' ' HG2' ' A' ' 20' ' ' LYS . 2.7 mmmp? -63.79 -53.22 54.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.858 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.726 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -72.94 -50.53 22.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.933 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 1.084 HD23 ' N ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -53.84 -32.96 54.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 1.084 ' N ' HD23 ' A' ' 23' ' ' LEU . 41.6 t30 -72.17 -33.08 67.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.6 t -77.72 -24.6 49.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 1.013 HD13 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -112.21 -55.72 4.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.122 179.915 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 1.013 ' N ' HD13 ' A' ' 26' ' ' ILE . 6.1 tp -63.34 -28.23 69.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.896 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.461 ' O ' ' CG ' ' A' ' 28' ' ' ASN . 11.9 t-20 -119.47 8.46 11.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.872 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.506 179.966 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.874 0.368 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.622 ' CD1' ' O ' ' A' ' 6' ' ' PHE . 2.9 t80 -55.18 -22.86 19.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.1 m -54.18 -39.85 66.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.129 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.43 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.4 OUTLIER -67.68 -45.02 76.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.943 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.412 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 1.1 m-80 -67.85 -38.29 82.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -71.28 -47.63 55.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.477 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.7 OUTLIER -61.49 -42.41 98.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.101 -179.935 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.477 ' N ' ' CG2' ' A' ' 11' ' ' THR . 0.1 OUTLIER -73.06 -38.22 66.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.406 ' N ' ' HD3' ' A' ' 12' ' ' ARG . 5.8 tp -73.41 -31.23 63.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.923 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.421 ' HG3' ' O ' ' A' ' 11' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.876 0.37 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.549 HG22 ' HE2' ' A' ' 22' ' ' TYR . 2.2 t -69.71 -47.95 67.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.86 ' HA ' HD22 ' A' ' 23' ' ' LEU . 6.6 pttm -54.12 -31.68 52.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.8 tmtt? -64.19 -52.94 56.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.731 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -72.96 -50.03 25.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 1.033 HD23 ' N ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -53.62 -30.97 45.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.913 179.944 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 1.033 ' N ' HD23 ' A' ' 23' ' ' LEU . 20.2 m-20 -70.17 -33.25 71.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.458 ' O ' ' C ' ' A' ' 29' ' ' GLY . 7.4 t -76.83 -33.43 57.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.933 HD13 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -99.84 -54.95 6.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.149 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.933 ' N ' HD13 ' A' ' 26' ' ' ILE . 1.1 tt -65.35 -33.53 76.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.477 ' O ' ' CG ' ' A' ' 28' ' ' ASN . 13.4 t-20 -119.02 10.99 12.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.467 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.6 p . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.845 0.355 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.627 ' CD1' ' O ' ' A' ' 6' ' ' PHE . 3.1 t80 -58.11 -22.69 51.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.1 m -53.89 -40.55 66.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.098 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.436 ' O ' HG22 ' A' ' 11' ' ' THR . 0.5 OUTLIER -67.59 -43.84 79.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.846 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.428 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 1.2 m-80 -68.76 -37.49 79.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.879 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.433 ' HB2' ' CZ ' ' A' ' 6' ' ' PHE . 0.6 OUTLIER -71.72 -45.45 61.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.973 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.508 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.6 OUTLIER -60.82 -43.87 97.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.201 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.508 ' N ' ' CG2' ' A' ' 11' ' ' THR . 0.2 OUTLIER -69.21 -34.58 75.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.483 ' O ' ' CD2' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -67.83 -32.46 73.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.84 179.976 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.844 0.354 . . . . 0.0 111.066 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.516 HG22 ' HE2' ' A' ' 22' ' ' TYR . 2.3 t -69.57 -47.6 70.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.916 ' HA ' HD22 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -54.02 -31.9 52.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 179.899 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.426 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 33.7 tptt -63.58 -53.24 54.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.727 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -73.06 -50.46 22.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.914 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 1.087 HD23 ' N ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -54.08 -35.12 61.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.951 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 1.087 ' N ' HD23 ' A' ' 23' ' ' LEU . 42.5 t30 -69.99 -32.91 71.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.507 ' O ' ' CA ' ' A' ' 29' ' ' GLY . 4.7 t -77.18 -34.84 56.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.846 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.923 HD13 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -100.91 -54.7 6.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.12 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.923 ' N ' HD13 ' A' ' 26' ' ' ILE . 6.1 tp -64.37 -26.73 68.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.95 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.452 ' O ' ' CG ' ' A' ' 28' ' ' ASN . 12.7 t-20 -127.59 8.87 6.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.507 ' CA ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.543 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.459 ' O ' ' CG ' ' A' ' 8' ' ' ASP . 3.8 p . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.878 0.37 . . . . 0.0 111.129 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.602 ' CD1' ' O ' ' A' ' 6' ' ' PHE . 2.8 t80 -69.26 -22.33 63.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.0 m -54.74 -41.25 70.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.155 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.497 ' OD1' ' N ' ' A' ' 9' ' ' ASN . 1.8 p30 -67.45 -44.26 79.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.497 ' N ' ' OD1' ' A' ' 8' ' ' ASP . 0.9 OUTLIER -67.75 -39.01 84.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -69.4 -46.31 67.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.928 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.504 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.7 OUTLIER -64.25 -43.69 94.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.117 -179.938 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.504 ' N ' ' CG2' ' A' ' 11' ' ' THR . 0.0 OUTLIER -72.92 -41.37 64.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.542 HD13 ' C ' ' A' ' 13' ' ' LEU . 3.1 tm? -63.89 -32.97 74.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.4 mtp180 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 179.941 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.861 0.362 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.526 HG22 ' HE2' ' A' ' 22' ' ' TYR . 2.2 t -69.69 -47.92 68.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.116 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.931 ' HA ' HD22 ' A' ' 23' ' ' LEU . 11.3 pttp -54.18 -31.87 53.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.1 tmmm? -63.58 -53.18 55.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.722 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -73.04 -50.56 22.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 -179.931 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 1.115 HD23 ' N ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -53.83 -35.38 61.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.972 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 1.115 ' N ' HD23 ' A' ' 23' ' ' LEU . 44.2 t30 -69.95 -32.91 71.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.873 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.51 ' O ' ' CA ' ' A' ' 29' ' ' GLY . 16.8 t -77.16 -34.77 56.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.94 HD13 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -100.99 -54.71 6.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.105 179.933 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.94 ' N ' HD13 ' A' ' 26' ' ' ILE . 6.0 tp -64.33 -26.58 68.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.949 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.457 ' O ' ' CG ' ' A' ' 28' ' ' ASN . 12.6 t-20 -127.75 8.69 6.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.51 ' CA ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.458 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.1 p . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.843 0.354 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.624 ' CD1' ' O ' ' A' ' 6' ' ' PHE . 2.9 t80 -55.13 -22.92 18.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.1 m -54.27 -39.77 67.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.43 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.8 OUTLIER -67.74 -45.29 75.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.834 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -67.84 -38.22 82.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -70.87 -45.58 64.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.472 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.7 OUTLIER -64.68 -41.47 96.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.121 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.472 ' N ' ' CG2' ' A' ' 11' ' ' THR . 0.1 OUTLIER -73.78 -35.88 65.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.875 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.475 ' O ' HD22 ' A' ' 13' ' ' LEU . 1.9 tm? -73.62 -39.97 64.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.426 ' HG3' ' O ' ' A' ' 11' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.793 0.33 . . . . 0.0 111.084 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.467 HG22 ' HE2' ' A' ' 22' ' ' TYR . 2.2 t -69.71 -49.41 58.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.109 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.881 ' HA ' HD22 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -55.21 -31.13 61.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.862 179.917 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.512 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 1.9 tmmm? -64.38 -52.85 56.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.867 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.723 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -73.01 -50.44 23.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.925 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 1.103 HD23 ' N ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -54.22 -35.02 61.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.904 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 1.103 ' N ' HD23 ' A' ' 23' ' ' LEU . 39.8 t30 -70.21 -32.72 70.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.865 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 29' ' ' GLY . 7.3 t -77.3 -33.99 55.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.934 HD13 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -101.93 -54.75 6.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.171 179.918 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.934 ' N ' HD13 ' A' ' 26' ' ' ILE . 7.7 tp -64.16 -27.07 68.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.467 ' O ' ' CG ' ' A' ' 28' ' ' ASN . 12.7 t-20 -126.54 9.25 7.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.459 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.3 p . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.838 0.352 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.624 ' CD1' ' O ' ' A' ' 6' ' ' PHE . 2.8 t80 -55.17 -23.05 19.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.0 m -54.59 -39.36 67.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.17 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.435 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -67.56 -45.5 75.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.873 179.901 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.409 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 1.7 m-80 -67.99 -39.17 83.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.51 ' CE1' ' HD2' ' A' ' 14' ' ' ARG . 0.8 OUTLIER -69.27 -46.79 66.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 -179.918 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.509 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.7 OUTLIER -63.49 -44.17 95.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.136 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.509 ' N ' ' CG2' ' A' ' 11' ' ' THR . 0.5 OUTLIER -72.98 -38.94 66.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.856 HD13 ' O ' ' A' ' 13' ' ' LEU . 2.9 tm? -66.63 -32.53 73.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.51 ' HD2' ' CE1' ' A' ' 10' ' ' TYR . 14.6 mtp180 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.833 0.349 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.507 HG22 ' HE2' ' A' ' 22' ' ' TYR . 2.1 t -69.54 -49.66 57.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.115 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.827 ' HA ' HD22 ' A' ' 23' ' ' LEU . 7.4 pttp -55.08 -30.89 60.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.511 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 9.7 tppt? -64.98 -52.75 54.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.849 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.716 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -72.94 -49.83 27.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.918 -179.914 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 1.03 HD23 ' N ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -53.82 -30.98 47.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 1.03 ' N ' HD23 ' A' ' 23' ' ' LEU . 19.5 m-20 -70.32 -33.2 71.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 29' ' ' GLY . 8.4 t -76.62 -33.12 58.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.929 HD13 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -100.36 -55.0 6.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.158 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.929 ' N ' HD13 ' A' ' 26' ' ' ILE . 1.1 tt -65.09 -32.92 74.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.478 ' O ' ' CG ' ' A' ' 28' ' ' ASN . 13.3 t-20 -119.83 10.18 11.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.49 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.3 p . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.9 0.381 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.612 ' CD1' ' O ' ' A' ' 6' ' ' PHE . 2.8 t80 -55.15 -22.96 18.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.0 m -54.62 -39.24 67.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.16 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.439 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -67.73 -45.49 74.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.892 179.892 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.443 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 1.6 m-80 -67.91 -39.18 83.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.559 ' CE1' ' HD2' ' A' ' 14' ' ' ARG . 0.9 OUTLIER -68.62 -47.24 67.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.89 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.519 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.7 OUTLIER -63.44 -44.22 95.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.134 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.519 ' N ' ' CG2' ' A' ' 11' ' ' THR . 0.1 OUTLIER -73.14 -41.14 64.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.62 ' O ' HD12 ' A' ' 13' ' ' LEU . 6.4 tp -65.26 -31.05 72.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.559 ' HD2' ' CE1' ' A' ' 10' ' ' TYR . 3.4 mtp-105 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.875 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.82 0.343 . . . . 0.0 111.063 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.451 HG22 ' HE2' ' A' ' 22' ' ' TYR . 2.2 t -69.43 -49.42 60.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.135 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.941 ' HA ' HD22 ' A' ' 23' ' ' LEU . 1.0 OUTLIER -55.41 -31.06 61.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.89 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.508 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 1.2 tmtm? -64.36 -52.82 56.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.719 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -72.98 -50.45 23.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 1.115 HD23 ' N ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -54.6 -34.78 62.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.94 179.927 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 1.115 ' N ' HD23 ' A' ' 23' ' ' LEU . 38.3 t30 -70.15 -32.73 70.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 29' ' ' GLY . 1.9 t -77.27 -34.01 55.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.92 HD13 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -102.14 -54.65 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.147 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.92 ' N ' HD13 ' A' ' 26' ' ' ILE . 6.5 tp -64.22 -26.72 68.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.449 ' O ' ' CG ' ' A' ' 28' ' ' ASN . 12.6 t-20 -126.86 8.97 6.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.499 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.8 p . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.832 0.349 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.616 ' CD1' ' O ' ' A' ' 6' ' ' PHE . 2.8 t80 -55.17 -22.94 19.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.0 m -54.47 -39.51 67.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.133 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.433 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.6 OUTLIER -67.65 -45.28 75.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.907 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.429 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 1.6 m-80 -67.9 -39.13 83.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -68.63 -46.6 68.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.893 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.521 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.7 OUTLIER -64.22 -44.12 92.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.158 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.521 ' N ' ' CG2' ' A' ' 11' ' ' THR . 0.6 OUTLIER -73.03 -40.83 64.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.833 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.562 HD13 ' C ' ' A' ' 13' ' ' LEU . 2.9 tm? -63.51 -33.79 76.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.0 mtp85 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.935 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.796 0.331 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.506 HG22 ' HE2' ' A' ' 22' ' ' TYR . 2.2 t -70.43 -46.89 68.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.153 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.896 ' HA ' HD22 ' A' ' 23' ' ' LEU . 4.6 ttpp -54.46 -33.6 59.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.4 mmmt -61.78 -52.73 63.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.728 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -73.36 -50.58 21.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 1.105 HD23 ' N ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -54.72 -34.18 62.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 1.105 ' N ' HD23 ' A' ' 23' ' ' LEU . 41.1 t30 -70.31 -32.91 70.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.458 ' O ' ' C ' ' A' ' 29' ' ' GLY . 7.5 t -77.11 -33.59 56.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.931 HD13 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -101.99 -54.87 6.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.119 179.93 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.931 ' N ' HD13 ' A' ' 26' ' ' ILE . 5.9 tp -64.32 -27.64 69.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.466 ' O ' ' CG ' ' A' ' 28' ' ' ASN . 12.7 t-20 -125.8 8.95 7.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.9 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.45 -0.374 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.475 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 9.5 m80 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.834 0.349 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.5 p -70.9 -49.82 41.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.5 p30 -121.99 164.93 16.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 62.74 24.98 14.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.154 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.6 p -68.19 -23.83 29.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.153 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.606 ' CD1' ' O ' ' A' ' 6' ' ' PHE . 2.8 t80 -55.1 -23.02 18.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.856 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.0 m -54.39 -39.46 67.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.163 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.435 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.6 OUTLIER -67.75 -45.31 75.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.431 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 1.6 m-80 -67.97 -39.16 83.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -68.81 -46.6 68.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.953 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.509 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.7 OUTLIER -63.96 -44.39 92.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.125 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.509 ' N ' ' CG2' ' A' ' 11' ' ' THR . 0.4 OUTLIER -72.98 -41.26 64.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.594 HD13 ' C ' ' A' ' 13' ' ' LEU . 2.8 tm? -63.41 -32.64 74.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.94 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.3 mtp85 -57.46 -32.23 66.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.442 ' HG2' ' N ' ' A' ' 16' ' ' GLN . 11.8 pttt -69.12 -37.39 78.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.442 ' N ' ' HG2' ' A' ' 15' ' ' LYS . 12.9 mm100 -62.39 -35.89 80.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.6 mmt -54.24 -33.07 57.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.81 -49.54 72.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.105 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.455 HG22 ' HE2' ' A' ' 22' ' ' TYR . 2.4 t -69.76 -47.99 67.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.145 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.934 ' HA ' HD22 ' A' ' 23' ' ' LEU . 12.5 pttt -54.44 -31.96 56.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.888 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.3 tptt -63.66 -52.99 58.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.722 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -72.93 -50.25 24.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 1.11 HD23 ' N ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -56.06 -31.2 62.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.913 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 1.11 ' N ' HD23 ' A' ' 23' ' ' LEU . 29.1 t30 -70.09 -33.54 72.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.509 ' O ' ' CA ' ' A' ' 29' ' ' GLY . 5.7 t -76.91 -34.64 57.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.83 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.92 HD13 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -97.76 -54.69 6.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.124 179.937 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.92 ' N ' HD13 ' A' ' 26' ' ' ILE . 1.0 OUTLIER -66.08 -34.88 79.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.944 179.893 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.473 ' O ' ' CG ' ' A' ' 28' ' ' ASN . 13.6 t-20 -118.29 10.77 12.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.509 ' CA ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.501 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 40.5 m80 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.803 0.335 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.1 m -107.45 144.08 34.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.904 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -145.3 171.32 14.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -104.37 -50.71 3.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.089 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.1 p -59.71 -35.04 57.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.612 ' CD1' ' O ' ' A' ' 6' ' ' PHE . 2.9 t80 -55.12 -23.05 19.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.0 m -54.43 -39.55 67.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.143 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.422 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.6 OUTLIER -67.74 -44.96 76.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.898 179.907 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -68.05 -39.21 83.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -68.98 -47.38 65.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.512 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.7 OUTLIER -62.46 -44.57 96.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.149 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.512 ' N ' ' CG2' ' A' ' 11' ' ' THR . 2.3 ppt_? -72.97 -34.36 66.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.964 ' O ' HD12 ' A' ' 13' ' ' LEU . 1.3 tp -67.03 -31.12 71.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.7 ptt-85 -55.35 -22.59 19.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.451 ' CD ' ' O ' ' A' ' 12' ' ' ARG . 7.1 ptmt -70.28 -37.05 74.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -67.25 -44.23 79.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -78.42 -17.62 56.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.05 -51.84 39.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.15 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.56 HG22 ' HE2' ' A' ' 22' ' ' TYR . 2.2 t -68.63 -46.66 79.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.126 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.817 ' HA ' HD22 ' A' ' 23' ' ' LEU . 2.3 ttmm -54.07 -32.0 53.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.4 mmtt -64.03 -52.86 57.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.719 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -72.98 -50.07 25.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 1.025 HD23 ' N ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -53.65 -30.97 45.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 1.025 ' N ' HD23 ' A' ' 23' ' ' LEU . 2.5 m120 -70.03 -33.29 71.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.514 ' O ' ' CA ' ' A' ' 29' ' ' GLY . 1.3 t -76.86 -34.26 57.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.82 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.937 HD13 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -98.74 -54.94 6.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.097 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.937 ' N ' HD13 ' A' ' 26' ' ' ILE . 1.0 OUTLIER -65.56 -32.88 74.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 179.903 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.465 ' O ' ' CG ' ' A' ' 28' ' ' ASN . 13.4 t-20 -120.67 10.28 10.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.514 ' CA ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.264 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.47 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 31.3 m80 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.817 0.341 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.7 p -57.13 140.26 49.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -103.35 -49.02 3.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.859 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -173.69 105.61 0.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.2 p -88.34 -40.99 13.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.626 ' CD1' ' O ' ' A' ' 6' ' ' PHE . 3.0 t80 -55.01 -23.01 17.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.892 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.1 m -54.54 -39.56 67.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.163 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.432 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -67.84 -46.04 72.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.836 179.928 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.404 ' HA ' ' CG ' ' A' ' 12' ' ' ARG . 1.7 m-80 -67.86 -38.39 83.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.572 ' CE1' ' HD2' ' A' ' 14' ' ' ARG . 0.6 OUTLIER -70.05 -44.76 68.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.934 -179.937 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.482 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.7 OUTLIER -66.16 -42.44 88.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.11 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.499 ' O ' ' CG ' ' A' ' 15' ' ' LYS . 0.1 OUTLIER -72.83 -32.0 65.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.854 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.475 ' O ' HD22 ' A' ' 13' ' ' LEU . 2.1 tm? -73.42 -37.68 65.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.572 ' HD2' ' CE1' ' A' ' 10' ' ' TYR . 6.2 mtp-105 -56.67 -44.1 81.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.499 ' CG ' ' O ' ' A' ' 12' ' ' ARG . 2.9 ptmm? -65.57 -36.83 84.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -56.22 -26.61 51.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.481 ' HA ' ' CD ' ' A' ' 20' ' ' LYS . 18.3 mmm -55.27 -32.71 62.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.66 -52.03 62.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.093 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.468 HG22 ' HE2' ' A' ' 22' ' ' TYR . 2.4 t -69.82 -47.97 66.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.133 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.952 ' HA ' HD22 ' A' ' 23' ' ' LEU . 11.0 ptmt -54.54 -31.93 57.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? -63.65 -53.01 58.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.727 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -72.92 -50.16 25.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.909 -179.911 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 1.09 HD23 ' N ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -56.29 -31.21 63.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.951 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 1.09 ' N ' HD23 ' A' ' 23' ' ' LEU . 29.4 t30 -70.44 -33.33 71.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 29' ' ' GLY . 1.6 t -76.71 -32.9 58.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.915 HD13 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -100.4 -55.02 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.079 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.915 ' N ' HD13 ' A' ' 26' ' ' ILE . 1.1 tt -65.42 -32.55 74.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.472 ' O ' ' CG ' ' A' ' 28' ' ' ASN . 13.3 t-20 -120.15 10.58 11.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.462 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 2.0 m80 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.823 0.344 . . . . 0.0 110.821 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.2 t -122.29 91.96 3.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.873 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -136.01 135.98 39.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.853 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.66 -42.25 61.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.101 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.3 p -63.17 -35.61 72.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.108 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.607 ' CD1' ' O ' ' A' ' 6' ' ' PHE . 2.9 t80 -55.18 -22.96 19.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.0 m -54.53 -39.46 67.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.142 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.422 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.6 OUTLIER -67.75 -44.98 76.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.917 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -67.96 -39.09 83.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -68.93 -47.04 66.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.506 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.7 OUTLIER -63.3 -44.1 95.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.179 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.506 ' N ' ' CG2' ' A' ' 11' ' ' THR . 0.3 OUTLIER -73.02 -38.17 66.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.861 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.417 ' N ' ' HD3' ' A' ' 12' ' ' ARG . 65.5 tp -64.55 -30.55 71.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 15.0 ptt85 -54.68 -23.38 17.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.892 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.3 pttp -70.48 -36.66 73.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -56.2 -29.49 60.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.445 ' HA ' ' CE ' ' A' ' 20' ' ' LYS . 6.4 mtt -61.73 -17.61 56.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.71 -47.08 82.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.112 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.502 HG22 ' HE2' ' A' ' 22' ' ' TYR . 2.1 t -69.89 -48.63 62.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.106 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.866 ' HA ' HD22 ' A' ' 23' ' ' LEU . 6.4 ptpt -54.58 -31.63 57.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.891 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.7 tptp -64.13 -52.89 56.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.915 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.728 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -72.93 -50.13 25.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 1.028 HD23 ' N ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -53.66 -30.92 45.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.903 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 1.028 ' N ' HD23 ' A' ' 23' ' ' LEU . 19.8 m-20 -69.93 -33.39 72.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.5 ' O ' ' CA ' ' A' ' 29' ' ' GLY . 7.9 t -76.82 -34.65 57.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.818 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.907 HD13 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -98.24 -54.7 6.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.141 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.907 ' N ' HD13 ' A' ' 26' ' ' ILE . 1.0 OUTLIER -65.76 -33.93 77.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.885 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.46 ' O ' ' CG ' ' A' ' 28' ' ' ASN . 13.4 t-20 -119.39 10.39 11.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.5 ' CA ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.282 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.459 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 8.4 p-80 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.835 0.35 . . . . 0.0 110.822 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.8 t 63.83 39.53 8.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.67 111.29 22.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.834 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 65.04 25.05 12.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.124 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.6 p -64.46 -31.69 54.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.102 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.636 ' CD1' ' O ' ' A' ' 6' ' ' PHE . 3.1 t80 -58.56 -22.86 57.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.1 m -54.02 -40.75 67.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.158 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.436 ' O ' HG22 ' A' ' 11' ' ' THR . 2.0 m-20 -67.47 -44.11 79.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.434 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 1.0 OUTLIER -68.48 -37.35 80.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.907 -179.926 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.457 ' HB2' ' CZ ' ' A' ' 6' ' ' PHE . 0.6 OUTLIER -71.94 -45.2 61.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.947 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.466 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.6 OUTLIER -61.01 -41.58 96.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.136 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.479 ' HD3' ' N ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -72.57 -29.8 63.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.48 ' O ' ' CD2' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -71.84 -32.54 67.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.97 -24.97 57.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.1 pttt -69.88 -37.25 75.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -56.24 -36.46 68.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.921 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.466 ' HA ' ' CD ' ' A' ' 20' ' ' LYS . 8.8 mmt -56.18 -24.82 43.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.67 -51.99 62.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.455 HG22 ' HE2' ' A' ' 22' ' ' TYR . 2.4 t -69.95 -47.83 66.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.085 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.916 ' HA ' HD22 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -54.52 -31.86 57.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.414 ' HD2' ' C ' ' A' ' 21' ' ' LYS . 1.0 OUTLIER -63.66 -53.0 58.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.868 179.874 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.73 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -72.96 -50.21 24.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.929 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 1.097 HD23 ' N ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -56.04 -31.29 63.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.908 179.934 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 1.097 ' N ' HD23 ' A' ' 23' ' ' LEU . 29.3 t30 -70.41 -33.38 71.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.458 ' O ' ' C ' ' A' ' 29' ' ' GLY . 7.0 t -76.9 -33.26 57.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.837 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.916 HD13 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -99.66 -54.93 6.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.128 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.916 ' N ' HD13 ' A' ' 26' ' ' ILE . 1.0 OUTLIER -65.52 -34.25 77.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 179.874 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.474 ' O ' ' CG ' ' A' ' 28' ' ' ASN . 13.5 t-20 -118.12 10.85 13.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.488 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 8.0 t60 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.812 0.339 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -105.79 -61.44 1.5 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -101.59 177.75 4.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.852 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -95.54 24.34 5.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 8.4 p -58.79 -34.73 52.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.097 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.607 ' CD1' ' O ' ' A' ' 6' ' ' PHE . 2.9 t80 -55.13 -23.0 18.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.0 m -54.43 -39.55 67.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.132 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.419 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.7 OUTLIER -67.74 -44.94 76.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -67.96 -39.17 83.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.9 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -68.61 -46.84 68.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.893 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.513 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.7 OUTLIER -63.67 -44.29 94.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.136 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.513 ' N ' ' CG2' ' A' ' 11' ' ' THR . 0.1 OUTLIER -73.03 -38.56 66.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.64 HD13 ' C ' ' A' ' 13' ' ' LEU . 2.5 tm? -60.03 -32.43 70.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.95 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.404 ' CD ' ' O ' ' A' ' 11' ' ' THR . 7.0 ptt180 -57.24 -26.34 60.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.411 ' HG2' ' N ' ' A' ' 16' ' ' GLN . 4.6 ptmt -69.91 -37.31 75.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.411 ' N ' ' HG2' ' A' ' 15' ' ' LYS . 11.7 mm100 -66.31 -30.39 70.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 34.5 mtt -55.91 -18.92 10.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.73 -50.04 70.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.126 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.592 HG22 ' HE2' ' A' ' 22' ' ' TYR . 2.1 t -69.71 -48.13 66.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.089 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.819 ' HA ' HD22 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -54.07 -31.51 51.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.919 179.918 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.2 tmtt? -64.49 -52.98 55.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.72 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -72.95 -49.63 28.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.911 -179.923 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 1.079 HD23 ' N ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -53.4 -33.42 53.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 1.079 ' N ' HD23 ' A' ' 23' ' ' LEU . 27.8 m-20 -70.04 -33.09 71.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.512 ' O ' ' CA ' ' A' ' 29' ' ' GLY . 3.7 t -77.15 -34.54 56.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.82 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.923 HD13 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -100.62 -54.89 6.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.161 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.923 ' N ' HD13 ' A' ' 26' ' ' ILE . 5.8 tp -64.58 -27.55 69.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.454 ' O ' ' CG ' ' A' ' 28' ' ' ASN . 12.9 t-20 -126.67 8.97 7.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.512 ' CA ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.479 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 46.3 m80 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.775 0.321 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m 62.07 31.77 17.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.835 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.533 ' O ' ' HB3' ' A' ' 4' ' ' ALA . 4.8 t70 -111.07 9.65 22.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.533 ' HB3' ' O ' ' A' ' 3' ' ' ASP . . . 73.34 25.01 2.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.096 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.9 p -67.83 -28.91 43.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.611 ' CD1' ' O ' ' A' ' 6' ' ' PHE . 2.8 t80 -55.16 -22.94 18.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.87 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.5 m -54.49 -39.45 67.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.142 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.427 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.8 OUTLIER -67.74 -44.94 76.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.856 179.915 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -67.99 -39.17 83.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -69.0 -47.03 66.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.937 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.523 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.7 OUTLIER -63.15 -44.37 95.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.11 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.523 ' N ' ' CG2' ' A' ' 11' ' ' THR . 0.1 OUTLIER -72.98 -37.31 67.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.91 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.755 HD13 ' C ' ' A' ' 13' ' ' LEU . 1.9 tm? -63.49 -32.56 74.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.93 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.9 ptt85 -57.49 -28.53 63.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.451 ' HG2' ' N ' ' A' ' 16' ' ' GLN . 7.4 pttt -69.36 -37.35 77.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.451 ' N ' ' HG2' ' A' ' 15' ' ' LYS . 14.0 mm100 -58.55 -24.82 61.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 18.7 mtt -60.35 -32.74 71.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.2 -36.78 32.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.159 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.62 HG22 ' HE2' ' A' ' 22' ' ' TYR . 2.1 t -60.05 -47.23 92.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.172 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.834 ' HA ' HD22 ' A' ' 23' ' ' LEU . 0.8 OUTLIER -54.0 -31.5 51.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 179.909 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.439 ' N ' ' HG2' ' A' ' 20' ' ' LYS . 3.2 tmmm? -64.38 -53.09 54.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.907 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.731 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -72.89 -49.65 28.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 1.051 HD23 ' N ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -53.3 -33.55 53.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.916 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 1.051 ' N ' HD23 ' A' ' 23' ' ' LEU . 28.5 m-20 -70.31 -33.08 71.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.455 ' O ' ' C ' ' A' ' 29' ' ' GLY . 3.0 t -77.21 -33.35 56.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.86 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.934 HD13 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -102.06 -54.89 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.102 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.934 ' N ' HD13 ' A' ' 26' ' ' ILE . 5.9 tp -64.42 -27.65 69.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.466 ' O ' ' CG ' ' A' ' 28' ' ' ASN . 12.9 t-20 -125.82 9.11 7.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.856 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.471 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 6.3 m170 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.821 0.343 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.5 t -97.81 159.48 14.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -154.43 146.19 23.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.843 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.24 -29.0 63.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.086 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.5 p -73.47 -28.99 26.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.103 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.61 ' CD1' ' O ' ' A' ' 6' ' ' PHE . 2.9 t80 -55.09 -23.17 19.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.0 m -54.75 -39.55 68.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.18 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.423 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.9 OUTLIER -67.62 -45.18 76.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 179.902 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.431 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 1.7 m-80 -67.92 -38.93 83.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -68.08 -45.56 73.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.493 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.6 OUTLIER -65.91 -42.58 89.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.178 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.493 ' N ' ' CG2' ' A' ' 11' ' ' THR . 0.1 OUTLIER -74.84 -34.95 62.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.506 ' O ' HD22 ' A' ' 13' ' ' LEU . 1.9 tm? -73.57 -42.47 61.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.466 ' HG3' ' N ' ' A' ' 15' ' ' LYS . 3.4 ptm180 -55.53 -28.42 54.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.483 ' HG2' ' N ' ' A' ' 16' ' ' GLN . 5.9 pttp -70.5 -36.53 73.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.868 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.483 ' N ' ' HG2' ' A' ' 15' ' ' LYS . 7.9 mm100 -56.01 -32.12 63.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.464 ' HA ' ' CD ' ' A' ' 20' ' ' LYS . 3.9 mtt -54.23 -24.79 19.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.69 -52.12 62.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.06 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.452 HG22 ' HE2' ' A' ' 22' ' ' TYR . 2.4 t -69.85 -47.83 67.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.139 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.904 ' HA ' HD22 ' A' ' 23' ' ' LEU . 9.4 ptmt -54.39 -31.96 56.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.69 -52.99 58.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.727 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -72.99 -50.21 24.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 1.106 HD23 ' N ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -56.03 -31.2 62.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.906 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 1.106 ' N ' HD23 ' A' ' 23' ' ' LEU . 30.2 t30 -70.36 -33.42 71.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.921 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.459 ' O ' ' C ' ' A' ' 29' ' ' GLY . 8.0 t -76.88 -33.31 57.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.834 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.91 HD13 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -99.65 -54.82 6.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.127 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.91 ' N ' HD13 ' A' ' 26' ' ' ILE . 1.0 OUTLIER -65.7 -34.12 77.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.943 179.851 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.479 ' O ' ' CG ' ' A' ' 28' ' ' ASN . 13.5 t-20 -118.26 10.9 12.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.459 ' C ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.519 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' HIS . . . . . 0.428 ' CG ' ' O ' ' A' ' 1' ' ' HIS . 46.1 p-80 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.807 0.337 . . . . 0.0 110.851 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m 62.37 33.01 16.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -85.5 164.23 17.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.843 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -113.24 -39.29 4.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.3 p -60.5 -33.43 54.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.157 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.615 ' CD1' ' O ' ' A' ' 6' ' ' PHE . 2.9 t80 -55.08 -23.04 18.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.0 m -54.63 -39.36 67.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.138 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.435 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -67.73 -45.32 75.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 179.925 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.442 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 1.6 m-80 -67.89 -39.17 83.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -68.12 -46.82 69.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.506 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.7 OUTLIER -64.47 -44.11 92.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.141 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.506 ' N ' ' CG2' ' A' ' 11' ' ' THR . 0.1 OUTLIER -73.03 -40.39 65.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.608 HD13 ' C ' ' A' ' 13' ' ' LEU . 2.7 tm? -63.84 -34.17 77.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.2 mtp180 -57.5 -31.49 66.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.813 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.481 ' HG2' ' N ' ' A' ' 16' ' ' GLN . 8.3 pttt -69.72 -37.35 76.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.481 ' N ' ' HG2' ' A' ' 15' ' ' LYS . 14.7 mm100 -56.99 -25.72 58.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 16.3 mtt -63.87 -21.35 66.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.7 -50.57 68.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.099 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.507 HG22 ' HE2' ' A' ' 22' ' ' TYR . 2.3 t -69.66 -48.01 67.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.147 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.914 ' HA ' HD22 ' A' ' 23' ' ' LEU . 7.0 pttp -54.18 -31.84 53.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.93 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.66 -53.15 55.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.731 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -73.05 -50.54 22.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 1.107 HD23 ' N ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -54.02 -35.22 61.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.939 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 1.107 ' N ' HD23 ' A' ' 23' ' ' LEU . 39.4 t30 -69.93 -32.91 71.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.513 ' O ' ' CA ' ' A' ' 29' ' ' GLY . 4.9 t -77.2 -34.93 56.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.872 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.923 HD13 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -100.78 -54.71 6.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.134 179.926 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.923 ' N ' HD13 ' A' ' 26' ' ' ILE . 6.3 tp -64.39 -26.72 68.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.931 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.448 ' O ' ' CG ' ' A' ' 28' ' ' ASN . 12.8 t-20 -127.54 8.85 6.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.922 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.513 ' CA ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.486 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 66.2 m80 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.804 0.335 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.1 m -94.89 85.8 4.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -69.2 176.01 3.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.849 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -77.39 -54.45 6.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.107 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.7 p -71.91 -32.92 46.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.098 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.632 ' CD1' ' O ' ' A' ' 6' ' ' PHE . 3.1 t80 -57.9 -22.78 50.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.2 m -54.1 -40.73 67.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.143 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.437 ' O ' HG22 ' A' ' 11' ' ' THR . 1.5 m-20 -67.5 -44.06 79.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.835 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.421 ' O ' ' HB2' ' A' ' 13' ' ' LEU . 1.2 m-80 -68.53 -37.33 79.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.474 ' HB2' ' CZ ' ' A' ' 6' ' ' PHE . 0.6 OUTLIER -71.95 -45.44 61.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.858 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.473 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.6 OUTLIER -60.66 -41.6 95.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.121 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.474 ' HD3' ' N ' ' A' ' 13' ' ' LEU . 0.4 OUTLIER -72.65 -29.46 63.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.83 -179.908 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.49 ' O ' ' CD2' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -72.77 -32.18 65.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.7 ptt180 -56.64 -24.9 51.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.431 ' HG2' ' N ' ' A' ' 16' ' ' GLN . 14.2 pttt -70.02 -37.14 75.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.431 ' N ' ' HG2' ' A' ' 15' ' ' LYS . 10.6 mm100 -59.56 -47.15 86.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 22.2 ptp -70.69 -23.51 62.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.75 -51.84 63.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.109 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.555 HG22 ' HE2' ' A' ' 22' ' ' TYR . 2.2 t -69.75 -47.9 67.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.106 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.865 ' HA ' HD22 ' A' ' 23' ' ' LEU . 31.6 pttt -54.12 -31.7 53.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.7 tmtt? -64.14 -52.93 56.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.724 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -73.01 -49.93 26.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.94 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 1.043 HD23 ' N ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -53.74 -30.92 46.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.867 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 1.043 ' N ' HD23 ' A' ' 23' ' ' LEU . 20.3 m-20 -70.26 -33.17 71.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.884 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 29' ' ' GLY . 7.9 t -76.76 -33.1 58.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.827 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.92 HD13 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -100.42 -55.05 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.132 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.92 ' N ' HD13 ' A' ' 26' ' ' ILE . 1.1 tt -65.15 -32.06 73.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.479 ' O ' ' CG ' ' A' ' 28' ' ' ASN . 13.2 t-20 -120.74 10.55 10.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.45 -0.376 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.5 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.82 0.343 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 t -125.2 -64.51 1.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.845 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -83.99 155.31 22.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.861 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -93.64 18.02 10.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.095 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.4 p -60.05 -26.59 36.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.606 ' CD1' ' O ' ' A' ' 6' ' ' PHE . 2.8 t80 -55.15 -22.88 18.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.4 m -54.54 -39.48 67.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.096 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.424 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.6 OUTLIER -67.65 -45.31 75.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.848 179.928 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.406 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 1.6 m-80 -67.91 -39.02 83.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -68.78 -46.36 68.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.934 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.511 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.7 OUTLIER -64.42 -43.75 93.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.18 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.511 ' N ' ' CG2' ' A' ' 11' ' ' THR . 0.0 OUTLIER -72.96 -40.34 65.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.521 HD13 ' C ' ' A' ' 13' ' ' LEU . 2.6 tm? -64.6 -33.38 75.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.902 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.9 mtp180 -57.7 -36.57 72.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.486 ' HG2' ' N ' ' A' ' 16' ' ' GLN . 11.7 pttt -66.68 -37.14 84.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.486 ' N ' ' HG2' ' A' ' 15' ' ' LYS . 15.4 mm100 -56.73 -26.21 56.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.932 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.404 ' O ' ' HG3' ' A' ' 20' ' ' LYS . 19.8 mtt -54.98 -17.73 4.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.85 -49.99 70.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.073 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.549 HG22 ' HE2' ' A' ' 22' ' ' TYR . 2.2 t -69.78 -48.15 66.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.176 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.827 ' HA ' HD22 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -53.9 -31.14 48.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.867 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.7 tppt? -65.31 -52.95 50.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.728 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -72.87 -49.85 27.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 1.012 HD23 ' N ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -53.13 -31.15 40.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.952 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 1.012 ' N ' HD23 ' A' ' 23' ' ' LEU . 2.1 m120 -70.77 -33.44 70.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.2 t -76.94 -31.33 56.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.998 HD13 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -102.07 -55.59 5.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.173 179.926 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.998 ' N ' HD13 ' A' ' 26' ' ' ILE . 1.1 tt -64.67 -33.14 75.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.974 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.502 ' O ' ' CG ' ' A' ' 28' ' ' ASN . 13.8 t-20 -118.07 13.46 13.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 28' ' ' ASN . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.482 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 9.0 m170 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.765 0.317 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 t -41.38 -60.32 1.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.848 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -168.82 -179.51 3.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.849 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -89.37 -43.18 11.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 5.6 p -60.36 -35.2 61.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.138 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.607 ' CD1' ' O ' ' A' ' 6' ' ' PHE . 2.8 t80 -55.16 -23.04 19.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.0 m -54.53 -39.47 67.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.156 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.418 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.5 OUTLIER -67.71 -45.02 76.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 179.868 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.407 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 1.6 m-80 -67.9 -39.19 83.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -68.44 -46.91 68.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.507 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.7 OUTLIER -63.72 -44.35 93.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.193 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.507 ' N ' ' CG2' ' A' ' 11' ' ' THR . 0.7 OUTLIER -72.94 -38.88 66.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.549 HD13 ' C ' ' A' ' 13' ' ' LEU . 2.4 tm? -61.58 -32.47 72.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.952 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.2 ptt180 -57.27 -24.06 52.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.856 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.4 ptmt -69.93 -37.25 75.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -68.91 -27.47 65.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.428 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 33.8 mtp -61.19 -17.48 53.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.86 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.03 -36.13 83.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.128 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.548 HG22 ' HE2' ' A' ' 22' ' ' TYR . 2.1 t -69.74 -49.49 57.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.131 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.827 ' HA ' HD22 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -54.84 -30.81 58.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.871 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.501 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 16.9 mmtt -65.19 -52.77 52.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.732 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -72.93 -49.5 29.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.909 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 1.073 HD23 ' N ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -53.49 -33.77 55.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 1.073 ' N ' HD23 ' A' ' 23' ' ' LEU . 27.6 m-20 -70.02 -33.14 71.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.498 ' O ' ' CA ' ' A' ' 29' ' ' GLY . 2.5 t -77.12 -34.52 56.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.913 HD13 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -100.57 -54.9 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.136 179.932 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.913 ' N ' HD13 ' A' ' 26' ' ' ILE . 5.8 tp -64.57 -27.7 69.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.452 ' O ' ' CG ' ' A' ' 28' ' ' ASN . 13.0 t-20 -126.45 8.92 7.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.498 ' CA ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.498 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.83 0.347 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.8 m -101.74 32.47 3.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -101.69 -53.83 2.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.88 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -174.72 105.88 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.088 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.0 p -94.36 -33.41 5.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.188 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.613 ' CD1' ' O ' ' A' ' 6' ' ' PHE . 2.8 t80 -55.1 -22.99 18.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.9 m -54.55 -39.47 67.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.102 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.433 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -67.74 -45.36 75.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 179.931 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.474 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 3.1 m-20 -67.82 -39.14 83.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.845 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.646 ' CZ ' ' NE ' ' A' ' 14' ' ' ARG . 0.8 OUTLIER -68.22 -45.81 72.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 -179.898 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.519 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.6 OUTLIER -65.76 -44.5 85.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.144 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.519 ' N ' ' CG2' ' A' ' 11' ' ' THR . 0.0 OUTLIER -73.02 -37.81 66.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.633 HD13 ' C ' ' A' ' 13' ' ' LEU . 2.8 tm? -67.45 -32.54 73.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.646 ' NE ' ' CZ ' ' A' ' 10' ' ' TYR . 28.0 mtm180 -57.42 -35.85 70.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.47 ' HG2' ' N ' ' A' ' 16' ' ' GLN . 7.9 pttt -67.43 -37.57 83.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.47 ' N ' ' HG2' ' A' ' 15' ' ' LYS . 14.1 mm100 -60.13 -39.49 86.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.961 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 65.8 mtm -54.95 -31.79 60.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.07 -36.42 29.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.54 HG22 ' HE2' ' A' ' 22' ' ' TYR . 2.3 t -64.29 -46.94 91.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.107 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.848 ' HA ' HD22 ' A' ' 23' ' ' LEU . 2.8 ptmt -54.0 -31.86 52.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.927 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.464 ' N ' ' HG2' ' A' ' 20' ' ' LYS . 2.7 mmmp? -63.79 -53.22 54.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.858 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.726 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -72.94 -50.53 22.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.933 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 1.084 HD23 ' N ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -53.84 -32.96 54.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 1.084 ' N ' HD23 ' A' ' 23' ' ' LEU . 41.6 t30 -72.17 -33.08 67.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.6 t -77.72 -24.6 49.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 1.013 HD13 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -112.21 -55.72 4.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.122 179.915 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 1.013 ' N ' HD13 ' A' ' 26' ' ' ILE . 6.1 tp -63.34 -28.23 69.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.896 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.461 ' O ' ' CG ' ' A' ' 28' ' ' ASN . 11.9 t-20 -119.47 8.46 11.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.872 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.506 179.966 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 40.5 p-80 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.798 0.333 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 t -60.49 168.4 2.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -146.1 140.85 27.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.839 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -47.16 -42.98 20.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.083 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.2 p -74.89 -36.7 39.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.109 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.622 ' CD1' ' O ' ' A' ' 6' ' ' PHE . 2.9 t80 -55.18 -22.86 19.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.1 m -54.18 -39.85 66.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.129 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.43 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.4 OUTLIER -67.68 -45.02 76.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.943 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.412 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 1.1 m-80 -67.85 -38.29 82.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -71.28 -47.63 55.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.477 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.7 OUTLIER -61.49 -42.41 98.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.101 -179.935 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.477 ' N ' ' CG2' ' A' ' 11' ' ' THR . 0.1 OUTLIER -73.06 -38.22 66.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.406 ' N ' ' HD3' ' A' ' 12' ' ' ARG . 5.8 tp -73.41 -31.23 63.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.923 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.421 ' HG3' ' O ' ' A' ' 11' ' ' THR . 0.1 OUTLIER -55.44 -24.18 29.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.6 ptmt -70.35 -37.05 74.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.405 ' HB2' HD12 ' A' ' 13' ' ' LEU . 6.2 mm-40 -63.23 -28.65 70.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.9 mmt -57.7 -17.65 16.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.76 -50.45 69.01 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.102 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.549 HG22 ' HE2' ' A' ' 22' ' ' TYR . 2.2 t -69.71 -47.95 67.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.86 ' HA ' HD22 ' A' ' 23' ' ' LEU . 6.6 pttm -54.12 -31.68 52.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.8 tmtt? -64.19 -52.94 56.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.731 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -72.96 -50.03 25.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 1.033 HD23 ' N ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -53.62 -30.97 45.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.913 179.944 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 1.033 ' N ' HD23 ' A' ' 23' ' ' LEU . 20.2 m-20 -70.17 -33.25 71.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.458 ' O ' ' C ' ' A' ' 29' ' ' GLY . 7.4 t -76.83 -33.43 57.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.933 HD13 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -99.84 -54.95 6.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.149 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.933 ' N ' HD13 ' A' ' 26' ' ' ILE . 1.1 tt -65.35 -33.53 76.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.477 ' O ' ' CG ' ' A' ' 28' ' ' ASN . 13.4 t-20 -119.02 10.99 12.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.467 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 2.7 m80 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.814 0.34 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 m -65.5 159.57 24.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -174.17 156.48 2.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.861 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -46.44 -38.53 9.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.071 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.6 p -68.11 -36.38 75.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.075 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.627 ' CD1' ' O ' ' A' ' 6' ' ' PHE . 3.1 t80 -58.11 -22.69 51.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.1 m -53.89 -40.55 66.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.098 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.436 ' O ' HG22 ' A' ' 11' ' ' THR . 0.5 OUTLIER -67.59 -43.84 79.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.846 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.428 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 1.2 m-80 -68.76 -37.49 79.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.879 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.433 ' HB2' ' CZ ' ' A' ' 6' ' ' PHE . 0.6 OUTLIER -71.72 -45.45 61.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.973 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.508 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.6 OUTLIER -60.82 -43.87 97.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.201 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.508 ' N ' ' CG2' ' A' ' 11' ' ' THR . 0.2 OUTLIER -69.21 -34.58 75.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.483 ' O ' ' CD2' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -67.83 -32.46 73.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 -56.98 -24.93 57.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.84 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.6 pttp -69.89 -37.3 75.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -57.07 -34.65 68.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.952 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 17.5 mtt -56.57 -29.24 61.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.54 -49.33 73.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.066 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.516 HG22 ' HE2' ' A' ' 22' ' ' TYR . 2.3 t -69.57 -47.6 70.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.916 ' HA ' HD22 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -54.02 -31.9 52.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 179.899 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.426 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 33.7 tptt -63.58 -53.24 54.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.727 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -73.06 -50.46 22.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.914 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 1.087 HD23 ' N ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -54.08 -35.12 61.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.951 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 1.087 ' N ' HD23 ' A' ' 23' ' ' LEU . 42.5 t30 -69.99 -32.91 71.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.507 ' O ' ' CA ' ' A' ' 29' ' ' GLY . 4.7 t -77.18 -34.84 56.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.846 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.923 HD13 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -100.91 -54.7 6.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.12 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.923 ' N ' HD13 ' A' ' 26' ' ' ILE . 6.1 tp -64.37 -26.73 68.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.95 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.452 ' O ' ' CG ' ' A' ' 28' ' ' ASN . 12.7 t-20 -127.59 8.87 6.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.507 ' CA ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.543 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.83 0.348 . . . . 0.0 110.804 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m 38.86 46.84 1.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.87 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -92.39 137.41 32.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.828 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 61.46 25.04 15.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.088 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.459 ' O ' ' CG ' ' A' ' 8' ' ' ASP . 3.8 p -68.17 -19.53 24.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.602 ' CD1' ' O ' ' A' ' 6' ' ' PHE . 2.8 t80 -69.26 -22.33 63.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.0 m -54.74 -41.25 70.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.155 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.497 ' OD1' ' N ' ' A' ' 9' ' ' ASN . 1.8 p30 -67.45 -44.26 79.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.497 ' N ' ' OD1' ' A' ' 8' ' ' ASP . 0.9 OUTLIER -67.75 -39.01 84.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -69.4 -46.31 67.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.928 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.504 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.7 OUTLIER -64.25 -43.69 94.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.117 -179.938 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.504 ' N ' ' CG2' ' A' ' 11' ' ' THR . 0.0 OUTLIER -72.92 -41.37 64.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.542 HD13 ' C ' ' A' ' 13' ' ' LEU . 3.1 tm? -63.89 -32.97 74.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.4 mtp180 -57.47 -35.66 70.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.48 ' HG2' ' N ' ' A' ' 16' ' ' GLN . 2.1 pttp -68.23 -37.26 80.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.48 ' N ' ' HG2' ' A' ' 15' ' ' LYS . 14.2 mm100 -63.72 -32.16 73.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 33.2 mtp -54.18 -26.44 28.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.831 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.67 -51.33 65.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.124 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.526 HG22 ' HE2' ' A' ' 22' ' ' TYR . 2.2 t -69.69 -47.92 68.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.116 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.931 ' HA ' HD22 ' A' ' 23' ' ' LEU . 11.3 pttp -54.18 -31.87 53.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.1 tmmm? -63.58 -53.18 55.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.722 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -73.04 -50.56 22.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 -179.931 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 1.115 HD23 ' N ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -53.83 -35.38 61.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.972 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 1.115 ' N ' HD23 ' A' ' 23' ' ' LEU . 44.2 t30 -69.95 -32.91 71.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.873 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.51 ' O ' ' CA ' ' A' ' 29' ' ' GLY . 16.8 t -77.16 -34.77 56.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.94 HD13 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -100.99 -54.71 6.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.105 179.933 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.94 ' N ' HD13 ' A' ' 26' ' ' ILE . 6.0 tp -64.33 -26.58 68.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.949 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.457 ' O ' ' CG ' ' A' ' 28' ' ' ASN . 12.6 t-20 -127.75 8.69 6.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.51 ' CA ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.458 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 13.8 p-80 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.801 0.334 . . . . 0.0 110.831 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.2 t -115.72 -65.31 1.2 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -80.07 172.96 13.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.833 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -130.37 90.11 2.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.112 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.1 p -94.38 -40.71 11.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.145 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.624 ' CD1' ' O ' ' A' ' 6' ' ' PHE . 2.9 t80 -55.13 -22.92 18.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.1 m -54.27 -39.77 67.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.43 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.8 OUTLIER -67.74 -45.29 75.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.834 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -67.84 -38.22 82.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -70.87 -45.58 64.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.472 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.7 OUTLIER -64.68 -41.47 96.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.121 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.472 ' N ' ' CG2' ' A' ' 11' ' ' THR . 0.1 OUTLIER -73.78 -35.88 65.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.875 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.475 ' O ' HD22 ' A' ' 13' ' ' LEU . 1.9 tm? -73.62 -39.97 64.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.426 ' HG3' ' O ' ' A' ' 11' ' ' THR . 0.0 OUTLIER -56.49 -32.05 64.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.495 ' HG2' ' N ' ' A' ' 16' ' ' GLN . 2.5 pttp -70.13 -36.58 74.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.495 ' N ' ' HG2' ' A' ' 15' ' ' LYS . 8.7 mm100 -56.17 -32.97 64.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.904 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.43 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 30.6 mtp -54.91 -17.45 3.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.09 -36.06 82.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.084 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.467 HG22 ' HE2' ' A' ' 22' ' ' TYR . 2.2 t -69.71 -49.41 58.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.109 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.881 ' HA ' HD22 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -55.21 -31.13 61.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.862 179.917 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.512 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 1.9 tmmm? -64.38 -52.85 56.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.867 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.723 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -73.01 -50.44 23.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.925 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 1.103 HD23 ' N ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -54.22 -35.02 61.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.904 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 1.103 ' N ' HD23 ' A' ' 23' ' ' LEU . 39.8 t30 -70.21 -32.72 70.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.865 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 29' ' ' GLY . 7.3 t -77.3 -33.99 55.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.934 HD13 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -101.93 -54.75 6.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.171 179.918 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.934 ' N ' HD13 ' A' ' 26' ' ' ILE . 7.7 tp -64.16 -27.07 68.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.467 ' O ' ' CG ' ' A' ' 28' ' ' ASN . 12.7 t-20 -126.54 9.25 7.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.459 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 8.1 t-160 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.807 0.337 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.0 t -42.38 149.6 0.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.904 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -90.65 87.91 6.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -135.04 -67.96 0.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.062 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.3 p -74.73 -32.69 29.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.148 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.624 ' CD1' ' O ' ' A' ' 6' ' ' PHE . 2.8 t80 -55.17 -23.05 19.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.0 m -54.59 -39.36 67.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.17 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.435 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -67.56 -45.5 75.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.873 179.901 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.409 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 1.7 m-80 -67.99 -39.17 83.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.51 ' CE1' ' HD2' ' A' ' 14' ' ' ARG . 0.8 OUTLIER -69.27 -46.79 66.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 -179.918 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.509 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.7 OUTLIER -63.49 -44.17 95.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.136 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.509 ' N ' ' CG2' ' A' ' 11' ' ' THR . 0.5 OUTLIER -72.98 -38.94 66.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.856 HD13 ' O ' ' A' ' 13' ' ' LEU . 2.9 tm? -66.63 -32.53 73.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.51 ' HD2' ' CE1' ' A' ' 10' ' ' TYR . 14.6 mtp180 -57.55 -38.75 75.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.483 ' HG2' ' N ' ' A' ' 16' ' ' GLN . 11.9 pttt -65.75 -37.31 86.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.483 ' N ' ' HG2' ' A' ' 15' ' ' LYS . 14.3 mm100 -56.53 -31.18 63.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.426 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 7.7 mmt -64.83 -17.4 64.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.14 -35.94 82.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.115 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.507 HG22 ' HE2' ' A' ' 22' ' ' TYR . 2.1 t -69.54 -49.66 57.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.115 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.827 ' HA ' HD22 ' A' ' 23' ' ' LEU . 7.4 pttp -55.08 -30.89 60.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.511 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 9.7 tppt? -64.98 -52.75 54.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.849 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.716 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -72.94 -49.83 27.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.918 -179.914 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 1.03 HD23 ' N ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -53.82 -30.98 47.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 1.03 ' N ' HD23 ' A' ' 23' ' ' LEU . 19.5 m-20 -70.32 -33.2 71.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 29' ' ' GLY . 8.4 t -76.62 -33.12 58.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.929 HD13 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -100.36 -55.0 6.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.158 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.929 ' N ' HD13 ' A' ' 26' ' ' ILE . 1.1 tt -65.09 -32.92 74.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.478 ' O ' ' CG ' ' A' ' 28' ' ' ASN . 13.3 t-20 -119.83 10.18 11.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.49 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.807 0.337 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.4 m -114.32 -46.02 3.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -46.66 -40.32 12.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.874 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 48.24 25.05 0.77 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.074 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.3 p -74.5 -26.22 19.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.128 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.612 ' CD1' ' O ' ' A' ' 6' ' ' PHE . 2.8 t80 -55.15 -22.96 18.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.0 m -54.62 -39.24 67.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.16 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.439 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -67.73 -45.49 74.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.892 179.892 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.443 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 1.6 m-80 -67.91 -39.18 83.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.559 ' CE1' ' HD2' ' A' ' 14' ' ' ARG . 0.9 OUTLIER -68.62 -47.24 67.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.89 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.519 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.7 OUTLIER -63.44 -44.22 95.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.134 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.519 ' N ' ' CG2' ' A' ' 11' ' ' THR . 0.1 OUTLIER -73.14 -41.14 64.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.62 ' O ' HD12 ' A' ' 13' ' ' LEU . 6.4 tp -65.26 -31.05 72.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.559 ' HD2' ' CE1' ' A' ' 10' ' ' TYR . 3.4 mtp-105 -55.3 -25.81 36.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.875 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.43 ' CD ' ' O ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -70.45 -37.22 74.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.921 179.941 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.403 ' HB2' HD12 ' A' ' 13' ' ' LEU . 12.4 mm100 -66.57 -45.27 79.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.406 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 3.8 ptt? -69.23 -21.4 63.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.17 -35.9 82.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.063 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.451 HG22 ' HE2' ' A' ' 22' ' ' TYR . 2.2 t -69.43 -49.42 60.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.135 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.941 ' HA ' HD22 ' A' ' 23' ' ' LEU . 1.0 OUTLIER -55.41 -31.06 61.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.89 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.508 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 1.2 tmtm? -64.36 -52.82 56.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.719 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -72.98 -50.45 23.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 1.115 HD23 ' N ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -54.6 -34.78 62.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.94 179.927 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 1.115 ' N ' HD23 ' A' ' 23' ' ' LEU . 38.3 t30 -70.15 -32.73 70.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 29' ' ' GLY . 1.9 t -77.27 -34.01 55.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.92 HD13 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -102.14 -54.65 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.147 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.92 ' N ' HD13 ' A' ' 26' ' ' ILE . 6.5 tp -64.22 -26.72 68.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.449 ' O ' ' CG ' ' A' ' 28' ' ' ASN . 12.6 t-20 -126.86 8.97 6.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.499 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.839 0.352 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.5 t -172.12 136.79 0.87 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -133.37 145.04 49.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -44.07 -54.4 5.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.079 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.8 p -69.56 -39.55 78.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.143 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.616 ' CD1' ' O ' ' A' ' 6' ' ' PHE . 2.8 t80 -55.17 -22.94 19.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.0 m -54.47 -39.51 67.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.133 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.433 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.6 OUTLIER -67.65 -45.28 75.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.907 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.429 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 1.6 m-80 -67.9 -39.13 83.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -68.63 -46.6 68.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.893 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.521 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.7 OUTLIER -64.22 -44.12 92.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.158 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.521 ' N ' ' CG2' ' A' ' 11' ' ' THR . 0.6 OUTLIER -73.03 -40.83 64.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.833 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.562 HD13 ' C ' ' A' ' 13' ' ' LEU . 2.9 tm? -63.51 -33.79 76.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.0 mtp85 -57.53 -34.4 69.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.481 ' HG2' ' N ' ' A' ' 16' ' ' GLN . 8.4 pttt -67.31 -37.28 83.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.481 ' N ' ' HG2' ' A' ' 15' ' ' LYS . 14.9 mm100 -56.92 -24.65 53.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 8.3 mtp -64.13 -23.45 67.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.947 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -49.95 -52.86 30.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.506 HG22 ' HE2' ' A' ' 22' ' ' TYR . 2.2 t -70.43 -46.89 68.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.153 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.896 ' HA ' HD22 ' A' ' 23' ' ' LEU . 4.6 ttpp -54.46 -33.6 59.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.4 mmmt -61.78 -52.73 63.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.728 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -73.36 -50.58 21.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 1.105 HD23 ' N ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -54.72 -34.18 62.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 1.105 ' N ' HD23 ' A' ' 23' ' ' LEU . 41.1 t30 -70.31 -32.91 70.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.458 ' O ' ' C ' ' A' ' 29' ' ' GLY . 7.5 t -77.11 -33.59 56.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.931 HD13 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -101.99 -54.87 6.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.119 179.93 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.931 ' N ' HD13 ' A' ' 26' ' ' ILE . 5.9 tp -64.32 -27.64 69.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.466 ' O ' ' CG ' ' A' ' 28' ' ' ASN . 12.7 t-20 -125.8 8.95 7.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.9 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.45 -0.374 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.475 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.6 p . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.838 0.352 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.606 ' O ' ' CD1' ' A' ' 6' ' ' PHE . 2.8 t80 -55.1 -23.02 18.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.856 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.0 m -54.39 -39.46 67.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.163 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.435 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.6 OUTLIER -67.75 -45.31 75.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.431 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 1.6 m-80 -67.97 -39.16 83.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -68.81 -46.6 68.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.953 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.509 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.7 OUTLIER -63.96 -44.39 92.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.125 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.509 ' N ' ' CG2' ' A' ' 11' ' ' THR . 0.4 OUTLIER -72.98 -41.26 64.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.594 ' C ' HD13 ' A' ' 13' ' ' LEU . 2.8 tm? -63.41 -32.64 74.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.94 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.3 mtp85 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 179.954 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.813 0.34 . . . . 0.0 111.105 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.455 HG22 ' HE2' ' A' ' 22' ' ' TYR . 2.4 t -69.76 -47.99 67.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.145 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.934 ' HA ' HD22 ' A' ' 23' ' ' LEU . 12.5 pttt -54.44 -31.96 56.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.888 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.3 tptt -63.66 -52.99 58.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.722 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -72.93 -50.25 24.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 1.11 HD23 ' N ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -56.06 -31.2 62.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.913 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 1.11 ' N ' HD23 ' A' ' 23' ' ' LEU . 12.3 t-20 -70.09 -33.54 72.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.509 ' O ' ' CA ' ' A' ' 29' ' ' GLY . 5.7 t -76.91 -34.64 57.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.83 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.92 HD13 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -97.76 -54.69 6.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.124 179.937 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.92 ' N ' HD13 ' A' ' 26' ' ' ILE . 1.0 OUTLIER -66.08 -34.88 79.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.944 179.893 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.511 ' ND2' ' ND2' ' A' ' 24' ' ' ASN . 4.7 t30 -118.29 10.77 12.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.509 ' CA ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.501 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.876 0.369 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.612 ' O ' ' CD1' ' A' ' 6' ' ' PHE . 2.9 t80 -55.12 -23.05 19.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.0 m -54.43 -39.55 67.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.143 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.422 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.6 OUTLIER -67.74 -44.96 76.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.898 179.907 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -68.05 -39.21 83.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -68.98 -47.38 65.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.512 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.7 OUTLIER -62.46 -44.57 96.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.149 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.512 ' N ' ' CG2' ' A' ' 11' ' ' THR . 2.3 ppt_? -72.97 -34.36 66.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.964 ' O ' HD12 ' A' ' 13' ' ' LEU . 1.3 tp -67.03 -31.12 71.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.7 ptt-85 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 179.979 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.849 0.357 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.56 HG22 ' HE2' ' A' ' 22' ' ' TYR . 2.2 t -68.63 -46.66 79.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.126 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.817 ' HA ' HD22 ' A' ' 23' ' ' LEU . 2.3 ttmm -54.07 -32.0 53.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.4 mmtt -64.03 -52.86 57.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.719 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -72.98 -50.07 25.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 1.025 HD23 ' N ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -53.65 -30.97 45.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 1.025 ' N ' HD23 ' A' ' 23' ' ' LEU . 2.5 m120 -70.03 -33.29 71.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.514 ' O ' ' CA ' ' A' ' 29' ' ' GLY . 1.3 t -76.86 -34.26 57.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.82 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.937 HD13 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -98.74 -54.94 6.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.097 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.937 ' N ' HD13 ' A' ' 26' ' ' ILE . 1.0 OUTLIER -65.56 -32.88 74.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 179.903 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' A' ' 28' ' ' ASN . 4.6 t30 -120.67 10.28 10.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.514 ' CA ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.264 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.47 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.2 p . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.861 0.363 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.626 ' O ' ' CD1' ' A' ' 6' ' ' PHE . 3.0 t80 -55.01 -23.01 17.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.892 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.1 m -54.54 -39.56 67.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.163 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.432 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -67.84 -46.04 72.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.836 179.928 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.404 ' HA ' ' CG ' ' A' ' 12' ' ' ARG . 1.7 m-80 -67.86 -38.39 83.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.572 ' CE1' ' HD2' ' A' ' 14' ' ' ARG . 0.6 OUTLIER -70.05 -44.76 68.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.934 -179.937 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.482 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.7 OUTLIER -66.16 -42.44 88.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.11 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.482 ' N ' ' CG2' ' A' ' 11' ' ' THR . 0.1 OUTLIER -72.83 -32.0 65.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.854 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.475 HD22 ' O ' ' A' ' 13' ' ' LEU . 2.1 tm? -73.42 -37.68 65.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.572 ' HD2' ' CE1' ' A' ' 10' ' ' TYR . 6.2 mtp-105 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.823 0.344 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.468 HG22 ' HE2' ' A' ' 22' ' ' TYR . 2.4 t -69.82 -47.97 66.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.133 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.952 ' HA ' HD22 ' A' ' 23' ' ' LEU . 11.0 ptmt -54.54 -31.93 57.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? -63.65 -53.01 58.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.727 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -72.92 -50.16 25.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.909 -179.911 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 1.09 HD23 ' N ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -56.29 -31.21 63.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.951 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 1.09 ' N ' HD23 ' A' ' 23' ' ' LEU . 13.2 t-20 -70.44 -33.33 71.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 29' ' ' GLY . 1.6 t -76.71 -32.9 58.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.915 HD13 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -100.4 -55.02 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.079 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.915 ' N ' HD13 ' A' ' 26' ' ' ILE . 1.1 tt -65.42 -32.55 74.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.488 ' ND2' ' ND2' ' A' ' 24' ' ' ASN . 4.7 t30 -120.15 10.58 11.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.462 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.3 p . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.852 0.358 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.607 ' O ' ' CD1' ' A' ' 6' ' ' PHE . 2.9 t80 -55.18 -22.96 19.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.0 m -54.53 -39.46 67.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.142 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.422 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.6 OUTLIER -67.75 -44.98 76.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.917 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -67.96 -39.09 83.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -68.93 -47.04 66.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.506 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.7 OUTLIER -63.3 -44.1 95.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.179 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.506 ' N ' ' CG2' ' A' ' 11' ' ' THR . 0.3 OUTLIER -73.02 -38.17 66.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.861 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.417 ' N ' ' HD3' ' A' ' 12' ' ' ARG . 65.5 tp -64.55 -30.55 71.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 15.0 ptt85 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.892 179.93 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.824 0.345 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.502 HG22 ' HE2' ' A' ' 22' ' ' TYR . 2.1 t -69.89 -48.63 62.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.106 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.866 ' HA ' HD22 ' A' ' 23' ' ' LEU . 6.4 ptpt -54.58 -31.63 57.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.891 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.7 tptp -64.13 -52.89 56.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.915 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.728 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -72.93 -50.13 25.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 1.028 HD23 ' N ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -53.66 -30.92 45.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.903 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 1.028 ' N ' HD23 ' A' ' 23' ' ' LEU . 2.5 m120 -69.93 -33.39 72.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.5 ' O ' ' CA ' ' A' ' 29' ' ' GLY . 7.9 t -76.82 -34.65 57.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.818 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.907 HD13 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -98.24 -54.7 6.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.141 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.907 ' N ' HD13 ' A' ' 26' ' ' ILE . 1.0 OUTLIER -65.76 -33.93 77.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.885 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' A' ' 28' ' ' ASN . 4.6 t30 -119.39 10.39 11.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.5 ' CA ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.282 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.459 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.6 p . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.849 0.357 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.636 ' O ' ' CD1' ' A' ' 6' ' ' PHE . 3.1 t80 -58.56 -22.86 57.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.1 m -54.02 -40.75 67.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.158 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.436 ' O ' HG22 ' A' ' 11' ' ' THR . 2.0 m-20 -67.47 -44.11 79.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.434 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 1.0 OUTLIER -68.48 -37.35 80.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.907 -179.926 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.457 ' HB2' ' CZ ' ' A' ' 6' ' ' PHE . 0.6 OUTLIER -71.94 -45.2 61.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.947 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.466 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.6 OUTLIER -61.01 -41.58 96.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.136 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.479 ' HD3' ' N ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -72.57 -29.8 63.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.48 ' CD2' ' O ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -71.84 -32.54 67.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.867 0.365 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.455 HG22 ' HE2' ' A' ' 22' ' ' TYR . 2.4 t -69.95 -47.83 66.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.085 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.916 ' HA ' HD22 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -54.52 -31.86 57.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.414 ' HD2' ' C ' ' A' ' 21' ' ' LYS . 1.0 OUTLIER -63.66 -53.0 58.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.868 179.874 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.73 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -72.96 -50.21 24.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.929 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 1.097 HD23 ' N ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -56.04 -31.29 63.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.908 179.934 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 1.097 ' N ' HD23 ' A' ' 23' ' ' LEU . 13.4 t-20 -70.41 -33.38 71.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.458 ' O ' ' C ' ' A' ' 29' ' ' GLY . 7.0 t -76.9 -33.26 57.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.837 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.916 HD13 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -99.66 -54.93 6.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.128 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.916 ' N ' HD13 ' A' ' 26' ' ' ILE . 1.0 OUTLIER -65.52 -34.25 77.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 179.874 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.484 ' ND2' ' O ' ' A' ' 28' ' ' ASN . 4.7 t30 -118.12 10.85 13.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.488 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 8.4 p . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.846 0.355 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.607 ' O ' ' CD1' ' A' ' 6' ' ' PHE . 2.9 t80 -55.13 -23.0 18.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.0 m -54.43 -39.55 67.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.132 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.419 ' O ' HG22 ' A' ' 11' ' ' THR . 0.7 OUTLIER -67.74 -44.94 76.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -67.96 -39.17 83.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.9 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -68.61 -46.84 68.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.893 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.513 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.7 OUTLIER -63.67 -44.29 94.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.136 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.513 ' N ' ' CG2' ' A' ' 11' ' ' THR . 0.1 OUTLIER -73.03 -38.56 66.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.64 ' C ' HD13 ' A' ' 13' ' ' LEU . 2.5 tm? -60.03 -32.43 70.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.95 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.404 ' CD ' ' O ' ' A' ' 11' ' ' THR . 7.0 ptt180 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.816 0.341 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.592 HG22 ' HE2' ' A' ' 22' ' ' TYR . 2.1 t -69.71 -48.13 66.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.089 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.819 ' HA ' HD22 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -54.07 -31.51 51.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.919 179.918 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.2 tmtt? -64.49 -52.98 55.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.72 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -72.95 -49.63 28.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.911 -179.923 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 1.079 HD23 ' N ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -53.4 -33.42 53.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 1.079 ' N ' HD23 ' A' ' 23' ' ' LEU . 3.5 m120 -70.04 -33.09 71.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.512 ' O ' ' CA ' ' A' ' 29' ' ' GLY . 3.7 t -77.15 -34.54 56.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.82 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.923 HD13 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -100.62 -54.89 6.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.161 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.923 ' N ' HD13 ' A' ' 26' ' ' ILE . 5.8 tp -64.58 -27.55 69.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.499 ' ND2' ' O ' ' A' ' 28' ' ' ASN . 4.2 t30 -126.67 8.97 7.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.512 ' CA ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.479 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.9 p . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.832 0.349 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.611 ' O ' ' CD1' ' A' ' 6' ' ' PHE . 2.8 t80 -55.16 -22.94 18.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.87 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.5 m -54.49 -39.45 67.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.142 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.427 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.8 OUTLIER -67.74 -44.94 76.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.856 179.915 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -67.99 -39.17 83.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -69.0 -47.03 66.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.937 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.523 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.7 OUTLIER -63.15 -44.37 95.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.11 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.523 ' N ' ' CG2' ' A' ' 11' ' ' THR . 0.1 OUTLIER -72.98 -37.31 67.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.91 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.755 ' C ' HD13 ' A' ' 13' ' ' LEU . 1.9 tm? -63.49 -32.56 74.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.93 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.9 ptt85 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 179.904 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 120.866 0.365 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.62 HG22 ' HE2' ' A' ' 22' ' ' TYR . 2.1 t -60.05 -47.23 92.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.172 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.834 ' HA ' HD22 ' A' ' 23' ' ' LEU . 0.8 OUTLIER -54.0 -31.5 51.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 179.909 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.439 ' N ' ' HG2' ' A' ' 20' ' ' LYS . 3.2 tmmm? -64.38 -53.09 54.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.907 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.731 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -72.89 -49.65 28.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 1.051 HD23 ' N ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -53.3 -33.55 53.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.916 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 1.051 ' N ' HD23 ' A' ' 23' ' ' LEU . 3.6 m120 -70.31 -33.08 71.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.455 ' O ' ' C ' ' A' ' 29' ' ' GLY . 3.0 t -77.21 -33.35 56.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.86 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.934 HD13 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -102.06 -54.89 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.102 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.934 ' N ' HD13 ' A' ' 26' ' ' ILE . 5.9 tp -64.42 -27.65 69.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.489 ' ND2' ' O ' ' A' ' 28' ' ' ASN . 4.2 t30 -125.82 9.11 7.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.856 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.471 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.827 0.346 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.61 ' O ' ' CD1' ' A' ' 6' ' ' PHE . 2.9 t80 -55.09 -23.17 19.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.0 m -54.75 -39.55 68.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.18 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.423 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.9 OUTLIER -67.62 -45.18 76.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 179.902 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.431 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 1.7 m-80 -67.92 -38.93 83.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -68.08 -45.56 73.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.493 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.6 OUTLIER -65.91 -42.58 89.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.178 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.493 ' N ' ' CG2' ' A' ' 11' ' ' THR . 0.1 OUTLIER -74.84 -34.95 62.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.506 HD22 ' O ' ' A' ' 13' ' ' LEU . 1.9 tm? -73.57 -42.47 61.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.438 ' HG2' ' O ' ' A' ' 11' ' ' THR . 3.4 ptm180 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.812 0.339 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.452 HG22 ' HE2' ' A' ' 22' ' ' TYR . 2.4 t -69.85 -47.83 67.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.139 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.904 ' HA ' HD22 ' A' ' 23' ' ' LEU . 9.4 ptmt -54.39 -31.96 56.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.69 -52.99 58.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.727 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -72.99 -50.21 24.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 1.106 HD23 ' N ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -56.03 -31.2 62.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.906 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 1.106 ' N ' HD23 ' A' ' 23' ' ' LEU . 14.5 t-20 -70.36 -33.42 71.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.921 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.459 ' O ' ' C ' ' A' ' 29' ' ' GLY . 8.0 t -76.88 -33.31 57.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.834 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.91 HD13 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -99.65 -54.82 6.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.127 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.91 ' N ' HD13 ' A' ' 26' ' ' ILE . 1.0 OUTLIER -65.7 -34.12 77.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.943 179.851 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.481 ' ND2' ' O ' ' A' ' 28' ' ' ASN . 4.8 t30 -118.26 10.9 12.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.459 ' C ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.519 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.3 p . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.884 0.373 . . . . 0.0 111.157 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.615 ' O ' ' CD1' ' A' ' 6' ' ' PHE . 2.9 t80 -55.08 -23.04 18.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.0 m -54.63 -39.36 67.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.138 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.435 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -67.73 -45.32 75.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 179.925 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.442 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 1.6 m-80 -67.89 -39.17 83.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -68.12 -46.82 69.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.506 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.7 OUTLIER -64.47 -44.11 92.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.141 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.506 ' N ' ' CG2' ' A' ' 11' ' ' THR . 0.1 OUTLIER -73.03 -40.39 65.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.608 ' C ' HD13 ' A' ' 13' ' ' LEU . 2.7 tm? -63.84 -34.17 77.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.2 mtp180 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.813 179.982 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.818 0.342 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.507 HG22 ' HE2' ' A' ' 22' ' ' TYR . 2.3 t -69.66 -48.01 67.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.147 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.914 ' HA ' HD22 ' A' ' 23' ' ' LEU . 7.0 pttp -54.18 -31.84 53.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.93 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.66 -53.15 55.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.731 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -73.05 -50.54 22.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 1.107 HD23 ' N ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -54.02 -35.22 61.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.939 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 1.107 ' N ' HD23 ' A' ' 23' ' ' LEU . 11.5 t-20 -69.93 -32.91 71.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.513 ' O ' ' CA ' ' A' ' 29' ' ' GLY . 4.9 t -77.2 -34.93 56.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.872 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.923 HD13 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -100.78 -54.71 6.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.134 179.926 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.923 ' N ' HD13 ' A' ' 26' ' ' ILE . 6.3 tp -64.39 -26.72 68.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.931 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.501 ' ND2' ' O ' ' A' ' 28' ' ' ASN . 4.1 t30 -127.54 8.85 6.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.922 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.513 ' CA ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.486 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.7 p . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.85 0.357 . . . . 0.0 111.098 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.632 ' O ' ' CD1' ' A' ' 6' ' ' PHE . 3.1 t80 -57.9 -22.78 50.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.2 m -54.1 -40.73 67.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.143 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.437 ' O ' HG22 ' A' ' 11' ' ' THR . 1.5 m-20 -67.5 -44.06 79.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.835 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.421 ' O ' ' HB2' ' A' ' 13' ' ' LEU . 1.2 m-80 -68.53 -37.33 79.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.474 ' HB2' ' CZ ' ' A' ' 6' ' ' PHE . 0.6 OUTLIER -71.95 -45.44 61.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.858 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.473 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.6 OUTLIER -60.66 -41.6 95.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.121 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.474 ' HD3' ' N ' ' A' ' 13' ' ' LEU . 0.4 OUTLIER -72.65 -29.46 63.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.83 -179.908 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.49 ' CD2' ' O ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -72.77 -32.18 65.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.7 ptt180 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.904 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.843 0.354 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.555 HG22 ' HE2' ' A' ' 22' ' ' TYR . 2.2 t -69.75 -47.9 67.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.106 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.865 ' HA ' HD22 ' A' ' 23' ' ' LEU . 31.6 pttt -54.12 -31.7 53.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.7 tmtt? -64.14 -52.93 56.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.724 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -73.01 -49.93 26.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.94 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 1.043 HD23 ' N ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -53.74 -30.92 46.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.867 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 1.043 ' N ' HD23 ' A' ' 23' ' ' LEU . 2.6 m120 -70.26 -33.17 71.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.884 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 29' ' ' GLY . 7.9 t -76.76 -33.1 58.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.827 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.92 HD13 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -100.42 -55.05 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.132 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.92 ' N ' HD13 ' A' ' 26' ' ' ILE . 1.1 tt -65.15 -32.06 73.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.488 ' ND2' ' O ' ' A' ' 28' ' ' ASN . 4.6 t30 -120.74 10.55 10.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.45 -0.376 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.5 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.858 0.361 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.606 ' O ' ' CD1' ' A' ' 6' ' ' PHE . 2.8 t80 -55.15 -22.88 18.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.4 m -54.54 -39.48 67.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.096 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.424 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.6 OUTLIER -67.65 -45.31 75.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.848 179.928 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.406 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 1.6 m-80 -67.91 -39.02 83.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -68.78 -46.36 68.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.934 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.511 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.7 OUTLIER -64.42 -43.75 93.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.18 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.511 ' N ' ' CG2' ' A' ' 11' ' ' THR . 0.0 OUTLIER -72.96 -40.34 65.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.521 ' C ' HD13 ' A' ' 13' ' ' LEU . 2.6 tm? -64.6 -33.38 75.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.902 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.9 mtp180 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 179.92 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.818 0.342 . . . . 0.0 111.073 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.549 HG22 ' HE2' ' A' ' 22' ' ' TYR . 2.2 t -69.78 -48.15 66.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.176 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.827 ' HA ' HD22 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -53.9 -31.14 48.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.867 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.7 tppt? -65.31 -52.95 50.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.728 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -72.87 -49.85 27.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 1.012 HD23 ' N ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -53.13 -31.15 40.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.952 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 1.012 ' N ' HD23 ' A' ' 23' ' ' LEU . 2.1 m120 -70.77 -33.44 70.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.2 t -76.94 -31.33 56.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.998 HD13 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -102.07 -55.59 5.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.173 179.926 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.998 ' N ' HD13 ' A' ' 26' ' ' ILE . 1.1 tt -64.67 -33.14 75.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.974 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.502 ' O ' ' CG ' ' A' ' 28' ' ' ASN . 5.2 t30 -118.07 13.46 13.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 28' ' ' ASN . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.482 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 5.6 p . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.854 0.359 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.607 ' O ' ' CD1' ' A' ' 6' ' ' PHE . 2.8 t80 -55.16 -23.04 19.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.0 m -54.53 -39.47 67.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.156 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.418 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.5 OUTLIER -67.71 -45.02 76.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 179.868 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.407 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 1.6 m-80 -67.9 -39.19 83.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -68.44 -46.91 68.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.507 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.7 OUTLIER -63.72 -44.35 93.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.193 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.507 ' N ' ' CG2' ' A' ' 11' ' ' THR . 0.7 OUTLIER -72.94 -38.88 66.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.549 ' C ' HD13 ' A' ' 13' ' ' LEU . 2.4 tm? -61.58 -32.47 72.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.952 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.2 ptt180 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.856 179.95 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.904 0.383 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.548 HG22 ' HE2' ' A' ' 22' ' ' TYR . 2.1 t -69.74 -49.49 57.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.131 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.827 ' HA ' HD22 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -54.84 -30.81 58.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.871 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.501 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 16.9 mmtt -65.19 -52.77 52.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.732 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -72.93 -49.5 29.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.909 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 1.073 HD23 ' N ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -53.49 -33.77 55.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 1.073 ' N ' HD23 ' A' ' 23' ' ' LEU . 3.5 m120 -70.02 -33.14 71.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.498 ' O ' ' CA ' ' A' ' 29' ' ' GLY . 2.5 t -77.12 -34.52 56.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.913 HD13 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -100.57 -54.9 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.136 179.932 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.913 ' N ' HD13 ' A' ' 26' ' ' ILE . 5.8 tp -64.57 -27.7 69.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.499 ' ND2' ' O ' ' A' ' 28' ' ' ASN . 4.2 t30 -126.45 8.92 7.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.498 ' CA ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.498 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.0 p . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.923 0.392 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.613 ' O ' ' CD1' ' A' ' 6' ' ' PHE . 2.8 t80 -55.1 -22.99 18.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.9 m -54.55 -39.47 67.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.102 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.433 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -67.74 -45.36 75.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 179.931 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.474 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.9 OUTLIER -67.82 -39.14 83.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.845 -179.884 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.646 ' CZ ' ' NE ' ' A' ' 14' ' ' ARG . 0.8 OUTLIER -68.22 -45.81 72.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 -179.898 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.519 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.6 OUTLIER -65.76 -44.5 85.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.144 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.519 ' N ' ' CG2' ' A' ' 11' ' ' THR . 0.0 OUTLIER -73.02 -37.81 66.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.633 ' C ' HD13 ' A' ' 13' ' ' LEU . 2.8 tm? -67.45 -32.54 73.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.646 ' NE ' ' CZ ' ' A' ' 10' ' ' TYR . 28.0 mtm180 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.855 0.36 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.54 HG22 ' HE2' ' A' ' 22' ' ' TYR . 2.3 t -64.29 -46.94 91.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.107 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.848 ' HA ' HD22 ' A' ' 23' ' ' LEU . 2.8 ptmt -54.0 -31.86 52.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.927 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.464 ' N ' ' HG2' ' A' ' 20' ' ' LYS . 2.7 mmmp? -63.79 -53.22 54.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.858 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.726 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -72.94 -50.53 22.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.933 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 1.084 HD23 ' N ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -53.84 -32.96 54.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 1.084 ' N ' HD23 ' A' ' 23' ' ' LEU . 15.2 t-20 -72.17 -33.08 67.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.6 t -77.72 -24.6 49.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 1.013 HD13 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -112.21 -55.72 4.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.122 179.915 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 1.013 ' N ' HD13 ' A' ' 26' ' ' ILE . 6.1 tp -63.34 -28.23 69.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.896 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.461 ' O ' ' CG ' ' A' ' 28' ' ' ASN . 4.3 t30 -119.47 8.46 11.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.872 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.506 179.966 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.874 0.368 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.622 ' O ' ' CD1' ' A' ' 6' ' ' PHE . 2.9 t80 -55.18 -22.86 19.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.1 m -54.18 -39.85 66.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.129 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.43 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.4 OUTLIER -67.68 -45.02 76.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.943 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.412 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 1.1 m-80 -67.85 -38.29 82.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -71.28 -47.63 55.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.477 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.7 OUTLIER -61.49 -42.41 98.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.101 -179.935 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.477 ' N ' ' CG2' ' A' ' 11' ' ' THR . 0.1 OUTLIER -73.06 -38.22 66.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.406 ' N ' ' HD3' ' A' ' 12' ' ' ARG . 5.8 tp -73.41 -31.23 63.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.923 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.421 ' HG3' ' O ' ' A' ' 11' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.876 0.37 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.549 HG22 ' HE2' ' A' ' 22' ' ' TYR . 2.2 t -69.71 -47.95 67.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.86 ' HA ' HD22 ' A' ' 23' ' ' LEU . 6.6 pttm -54.12 -31.68 52.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.8 tmtt? -64.19 -52.94 56.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.731 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -72.96 -50.03 25.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 1.033 HD23 ' N ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -53.62 -30.97 45.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.913 179.944 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 1.033 ' N ' HD23 ' A' ' 23' ' ' LEU . 2.6 m120 -70.17 -33.25 71.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.458 ' O ' ' C ' ' A' ' 29' ' ' GLY . 7.4 t -76.83 -33.43 57.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.933 HD13 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -99.84 -54.95 6.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.149 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.933 ' N ' HD13 ' A' ' 26' ' ' ILE . 1.1 tt -65.35 -33.53 76.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' A' ' 28' ' ' ASN . 4.7 t30 -119.02 10.99 12.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.467 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.6 p . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.845 0.355 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.627 ' O ' ' CD1' ' A' ' 6' ' ' PHE . 3.1 t80 -58.11 -22.69 51.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.1 m -53.89 -40.55 66.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.098 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.436 ' O ' HG22 ' A' ' 11' ' ' THR . 0.5 OUTLIER -67.59 -43.84 79.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.846 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.428 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 1.2 m-80 -68.76 -37.49 79.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.879 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.433 ' HB2' ' CZ ' ' A' ' 6' ' ' PHE . 0.6 OUTLIER -71.72 -45.45 61.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.973 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.508 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.6 OUTLIER -60.82 -43.87 97.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.201 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.508 ' N ' ' CG2' ' A' ' 11' ' ' THR . 0.2 OUTLIER -69.21 -34.58 75.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.483 ' CD2' ' O ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -67.83 -32.46 73.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.84 179.976 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.844 0.354 . . . . 0.0 111.066 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.516 HG22 ' HE2' ' A' ' 22' ' ' TYR . 2.3 t -69.57 -47.6 70.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.916 ' HA ' HD22 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -54.02 -31.9 52.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 179.899 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.426 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 33.7 tptt -63.58 -53.24 54.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.727 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -73.06 -50.46 22.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.914 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 1.087 HD23 ' N ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -54.08 -35.12 61.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.951 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 1.087 ' N ' HD23 ' A' ' 23' ' ' LEU . 12.9 t-20 -69.99 -32.91 71.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.507 ' O ' ' CA ' ' A' ' 29' ' ' GLY . 4.7 t -77.18 -34.84 56.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.846 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.923 HD13 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -100.91 -54.7 6.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.12 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.923 ' N ' HD13 ' A' ' 26' ' ' ILE . 6.1 tp -64.37 -26.73 68.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.95 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' A' ' 28' ' ' ASN . 4.1 t30 -127.59 8.87 6.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.507 ' CA ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.543 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.459 ' O ' ' CG ' ' A' ' 8' ' ' ASP . 3.8 p . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.878 0.37 . . . . 0.0 111.129 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.602 ' O ' ' CD1' ' A' ' 6' ' ' PHE . 2.8 t80 -69.26 -22.33 63.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.0 m -54.74 -41.25 70.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.155 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.497 ' OD1' ' N ' ' A' ' 9' ' ' ASN . 1.8 p30 -67.45 -44.26 79.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.497 ' N ' ' OD1' ' A' ' 8' ' ' ASP . 0.9 OUTLIER -67.75 -39.01 84.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -69.4 -46.31 67.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.928 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.504 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.7 OUTLIER -64.25 -43.69 94.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.117 -179.938 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.504 ' N ' ' CG2' ' A' ' 11' ' ' THR . 0.0 OUTLIER -72.92 -41.37 64.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.542 ' C ' HD13 ' A' ' 13' ' ' LEU . 3.1 tm? -63.89 -32.97 74.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.4 mtp180 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 179.941 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.861 0.362 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.526 HG22 ' HE2' ' A' ' 22' ' ' TYR . 2.2 t -69.69 -47.92 68.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.116 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.931 ' HA ' HD22 ' A' ' 23' ' ' LEU . 11.3 pttp -54.18 -31.87 53.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.1 tmmm? -63.58 -53.18 55.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.722 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -73.04 -50.56 22.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 -179.931 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 1.115 HD23 ' N ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -53.83 -35.38 61.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.972 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 1.115 ' N ' HD23 ' A' ' 23' ' ' LEU . 12.7 t-20 -69.95 -32.91 71.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.873 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.51 ' O ' ' CA ' ' A' ' 29' ' ' GLY . 16.8 t -77.16 -34.77 56.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.94 HD13 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -100.99 -54.71 6.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.105 179.933 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.94 ' N ' HD13 ' A' ' 26' ' ' ILE . 6.0 tp -64.33 -26.58 68.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.949 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 28' ' ' ASN . 4.1 t30 -127.75 8.69 6.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.51 ' CA ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.458 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.1 p . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.843 0.354 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.624 ' O ' ' CD1' ' A' ' 6' ' ' PHE . 2.9 t80 -55.13 -22.92 18.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.1 m -54.27 -39.77 67.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.43 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.8 OUTLIER -67.74 -45.29 75.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.834 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -67.84 -38.22 82.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -70.87 -45.58 64.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.472 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.7 OUTLIER -64.68 -41.47 96.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.121 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.472 ' N ' ' CG2' ' A' ' 11' ' ' THR . 0.1 OUTLIER -73.78 -35.88 65.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.875 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.475 HD22 ' O ' ' A' ' 13' ' ' LEU . 1.9 tm? -73.62 -39.97 64.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.426 ' HG3' ' O ' ' A' ' 11' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.793 0.33 . . . . 0.0 111.084 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.467 HG22 ' HE2' ' A' ' 22' ' ' TYR . 2.2 t -69.71 -49.41 58.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.109 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.881 ' HA ' HD22 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -55.21 -31.13 61.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.862 179.917 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.512 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 1.9 tmmm? -64.38 -52.85 56.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.867 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.723 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -73.01 -50.44 23.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.925 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 1.103 HD23 ' N ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -54.22 -35.02 61.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.904 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 1.103 ' N ' HD23 ' A' ' 23' ' ' LEU . 12.0 t-20 -70.21 -32.72 70.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.865 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 29' ' ' GLY . 7.3 t -77.3 -33.99 55.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.934 HD13 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -101.93 -54.75 6.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.171 179.918 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.934 ' N ' HD13 ' A' ' 26' ' ' ILE . 7.7 tp -64.16 -27.07 68.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 28' ' ' ASN . 4.2 t30 -126.54 9.25 7.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.459 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.3 p . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.838 0.352 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.624 ' O ' ' CD1' ' A' ' 6' ' ' PHE . 2.8 t80 -55.17 -23.05 19.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.0 m -54.59 -39.36 67.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.17 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.435 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -67.56 -45.5 75.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.873 179.901 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.409 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 1.7 m-80 -67.99 -39.17 83.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.51 ' CE1' ' HD2' ' A' ' 14' ' ' ARG . 0.8 OUTLIER -69.27 -46.79 66.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 -179.918 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.509 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.7 OUTLIER -63.49 -44.17 95.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.136 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.509 ' N ' ' CG2' ' A' ' 11' ' ' THR . 0.5 OUTLIER -72.98 -38.94 66.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.856 HD13 ' O ' ' A' ' 13' ' ' LEU . 2.9 tm? -66.63 -32.53 73.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.51 ' HD2' ' CE1' ' A' ' 10' ' ' TYR . 14.6 mtp180 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.833 0.349 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.507 HG22 ' HE2' ' A' ' 22' ' ' TYR . 2.1 t -69.54 -49.66 57.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.115 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.827 ' HA ' HD22 ' A' ' 23' ' ' LEU . 7.4 pttp -55.08 -30.89 60.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.511 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 9.7 tppt? -64.98 -52.75 54.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.849 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.716 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -72.94 -49.83 27.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.918 -179.914 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 1.03 HD23 ' N ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -53.82 -30.98 47.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 1.03 ' N ' HD23 ' A' ' 23' ' ' LEU . 2.5 m120 -70.32 -33.2 71.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 29' ' ' GLY . 8.4 t -76.62 -33.12 58.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.929 HD13 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -100.36 -55.0 6.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.158 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.929 ' N ' HD13 ' A' ' 26' ' ' ILE . 1.1 tt -65.09 -32.92 74.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.484 ' ND2' ' O ' ' A' ' 28' ' ' ASN . 4.6 t30 -119.83 10.18 11.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.49 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.3 p . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.9 0.381 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.612 ' O ' ' CD1' ' A' ' 6' ' ' PHE . 2.8 t80 -55.15 -22.96 18.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.0 m -54.62 -39.24 67.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.16 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.439 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -67.73 -45.49 74.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.892 179.892 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.443 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 1.6 m-80 -67.91 -39.18 83.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.559 ' CE1' ' HD2' ' A' ' 14' ' ' ARG . 0.9 OUTLIER -68.62 -47.24 67.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.89 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.519 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.7 OUTLIER -63.44 -44.22 95.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.134 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.519 ' N ' ' CG2' ' A' ' 11' ' ' THR . 0.1 OUTLIER -73.14 -41.14 64.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.62 ' O ' HD12 ' A' ' 13' ' ' LEU . 6.4 tp -65.26 -31.05 72.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.559 ' HD2' ' CE1' ' A' ' 10' ' ' TYR . 3.4 mtp-105 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.875 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.82 0.343 . . . . 0.0 111.063 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.451 HG22 ' HE2' ' A' ' 22' ' ' TYR . 2.2 t -69.43 -49.42 60.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.135 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.941 ' HA ' HD22 ' A' ' 23' ' ' LEU . 1.0 OUTLIER -55.41 -31.06 61.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.89 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.508 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 1.2 tmtm? -64.36 -52.82 56.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.719 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -72.98 -50.45 23.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 1.115 HD23 ' N ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -54.6 -34.78 62.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.94 179.927 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 1.115 ' N ' HD23 ' A' ' 23' ' ' LEU . 11.5 t-20 -70.15 -32.73 70.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 29' ' ' GLY . 1.9 t -77.27 -34.01 55.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.92 HD13 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -102.14 -54.65 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.147 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.92 ' N ' HD13 ' A' ' 26' ' ' ILE . 6.5 tp -64.22 -26.72 68.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.502 ' ND2' ' O ' ' A' ' 28' ' ' ASN . 4.1 t30 -126.86 8.97 6.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.499 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.8 p . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.832 0.349 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.616 ' O ' ' CD1' ' A' ' 6' ' ' PHE . 2.8 t80 -55.17 -22.94 19.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.0 m -54.47 -39.51 67.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.133 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.433 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.6 OUTLIER -67.65 -45.28 75.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.907 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.429 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 1.6 m-80 -67.9 -39.13 83.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -68.63 -46.6 68.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.893 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.521 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.7 OUTLIER -64.22 -44.12 92.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.158 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.521 ' N ' ' CG2' ' A' ' 11' ' ' THR . 0.6 OUTLIER -73.03 -40.83 64.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.833 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.562 ' C ' HD13 ' A' ' 13' ' ' LEU . 2.9 tm? -63.51 -33.79 76.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.0 mtp85 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.935 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.796 0.331 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.506 HG22 ' HE2' ' A' ' 22' ' ' TYR . 2.2 t -70.43 -46.89 68.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.153 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.896 ' HA ' HD22 ' A' ' 23' ' ' LEU . 4.6 ttpp -54.46 -33.6 59.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.4 mmmt -61.78 -52.73 63.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.728 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -73.36 -50.58 21.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 1.105 HD23 ' N ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -54.72 -34.18 62.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 1.105 ' N ' HD23 ' A' ' 23' ' ' LEU . 12.4 t-20 -70.31 -32.91 70.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.458 ' O ' ' C ' ' A' ' 29' ' ' GLY . 7.5 t -77.11 -33.59 56.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.931 HD13 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -101.99 -54.87 6.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.119 179.93 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.931 ' N ' HD13 ' A' ' 26' ' ' ILE . 5.9 tp -64.32 -27.64 69.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' A' ' 28' ' ' ASN . 4.2 t30 -125.8 8.95 7.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.9 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.45 -0.374 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.475 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 9.5 m80 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.834 0.349 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.5 p -70.9 -49.82 41.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.5 p30 -121.99 164.93 16.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 62.74 24.98 14.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.154 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.6 p -68.19 -23.83 29.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.153 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.606 ' O ' ' CD1' ' A' ' 6' ' ' PHE . 2.8 t80 -55.1 -23.02 18.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.856 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.0 m -54.39 -39.46 67.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.163 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.435 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.6 OUTLIER -67.75 -45.31 75.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.431 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 1.6 m-80 -67.97 -39.16 83.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -68.81 -46.6 68.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.953 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.509 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.7 OUTLIER -63.96 -44.39 92.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.125 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.509 ' N ' ' CG2' ' A' ' 11' ' ' THR . 0.4 OUTLIER -72.98 -41.26 64.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.594 ' C ' HD13 ' A' ' 13' ' ' LEU . 2.8 tm? -63.41 -32.64 74.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.94 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.3 mtp85 -57.46 -32.23 66.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.442 ' HG2' ' N ' ' A' ' 16' ' ' GLN . 11.8 pttt -69.12 -37.39 78.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.442 ' N ' ' HG2' ' A' ' 15' ' ' LYS . 5.1 mm-40 -62.39 -35.89 80.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.6 mmt -54.24 -33.07 57.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.81 -49.54 72.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.105 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.455 HG22 ' HE2' ' A' ' 22' ' ' TYR . 2.4 t -69.76 -47.99 67.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.145 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.934 ' HA ' HD22 ' A' ' 23' ' ' LEU . 12.5 pttt -54.44 -31.96 56.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.888 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.3 tptt -63.66 -52.99 58.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.722 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -72.93 -50.25 24.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 1.11 HD23 ' N ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -56.06 -31.2 62.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.913 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 1.11 ' N ' HD23 ' A' ' 23' ' ' LEU . 12.3 t-20 -70.09 -33.54 72.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.509 ' O ' ' CA ' ' A' ' 29' ' ' GLY . 5.7 t -76.91 -34.64 57.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.83 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.92 HD13 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -97.76 -54.69 6.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.124 179.937 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.92 ' N ' HD13 ' A' ' 26' ' ' ILE . 1.0 OUTLIER -66.08 -34.88 79.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.944 179.893 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.511 ' ND2' ' ND2' ' A' ' 24' ' ' ASN . 4.7 t30 -118.29 10.77 12.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.509 ' CA ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.501 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 40.5 m80 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.803 0.335 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.1 m -107.45 144.08 34.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.904 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -145.3 171.32 14.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -104.37 -50.71 3.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.089 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.1 p -59.71 -35.04 57.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.612 ' O ' ' CD1' ' A' ' 6' ' ' PHE . 2.9 t80 -55.12 -23.05 19.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.0 m -54.43 -39.55 67.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.143 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.422 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.6 OUTLIER -67.74 -44.96 76.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.898 179.907 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -68.05 -39.21 83.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -68.98 -47.38 65.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.512 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.7 OUTLIER -62.46 -44.57 96.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.149 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.512 ' N ' ' CG2' ' A' ' 11' ' ' THR . 2.3 ppt_? -72.97 -34.36 66.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.964 ' O ' HD12 ' A' ' 13' ' ' LEU . 1.3 tp -67.03 -31.12 71.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.7 ptt-85 -55.35 -22.59 19.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.451 ' CD ' ' O ' ' A' ' 12' ' ' ARG . 7.1 ptmt -70.28 -37.05 74.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.443 ' HA ' ' NE2' ' A' ' 16' ' ' GLN . 6.4 mm-40 -67.25 -44.23 79.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -78.42 -17.62 56.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.05 -51.84 39.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.15 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.56 HG22 ' HE2' ' A' ' 22' ' ' TYR . 2.2 t -68.63 -46.66 79.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.126 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.817 ' HA ' HD22 ' A' ' 23' ' ' LEU . 2.3 ttmm -54.07 -32.0 53.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.4 mmtt -64.03 -52.86 57.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.719 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -72.98 -50.07 25.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 1.025 HD23 ' N ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -53.65 -30.97 45.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 1.025 ' N ' HD23 ' A' ' 23' ' ' LEU . 2.5 m120 -70.03 -33.29 71.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.514 ' O ' ' CA ' ' A' ' 29' ' ' GLY . 1.3 t -76.86 -34.26 57.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.82 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.937 HD13 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -98.74 -54.94 6.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.097 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.937 ' N ' HD13 ' A' ' 26' ' ' ILE . 1.0 OUTLIER -65.56 -32.88 74.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 179.903 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' A' ' 28' ' ' ASN . 4.6 t30 -120.67 10.28 10.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.514 ' CA ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.264 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.47 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 31.3 m80 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.817 0.341 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.7 p -57.13 140.26 49.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -103.35 -49.02 3.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.859 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -173.69 105.61 0.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.2 p -88.34 -40.99 13.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.626 ' O ' ' CD1' ' A' ' 6' ' ' PHE . 3.0 t80 -55.01 -23.01 17.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.892 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.1 m -54.54 -39.56 67.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.163 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.432 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -67.84 -46.04 72.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.836 179.928 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.404 ' HA ' ' CG ' ' A' ' 12' ' ' ARG . 1.7 m-80 -67.86 -38.39 83.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.572 ' CE1' ' HD2' ' A' ' 14' ' ' ARG . 0.6 OUTLIER -70.05 -44.76 68.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.934 -179.937 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.482 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.7 OUTLIER -66.16 -42.44 88.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.11 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.499 ' O ' ' CG ' ' A' ' 15' ' ' LYS . 0.1 OUTLIER -72.83 -32.0 65.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.854 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.475 HD22 ' O ' ' A' ' 13' ' ' LEU . 2.1 tm? -73.42 -37.68 65.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.572 ' HD2' ' CE1' ' A' ' 10' ' ' TYR . 6.2 mtp-105 -56.67 -44.1 81.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.499 ' CG ' ' O ' ' A' ' 12' ' ' ARG . 2.9 ptmm? -65.57 -36.83 84.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.469 ' HA ' ' NE2' ' A' ' 16' ' ' GLN . 7.6 mm-40 -56.22 -26.61 51.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.481 ' HA ' ' CD ' ' A' ' 20' ' ' LYS . 18.3 mmm -55.27 -32.71 62.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.66 -52.03 62.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.093 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.468 HG22 ' HE2' ' A' ' 22' ' ' TYR . 2.4 t -69.82 -47.97 66.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.133 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.952 ' HA ' HD22 ' A' ' 23' ' ' LEU . 11.0 ptmt -54.54 -31.93 57.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? -63.65 -53.01 58.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.727 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -72.92 -50.16 25.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.909 -179.911 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 1.09 HD23 ' N ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -56.29 -31.21 63.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.951 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 1.09 ' N ' HD23 ' A' ' 23' ' ' LEU . 13.2 t-20 -70.44 -33.33 71.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 29' ' ' GLY . 1.6 t -76.71 -32.9 58.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.915 HD13 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -100.4 -55.02 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.079 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.915 ' N ' HD13 ' A' ' 26' ' ' ILE . 1.1 tt -65.42 -32.55 74.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.488 ' ND2' ' ND2' ' A' ' 24' ' ' ASN . 4.7 t30 -120.15 10.58 11.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.462 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 10.2 m170 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.823 0.344 . . . . 0.0 110.821 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.2 t -122.29 91.96 3.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.873 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -136.01 135.98 39.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.853 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.66 -42.25 61.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.101 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.3 p -63.17 -35.61 72.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.108 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.607 ' O ' ' CD1' ' A' ' 6' ' ' PHE . 2.9 t80 -55.18 -22.96 19.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.0 m -54.53 -39.46 67.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.142 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.422 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.6 OUTLIER -67.75 -44.98 76.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.917 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -67.96 -39.09 83.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -68.93 -47.04 66.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.506 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.7 OUTLIER -63.3 -44.1 95.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.179 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.506 ' N ' ' CG2' ' A' ' 11' ' ' THR . 0.3 OUTLIER -73.02 -38.17 66.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.861 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.417 ' N ' ' HD3' ' A' ' 12' ' ' ARG . 65.5 tp -64.55 -30.55 71.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 15.0 ptt85 -54.68 -23.38 17.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.892 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.3 pttp -70.48 -36.66 73.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.445 ' HA ' ' NE2' ' A' ' 16' ' ' GLN . 9.6 mm-40 -56.2 -29.49 60.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.445 ' HA ' ' CE ' ' A' ' 20' ' ' LYS . 6.4 mtt -61.73 -17.61 56.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.71 -47.08 82.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.112 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.502 HG22 ' HE2' ' A' ' 22' ' ' TYR . 2.1 t -69.89 -48.63 62.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.106 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.866 ' HA ' HD22 ' A' ' 23' ' ' LEU . 6.4 ptpt -54.58 -31.63 57.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.891 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.7 tptp -64.13 -52.89 56.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.915 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.728 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -72.93 -50.13 25.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 1.028 HD23 ' N ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -53.66 -30.92 45.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.903 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 1.028 ' N ' HD23 ' A' ' 23' ' ' LEU . 2.5 m120 -69.93 -33.39 72.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.5 ' O ' ' CA ' ' A' ' 29' ' ' GLY . 7.9 t -76.82 -34.65 57.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.818 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.907 HD13 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -98.24 -54.7 6.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.141 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.907 ' N ' HD13 ' A' ' 26' ' ' ILE . 1.0 OUTLIER -65.76 -33.93 77.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.885 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' A' ' 28' ' ' ASN . 4.6 t30 -119.39 10.39 11.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.5 ' CA ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.282 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.459 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 1.7 p80 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.835 0.35 . . . . 0.0 110.822 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.8 t 63.83 39.53 8.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.67 111.29 22.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.834 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 65.04 25.05 12.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.124 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.6 p -64.46 -31.69 54.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.102 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.636 ' O ' ' CD1' ' A' ' 6' ' ' PHE . 3.1 t80 -58.56 -22.86 57.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.1 m -54.02 -40.75 67.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.158 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.436 ' O ' HG22 ' A' ' 11' ' ' THR . 2.0 m-20 -67.47 -44.11 79.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.434 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 1.0 OUTLIER -68.48 -37.35 80.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.907 -179.926 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.457 ' HB2' ' CZ ' ' A' ' 6' ' ' PHE . 0.6 OUTLIER -71.94 -45.2 61.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.947 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.466 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.6 OUTLIER -61.01 -41.58 96.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.136 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.479 ' HD3' ' N ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -72.57 -29.8 63.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.48 ' CD2' ' O ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -71.84 -32.54 67.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.97 -24.97 57.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.1 pttt -69.88 -37.25 75.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.418 ' HA ' ' NE2' ' A' ' 16' ' ' GLN . 8.5 mm-40 -56.24 -36.46 68.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.921 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.466 ' HA ' ' CD ' ' A' ' 20' ' ' LYS . 8.8 mmt -56.18 -24.82 43.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.67 -51.99 62.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.455 HG22 ' HE2' ' A' ' 22' ' ' TYR . 2.4 t -69.95 -47.83 66.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.085 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.916 ' HA ' HD22 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -54.52 -31.86 57.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.414 ' HD2' ' C ' ' A' ' 21' ' ' LYS . 1.0 OUTLIER -63.66 -53.0 58.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.868 179.874 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.73 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -72.96 -50.21 24.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.929 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 1.097 HD23 ' N ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -56.04 -31.29 63.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.908 179.934 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 1.097 ' N ' HD23 ' A' ' 23' ' ' LEU . 13.4 t-20 -70.41 -33.38 71.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.458 ' O ' ' C ' ' A' ' 29' ' ' GLY . 7.0 t -76.9 -33.26 57.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.837 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.916 HD13 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -99.66 -54.93 6.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.128 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.916 ' N ' HD13 ' A' ' 26' ' ' ILE . 1.0 OUTLIER -65.52 -34.25 77.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 179.874 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.484 ' ND2' ' O ' ' A' ' 28' ' ' ASN . 4.7 t30 -118.12 10.85 13.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.488 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.812 0.339 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -105.79 -61.44 1.5 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -101.59 177.75 4.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.852 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -95.54 24.34 5.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 8.4 p -58.79 -34.73 52.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.097 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.607 ' O ' ' CD1' ' A' ' 6' ' ' PHE . 2.9 t80 -55.13 -23.0 18.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.0 m -54.43 -39.55 67.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.132 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.419 ' O ' HG22 ' A' ' 11' ' ' THR . 0.7 OUTLIER -67.74 -44.94 76.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -67.96 -39.17 83.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.9 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -68.61 -46.84 68.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.893 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.513 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.7 OUTLIER -63.67 -44.29 94.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.136 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.513 ' N ' ' CG2' ' A' ' 11' ' ' THR . 0.1 OUTLIER -73.03 -38.56 66.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.64 ' C ' HD13 ' A' ' 13' ' ' LEU . 2.5 tm? -60.03 -32.43 70.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.95 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.404 ' CD ' ' O ' ' A' ' 11' ' ' THR . 7.0 ptt180 -57.24 -26.34 60.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.411 ' HG2' ' N ' ' A' ' 16' ' ' GLN . 4.6 ptmt -69.91 -37.31 75.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.411 ' N ' ' HG2' ' A' ' 15' ' ' LYS . 4.3 mm-40 -66.31 -30.39 70.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 34.5 mtt -55.91 -18.92 10.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.73 -50.04 70.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.126 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.592 HG22 ' HE2' ' A' ' 22' ' ' TYR . 2.1 t -69.71 -48.13 66.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.089 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.819 ' HA ' HD22 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -54.07 -31.51 51.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.919 179.918 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.2 tmtt? -64.49 -52.98 55.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.72 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -72.95 -49.63 28.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.911 -179.923 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 1.079 HD23 ' N ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -53.4 -33.42 53.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 1.079 ' N ' HD23 ' A' ' 23' ' ' LEU . 3.5 m120 -70.04 -33.09 71.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.512 ' O ' ' CA ' ' A' ' 29' ' ' GLY . 3.7 t -77.15 -34.54 56.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.82 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.923 HD13 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -100.62 -54.89 6.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.161 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.923 ' N ' HD13 ' A' ' 26' ' ' ILE . 5.8 tp -64.58 -27.55 69.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.499 ' ND2' ' O ' ' A' ' 28' ' ' ASN . 4.2 t30 -126.67 8.97 7.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.512 ' CA ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.479 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 46.3 m80 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.775 0.321 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m 62.07 31.77 17.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.835 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.533 ' O ' ' HB3' ' A' ' 4' ' ' ALA . 4.8 t70 -111.07 9.65 22.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.533 ' HB3' ' O ' ' A' ' 3' ' ' ASP . . . 73.34 25.01 2.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.096 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.9 p -67.83 -28.91 43.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.611 ' O ' ' CD1' ' A' ' 6' ' ' PHE . 2.8 t80 -55.16 -22.94 18.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.87 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.5 m -54.49 -39.45 67.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.142 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.427 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.8 OUTLIER -67.74 -44.94 76.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.856 179.915 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -67.99 -39.17 83.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -69.0 -47.03 66.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.937 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.523 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.7 OUTLIER -63.15 -44.37 95.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.11 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.523 ' N ' ' CG2' ' A' ' 11' ' ' THR . 0.1 OUTLIER -72.98 -37.31 67.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.91 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.755 ' C ' HD13 ' A' ' 13' ' ' LEU . 1.9 tm? -63.49 -32.56 74.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.93 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.9 ptt85 -57.49 -28.53 63.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.451 ' HG2' ' N ' ' A' ' 16' ' ' GLN . 7.4 pttt -69.36 -37.35 77.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.451 ' N ' ' HG2' ' A' ' 15' ' ' LYS . 8.4 mm-40 -58.55 -24.82 61.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 18.7 mtt -60.35 -32.74 71.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.2 -36.78 32.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.159 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.62 HG22 ' HE2' ' A' ' 22' ' ' TYR . 2.1 t -60.05 -47.23 92.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.172 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.834 ' HA ' HD22 ' A' ' 23' ' ' LEU . 0.8 OUTLIER -54.0 -31.5 51.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 179.909 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.439 ' N ' ' HG2' ' A' ' 20' ' ' LYS . 3.2 tmmm? -64.38 -53.09 54.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.907 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.731 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -72.89 -49.65 28.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 1.051 HD23 ' N ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -53.3 -33.55 53.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.916 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 1.051 ' N ' HD23 ' A' ' 23' ' ' LEU . 3.6 m120 -70.31 -33.08 71.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.455 ' O ' ' C ' ' A' ' 29' ' ' GLY . 3.0 t -77.21 -33.35 56.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.86 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.934 HD13 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -102.06 -54.89 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.102 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.934 ' N ' HD13 ' A' ' 26' ' ' ILE . 5.9 tp -64.42 -27.65 69.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.489 ' ND2' ' O ' ' A' ' 28' ' ' ASN . 4.2 t30 -125.82 9.11 7.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.856 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.471 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 6.3 m170 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.821 0.343 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.5 t -97.81 159.48 14.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -154.43 146.19 23.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.843 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.24 -29.0 63.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.086 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.5 p -73.47 -28.99 26.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.103 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.61 ' O ' ' CD1' ' A' ' 6' ' ' PHE . 2.9 t80 -55.09 -23.17 19.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.0 m -54.75 -39.55 68.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.18 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.423 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.9 OUTLIER -67.62 -45.18 76.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 179.902 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.431 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 1.7 m-80 -67.92 -38.93 83.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -68.08 -45.56 73.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.493 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.6 OUTLIER -65.91 -42.58 89.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.178 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.493 ' N ' ' CG2' ' A' ' 11' ' ' THR . 0.1 OUTLIER -74.84 -34.95 62.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.506 HD22 ' O ' ' A' ' 13' ' ' LEU . 1.9 tm? -73.57 -42.47 61.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.466 ' HG3' ' N ' ' A' ' 15' ' ' LYS . 3.4 ptm180 -55.53 -28.42 54.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.483 ' HG2' ' N ' ' A' ' 16' ' ' GLN . 5.9 pttp -70.5 -36.53 73.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.868 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.483 ' N ' ' HG2' ' A' ' 15' ' ' LYS . 6.7 mm-40 -56.01 -32.12 63.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.464 ' HA ' ' CD ' ' A' ' 20' ' ' LYS . 3.9 mtt -54.23 -24.79 19.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.69 -52.12 62.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.06 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.452 HG22 ' HE2' ' A' ' 22' ' ' TYR . 2.4 t -69.85 -47.83 67.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.139 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.904 ' HA ' HD22 ' A' ' 23' ' ' LEU . 9.4 ptmt -54.39 -31.96 56.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.69 -52.99 58.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.727 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -72.99 -50.21 24.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 1.106 HD23 ' N ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -56.03 -31.2 62.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.906 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 1.106 ' N ' HD23 ' A' ' 23' ' ' LEU . 14.5 t-20 -70.36 -33.42 71.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.921 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.459 ' O ' ' C ' ' A' ' 29' ' ' GLY . 8.0 t -76.88 -33.31 57.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.834 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.91 HD13 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -99.65 -54.82 6.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.127 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.91 ' N ' HD13 ' A' ' 26' ' ' ILE . 1.0 OUTLIER -65.7 -34.12 77.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.943 179.851 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.481 ' ND2' ' O ' ' A' ' 28' ' ' ASN . 4.8 t30 -118.26 10.9 12.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.459 ' C ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.519 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . 0.428 ' O ' ' CG ' ' A' ' 1' ' ' HIS . 46.1 p-80 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.807 0.337 . . . . 0.0 110.851 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m 62.37 33.01 16.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -85.5 164.23 17.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.843 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -113.24 -39.29 4.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.3 p -60.5 -33.43 54.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.157 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.615 ' O ' ' CD1' ' A' ' 6' ' ' PHE . 2.9 t80 -55.08 -23.04 18.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.0 m -54.63 -39.36 67.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.138 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.435 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -67.73 -45.32 75.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 179.925 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.442 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 1.6 m-80 -67.89 -39.17 83.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -68.12 -46.82 69.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.506 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.7 OUTLIER -64.47 -44.11 92.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.141 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.506 ' N ' ' CG2' ' A' ' 11' ' ' THR . 0.1 OUTLIER -73.03 -40.39 65.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.608 ' C ' HD13 ' A' ' 13' ' ' LEU . 2.7 tm? -63.84 -34.17 77.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.2 mtp180 -57.5 -31.49 66.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.813 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.481 ' HG2' ' N ' ' A' ' 16' ' ' GLN . 8.3 pttt -69.72 -37.35 76.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.481 ' N ' ' HG2' ' A' ' 15' ' ' LYS . 8.4 mm-40 -56.99 -25.72 58.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 16.3 mtt -63.87 -21.35 66.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.7 -50.57 68.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.099 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.507 HG22 ' HE2' ' A' ' 22' ' ' TYR . 2.3 t -69.66 -48.01 67.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.147 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.914 ' HA ' HD22 ' A' ' 23' ' ' LEU . 7.0 pttp -54.18 -31.84 53.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.93 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.66 -53.15 55.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.731 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -73.05 -50.54 22.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 1.107 HD23 ' N ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -54.02 -35.22 61.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.939 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 1.107 ' N ' HD23 ' A' ' 23' ' ' LEU . 11.5 t-20 -69.93 -32.91 71.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.513 ' O ' ' CA ' ' A' ' 29' ' ' GLY . 4.9 t -77.2 -34.93 56.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.872 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.923 HD13 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -100.78 -54.71 6.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.134 179.926 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.923 ' N ' HD13 ' A' ' 26' ' ' ILE . 6.3 tp -64.39 -26.72 68.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.931 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.501 ' ND2' ' O ' ' A' ' 28' ' ' ASN . 4.1 t30 -127.54 8.85 6.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.922 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.513 ' CA ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.486 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 66.2 m80 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.804 0.335 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.1 m -94.89 85.8 4.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -69.2 176.01 3.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.849 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -77.39 -54.45 6.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.107 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.7 p -71.91 -32.92 46.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.098 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.632 ' O ' ' CD1' ' A' ' 6' ' ' PHE . 3.1 t80 -57.9 -22.78 50.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.2 m -54.1 -40.73 67.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.143 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.437 ' O ' HG22 ' A' ' 11' ' ' THR . 1.5 m-20 -67.5 -44.06 79.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.835 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.421 ' O ' ' HB2' ' A' ' 13' ' ' LEU . 1.2 m-80 -68.53 -37.33 79.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.474 ' HB2' ' CZ ' ' A' ' 6' ' ' PHE . 0.6 OUTLIER -71.95 -45.44 61.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.858 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.473 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.6 OUTLIER -60.66 -41.6 95.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.121 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.474 ' HD3' ' N ' ' A' ' 13' ' ' LEU . 0.4 OUTLIER -72.65 -29.46 63.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.83 -179.908 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.49 ' CD2' ' O ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -72.77 -32.18 65.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.7 ptt180 -56.64 -24.9 51.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.431 ' HG2' ' N ' ' A' ' 16' ' ' GLN . 14.2 pttt -70.02 -37.14 75.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.443 ' HA ' ' NE2' ' A' ' 16' ' ' GLN . 3.6 mm-40 -59.56 -47.15 86.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 22.2 ptp -70.69 -23.51 62.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.75 -51.84 63.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.109 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.555 HG22 ' HE2' ' A' ' 22' ' ' TYR . 2.2 t -69.75 -47.9 67.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.106 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.865 ' HA ' HD22 ' A' ' 23' ' ' LEU . 31.6 pttt -54.12 -31.7 53.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.7 tmtt? -64.14 -52.93 56.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.724 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -73.01 -49.93 26.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.94 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 1.043 HD23 ' N ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -53.74 -30.92 46.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.867 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 1.043 ' N ' HD23 ' A' ' 23' ' ' LEU . 2.6 m120 -70.26 -33.17 71.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.884 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 29' ' ' GLY . 7.9 t -76.76 -33.1 58.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.827 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.92 HD13 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -100.42 -55.05 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.132 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.92 ' N ' HD13 ' A' ' 26' ' ' ILE . 1.1 tt -65.15 -32.06 73.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.488 ' ND2' ' O ' ' A' ' 28' ' ' ASN . 4.6 t30 -120.74 10.55 10.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.45 -0.376 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.5 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.82 0.343 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 t -125.2 -64.51 1.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.845 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -83.99 155.31 22.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.861 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -93.64 18.02 10.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.095 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.4 p -60.05 -26.59 36.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.606 ' O ' ' CD1' ' A' ' 6' ' ' PHE . 2.8 t80 -55.15 -22.88 18.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.4 m -54.54 -39.48 67.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.096 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.424 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.6 OUTLIER -67.65 -45.31 75.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.848 179.928 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.406 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 1.6 m-80 -67.91 -39.02 83.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -68.78 -46.36 68.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.934 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.511 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.7 OUTLIER -64.42 -43.75 93.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.18 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.511 ' N ' ' CG2' ' A' ' 11' ' ' THR . 0.0 OUTLIER -72.96 -40.34 65.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.521 ' C ' HD13 ' A' ' 13' ' ' LEU . 2.6 tm? -64.6 -33.38 75.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.902 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.9 mtp180 -57.7 -36.57 72.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.486 ' HG2' ' N ' ' A' ' 16' ' ' GLN . 11.7 pttt -66.68 -37.14 84.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.486 ' N ' ' HG2' ' A' ' 15' ' ' LYS . 9.1 mm-40 -56.73 -26.21 56.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.932 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.404 ' O ' ' HG3' ' A' ' 20' ' ' LYS . 19.8 mtt -54.98 -17.73 4.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.85 -49.99 70.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.073 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.549 HG22 ' HE2' ' A' ' 22' ' ' TYR . 2.2 t -69.78 -48.15 66.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.176 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.827 ' HA ' HD22 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -53.9 -31.14 48.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.867 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.7 tppt? -65.31 -52.95 50.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.728 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -72.87 -49.85 27.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 1.012 HD23 ' N ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -53.13 -31.15 40.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.952 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 1.012 ' N ' HD23 ' A' ' 23' ' ' LEU . 2.1 m120 -70.77 -33.44 70.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.2 t -76.94 -31.33 56.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.998 HD13 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -102.07 -55.59 5.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.173 179.926 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.998 ' N ' HD13 ' A' ' 26' ' ' ILE . 1.1 tt -64.67 -33.14 75.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.974 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.502 ' O ' ' CG ' ' A' ' 28' ' ' ASN . 5.2 t30 -118.07 13.46 13.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 28' ' ' ASN . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.482 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 9.0 m170 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.765 0.317 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 t -41.38 -60.32 1.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.848 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -168.82 -179.51 3.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.849 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -89.37 -43.18 11.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 5.6 p -60.36 -35.2 61.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.138 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.607 ' O ' ' CD1' ' A' ' 6' ' ' PHE . 2.8 t80 -55.16 -23.04 19.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.0 m -54.53 -39.47 67.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.156 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.418 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.5 OUTLIER -67.71 -45.02 76.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 179.868 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.407 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 1.6 m-80 -67.9 -39.19 83.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -68.44 -46.91 68.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.507 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.7 OUTLIER -63.72 -44.35 93.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.193 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.507 ' N ' ' CG2' ' A' ' 11' ' ' THR . 0.7 OUTLIER -72.94 -38.88 66.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.549 ' C ' HD13 ' A' ' 13' ' ' LEU . 2.4 tm? -61.58 -32.47 72.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.952 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.2 ptt180 -57.27 -24.06 52.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.856 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.4 ptmt -69.93 -37.25 75.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -68.91 -27.47 65.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.428 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 33.8 mtp -61.19 -17.48 53.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.86 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.03 -36.13 83.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.128 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.548 HG22 ' HE2' ' A' ' 22' ' ' TYR . 2.1 t -69.74 -49.49 57.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.131 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.827 ' HA ' HD22 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -54.84 -30.81 58.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.871 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.501 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 16.9 mmtt -65.19 -52.77 52.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.732 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -72.93 -49.5 29.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.909 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 1.073 HD23 ' N ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -53.49 -33.77 55.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 1.073 ' N ' HD23 ' A' ' 23' ' ' LEU . 3.5 m120 -70.02 -33.14 71.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.498 ' O ' ' CA ' ' A' ' 29' ' ' GLY . 2.5 t -77.12 -34.52 56.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.913 HD13 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -100.57 -54.9 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.136 179.932 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.913 ' N ' HD13 ' A' ' 26' ' ' ILE . 5.8 tp -64.57 -27.7 69.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.499 ' ND2' ' O ' ' A' ' 28' ' ' ASN . 4.2 t30 -126.45 8.92 7.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.498 ' CA ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.498 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.83 0.347 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.8 m -101.74 32.47 3.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -101.69 -53.83 2.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.88 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -174.72 105.88 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.088 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.0 p -94.36 -33.41 5.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.188 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.613 ' O ' ' CD1' ' A' ' 6' ' ' PHE . 2.8 t80 -55.1 -22.99 18.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.9 m -54.55 -39.47 67.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.102 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.433 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -67.74 -45.36 75.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 179.931 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.474 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.9 OUTLIER -67.82 -39.14 83.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.845 -179.884 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.646 ' CZ ' ' NE ' ' A' ' 14' ' ' ARG . 0.8 OUTLIER -68.22 -45.81 72.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 -179.898 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.519 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.6 OUTLIER -65.76 -44.5 85.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.144 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.519 ' N ' ' CG2' ' A' ' 11' ' ' THR . 0.0 OUTLIER -73.02 -37.81 66.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.633 ' C ' HD13 ' A' ' 13' ' ' LEU . 2.8 tm? -67.45 -32.54 73.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.646 ' NE ' ' CZ ' ' A' ' 10' ' ' TYR . 28.0 mtm180 -57.42 -35.85 70.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.47 ' HG2' ' N ' ' A' ' 16' ' ' GLN . 7.9 pttt -67.43 -37.57 83.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.47 ' N ' ' HG2' ' A' ' 15' ' ' LYS . 8.5 mm-40 -60.13 -39.49 86.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.961 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 65.8 mtm -54.95 -31.79 60.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.07 -36.42 29.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.54 HG22 ' HE2' ' A' ' 22' ' ' TYR . 2.3 t -64.29 -46.94 91.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.107 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.848 ' HA ' HD22 ' A' ' 23' ' ' LEU . 2.8 ptmt -54.0 -31.86 52.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.927 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.464 ' N ' ' HG2' ' A' ' 20' ' ' LYS . 2.7 mmmp? -63.79 -53.22 54.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.858 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.726 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -72.94 -50.53 22.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.933 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 1.084 HD23 ' N ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -53.84 -32.96 54.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 1.084 ' N ' HD23 ' A' ' 23' ' ' LEU . 15.2 t-20 -72.17 -33.08 67.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.6 t -77.72 -24.6 49.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 1.013 HD13 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -112.21 -55.72 4.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.122 179.915 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 1.013 ' N ' HD13 ' A' ' 26' ' ' ILE . 6.1 tp -63.34 -28.23 69.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.896 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.461 ' O ' ' CG ' ' A' ' 28' ' ' ASN . 4.3 t30 -119.47 8.46 11.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.872 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.506 179.966 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 40.5 p-80 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.798 0.333 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 t -60.49 168.4 2.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -146.1 140.85 27.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.839 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -47.16 -42.98 20.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.083 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.2 p -74.89 -36.7 39.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.109 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.622 ' O ' ' CD1' ' A' ' 6' ' ' PHE . 2.9 t80 -55.18 -22.86 19.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.1 m -54.18 -39.85 66.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.129 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.43 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.4 OUTLIER -67.68 -45.02 76.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.943 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.412 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 1.1 m-80 -67.85 -38.29 82.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -71.28 -47.63 55.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.477 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.7 OUTLIER -61.49 -42.41 98.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.101 -179.935 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.477 ' N ' ' CG2' ' A' ' 11' ' ' THR . 0.1 OUTLIER -73.06 -38.22 66.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.406 ' N ' ' HD3' ' A' ' 12' ' ' ARG . 5.8 tp -73.41 -31.23 63.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.923 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.421 ' HG3' ' O ' ' A' ' 11' ' ' THR . 0.1 OUTLIER -55.44 -24.18 29.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.6 ptmt -70.35 -37.05 74.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.405 ' HB2' HD12 ' A' ' 13' ' ' LEU . 6.2 mm-40 -63.23 -28.65 70.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.9 mmt -57.7 -17.65 16.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.76 -50.45 69.01 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.102 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.549 HG22 ' HE2' ' A' ' 22' ' ' TYR . 2.2 t -69.71 -47.95 67.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.86 ' HA ' HD22 ' A' ' 23' ' ' LEU . 6.6 pttm -54.12 -31.68 52.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.8 tmtt? -64.19 -52.94 56.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.731 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -72.96 -50.03 25.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 1.033 HD23 ' N ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -53.62 -30.97 45.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.913 179.944 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 1.033 ' N ' HD23 ' A' ' 23' ' ' LEU . 2.6 m120 -70.17 -33.25 71.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.458 ' O ' ' C ' ' A' ' 29' ' ' GLY . 7.4 t -76.83 -33.43 57.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.933 HD13 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -99.84 -54.95 6.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.149 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.933 ' N ' HD13 ' A' ' 26' ' ' ILE . 1.1 tt -65.35 -33.53 76.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' A' ' 28' ' ' ASN . 4.7 t30 -119.02 10.99 12.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.467 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.814 0.34 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 m -65.5 159.57 24.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -174.17 156.48 2.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.861 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -46.44 -38.53 9.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.071 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.6 p -68.11 -36.38 75.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.075 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.627 ' O ' ' CD1' ' A' ' 6' ' ' PHE . 3.1 t80 -58.11 -22.69 51.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.1 m -53.89 -40.55 66.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.098 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.436 ' O ' HG22 ' A' ' 11' ' ' THR . 0.5 OUTLIER -67.59 -43.84 79.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.846 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.428 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 1.2 m-80 -68.76 -37.49 79.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.879 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.433 ' HB2' ' CZ ' ' A' ' 6' ' ' PHE . 0.6 OUTLIER -71.72 -45.45 61.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.973 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.508 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.6 OUTLIER -60.82 -43.87 97.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.201 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.508 ' N ' ' CG2' ' A' ' 11' ' ' THR . 0.2 OUTLIER -69.21 -34.58 75.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.483 ' CD2' ' O ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -67.83 -32.46 73.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 -56.98 -24.93 57.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.84 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.6 pttp -69.89 -37.3 75.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.466 ' HA ' ' NE2' ' A' ' 16' ' ' GLN . 7.6 mm-40 -57.07 -34.65 68.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.952 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 17.5 mtt -56.57 -29.24 61.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.54 -49.33 73.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.066 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.516 HG22 ' HE2' ' A' ' 22' ' ' TYR . 2.3 t -69.57 -47.6 70.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.916 ' HA ' HD22 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -54.02 -31.9 52.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 179.899 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.426 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 33.7 tptt -63.58 -53.24 54.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.727 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -73.06 -50.46 22.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.914 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 1.087 HD23 ' N ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -54.08 -35.12 61.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.951 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 1.087 ' N ' HD23 ' A' ' 23' ' ' LEU . 12.9 t-20 -69.99 -32.91 71.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.507 ' O ' ' CA ' ' A' ' 29' ' ' GLY . 4.7 t -77.18 -34.84 56.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.846 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.923 HD13 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -100.91 -54.7 6.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.12 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.923 ' N ' HD13 ' A' ' 26' ' ' ILE . 6.1 tp -64.37 -26.73 68.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.95 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' A' ' 28' ' ' ASN . 4.1 t30 -127.59 8.87 6.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.507 ' CA ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.543 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.83 0.348 . . . . 0.0 110.804 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m 38.86 46.84 1.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.87 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -92.39 137.41 32.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.828 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 61.46 25.04 15.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.088 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.459 ' O ' ' CG ' ' A' ' 8' ' ' ASP . 3.8 p -68.17 -19.53 24.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.602 ' O ' ' CD1' ' A' ' 6' ' ' PHE . 2.8 t80 -69.26 -22.33 63.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.0 m -54.74 -41.25 70.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.155 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.497 ' OD1' ' N ' ' A' ' 9' ' ' ASN . 1.8 p30 -67.45 -44.26 79.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.497 ' N ' ' OD1' ' A' ' 8' ' ' ASP . 0.9 OUTLIER -67.75 -39.01 84.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -69.4 -46.31 67.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.928 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.504 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.7 OUTLIER -64.25 -43.69 94.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.117 -179.938 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.504 ' N ' ' CG2' ' A' ' 11' ' ' THR . 0.0 OUTLIER -72.92 -41.37 64.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.542 ' C ' HD13 ' A' ' 13' ' ' LEU . 3.1 tm? -63.89 -32.97 74.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.4 mtp180 -57.47 -35.66 70.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.48 ' HG2' ' N ' ' A' ' 16' ' ' GLN . 2.1 pttp -68.23 -37.26 80.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.48 ' N ' ' HG2' ' A' ' 15' ' ' LYS . 8.0 mm-40 -63.72 -32.16 73.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 33.2 mtp -54.18 -26.44 28.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.831 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.67 -51.33 65.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.124 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.526 HG22 ' HE2' ' A' ' 22' ' ' TYR . 2.2 t -69.69 -47.92 68.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.116 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.931 ' HA ' HD22 ' A' ' 23' ' ' LEU . 11.3 pttp -54.18 -31.87 53.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.1 tmmm? -63.58 -53.18 55.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.722 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -73.04 -50.56 22.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 -179.931 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 1.115 HD23 ' N ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -53.83 -35.38 61.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.972 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 1.115 ' N ' HD23 ' A' ' 23' ' ' LEU . 12.7 t-20 -69.95 -32.91 71.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.873 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.51 ' O ' ' CA ' ' A' ' 29' ' ' GLY . 16.8 t -77.16 -34.77 56.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.94 HD13 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -100.99 -54.71 6.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.105 179.933 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.94 ' N ' HD13 ' A' ' 26' ' ' ILE . 6.0 tp -64.33 -26.58 68.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.949 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 28' ' ' ASN . 4.1 t30 -127.75 8.69 6.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.51 ' CA ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.458 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 13.8 p-80 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.801 0.334 . . . . 0.0 110.831 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.2 t -115.72 -65.31 1.2 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -80.07 172.96 13.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.833 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -130.37 90.11 2.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.112 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.1 p -94.38 -40.71 11.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.145 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.624 ' O ' ' CD1' ' A' ' 6' ' ' PHE . 2.9 t80 -55.13 -22.92 18.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.1 m -54.27 -39.77 67.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.43 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.8 OUTLIER -67.74 -45.29 75.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.834 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -67.84 -38.22 82.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -70.87 -45.58 64.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.472 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.7 OUTLIER -64.68 -41.47 96.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.121 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.472 ' N ' ' CG2' ' A' ' 11' ' ' THR . 0.1 OUTLIER -73.78 -35.88 65.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.875 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.475 HD22 ' O ' ' A' ' 13' ' ' LEU . 1.9 tm? -73.62 -39.97 64.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.426 ' HG3' ' O ' ' A' ' 11' ' ' THR . 0.0 OUTLIER -56.49 -32.05 64.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.495 ' HG2' ' N ' ' A' ' 16' ' ' GLN . 2.5 pttp -70.13 -36.58 74.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.495 ' N ' ' HG2' ' A' ' 15' ' ' LYS . 7.8 mm-40 -56.17 -32.97 64.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.904 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.43 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 30.6 mtp -54.91 -17.45 3.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.09 -36.06 82.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.084 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.467 HG22 ' HE2' ' A' ' 22' ' ' TYR . 2.2 t -69.71 -49.41 58.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.109 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.881 ' HA ' HD22 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -55.21 -31.13 61.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.862 179.917 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.512 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 1.9 tmmm? -64.38 -52.85 56.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.867 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.723 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -73.01 -50.44 23.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.925 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 1.103 HD23 ' N ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -54.22 -35.02 61.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.904 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 1.103 ' N ' HD23 ' A' ' 23' ' ' LEU . 12.0 t-20 -70.21 -32.72 70.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.865 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 29' ' ' GLY . 7.3 t -77.3 -33.99 55.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.934 HD13 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -101.93 -54.75 6.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.171 179.918 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.934 ' N ' HD13 ' A' ' 26' ' ' ILE . 7.7 tp -64.16 -27.07 68.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 28' ' ' ASN . 4.2 t30 -126.54 9.25 7.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.459 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 8.1 t-160 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.807 0.337 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.0 t -42.38 149.6 0.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.904 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -90.65 87.91 6.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -135.04 -67.96 0.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.062 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.3 p -74.73 -32.69 29.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.148 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.624 ' O ' ' CD1' ' A' ' 6' ' ' PHE . 2.8 t80 -55.17 -23.05 19.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.0 m -54.59 -39.36 67.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.17 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.435 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -67.56 -45.5 75.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.873 179.901 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.409 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 1.7 m-80 -67.99 -39.17 83.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.51 ' CE1' ' HD2' ' A' ' 14' ' ' ARG . 0.8 OUTLIER -69.27 -46.79 66.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 -179.918 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.509 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.7 OUTLIER -63.49 -44.17 95.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.136 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.509 ' N ' ' CG2' ' A' ' 11' ' ' THR . 0.5 OUTLIER -72.98 -38.94 66.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.856 HD13 ' O ' ' A' ' 13' ' ' LEU . 2.9 tm? -66.63 -32.53 73.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.51 ' HD2' ' CE1' ' A' ' 10' ' ' TYR . 14.6 mtp180 -57.55 -38.75 75.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.483 ' HG2' ' N ' ' A' ' 16' ' ' GLN . 11.9 pttt -65.75 -37.31 86.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.483 ' N ' ' HG2' ' A' ' 15' ' ' LYS . 14.1 mm-40 -56.53 -31.18 63.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.426 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 7.7 mmt -64.83 -17.4 64.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.14 -35.94 82.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.115 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.507 HG22 ' HE2' ' A' ' 22' ' ' TYR . 2.1 t -69.54 -49.66 57.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.115 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.827 ' HA ' HD22 ' A' ' 23' ' ' LEU . 7.4 pttp -55.08 -30.89 60.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.511 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 9.7 tppt? -64.98 -52.75 54.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.849 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.716 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -72.94 -49.83 27.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.918 -179.914 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 1.03 HD23 ' N ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -53.82 -30.98 47.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 1.03 ' N ' HD23 ' A' ' 23' ' ' LEU . 2.5 m120 -70.32 -33.2 71.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 29' ' ' GLY . 8.4 t -76.62 -33.12 58.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.929 HD13 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -100.36 -55.0 6.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.158 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.929 ' N ' HD13 ' A' ' 26' ' ' ILE . 1.1 tt -65.09 -32.92 74.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.484 ' ND2' ' O ' ' A' ' 28' ' ' ASN . 4.6 t30 -119.83 10.18 11.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.49 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.807 0.337 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.4 m -114.32 -46.02 3.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -46.66 -40.32 12.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.874 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 48.24 25.05 0.77 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.074 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.3 p -74.5 -26.22 19.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.128 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.612 ' O ' ' CD1' ' A' ' 6' ' ' PHE . 2.8 t80 -55.15 -22.96 18.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.0 m -54.62 -39.24 67.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.16 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.439 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -67.73 -45.49 74.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.892 179.892 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.443 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 1.6 m-80 -67.91 -39.18 83.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.559 ' CE1' ' HD2' ' A' ' 14' ' ' ARG . 0.9 OUTLIER -68.62 -47.24 67.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.89 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.519 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.7 OUTLIER -63.44 -44.22 95.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.134 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.519 ' N ' ' CG2' ' A' ' 11' ' ' THR . 0.1 OUTLIER -73.14 -41.14 64.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.62 ' O ' HD12 ' A' ' 13' ' ' LEU . 6.4 tp -65.26 -31.05 72.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.559 ' HD2' ' CE1' ' A' ' 10' ' ' TYR . 3.4 mtp-105 -55.3 -25.81 36.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.875 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.43 ' CD ' ' O ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -70.45 -37.22 74.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.921 179.941 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.437 ' HA ' ' NE2' ' A' ' 16' ' ' GLN . 5.2 mm-40 -66.57 -45.27 79.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.406 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 3.8 ptt? -69.23 -21.4 63.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.17 -35.9 82.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.063 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.451 HG22 ' HE2' ' A' ' 22' ' ' TYR . 2.2 t -69.43 -49.42 60.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.135 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.941 ' HA ' HD22 ' A' ' 23' ' ' LEU . 1.0 OUTLIER -55.41 -31.06 61.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.89 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.508 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 1.2 tmtm? -64.36 -52.82 56.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.719 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -72.98 -50.45 23.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 1.115 HD23 ' N ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -54.6 -34.78 62.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.94 179.927 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 1.115 ' N ' HD23 ' A' ' 23' ' ' LEU . 11.5 t-20 -70.15 -32.73 70.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 29' ' ' GLY . 1.9 t -77.27 -34.01 55.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.92 HD13 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -102.14 -54.65 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.147 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.92 ' N ' HD13 ' A' ' 26' ' ' ILE . 6.5 tp -64.22 -26.72 68.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.502 ' ND2' ' O ' ' A' ' 28' ' ' ASN . 4.1 t30 -126.86 8.97 6.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.499 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.839 0.352 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.5 t -172.12 136.79 0.87 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -133.37 145.04 49.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -44.07 -54.4 5.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.079 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.8 p -69.56 -39.55 78.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.143 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.616 ' O ' ' CD1' ' A' ' 6' ' ' PHE . 2.8 t80 -55.17 -22.94 19.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.0 m -54.47 -39.51 67.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.133 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.433 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.6 OUTLIER -67.65 -45.28 75.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.907 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.429 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 1.6 m-80 -67.9 -39.13 83.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -68.63 -46.6 68.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.893 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.521 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 0.7 OUTLIER -64.22 -44.12 92.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.158 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.521 ' N ' ' CG2' ' A' ' 11' ' ' THR . 0.6 OUTLIER -73.03 -40.83 64.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.833 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.562 ' C ' HD13 ' A' ' 13' ' ' LEU . 2.9 tm? -63.51 -33.79 76.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.0 mtp85 -57.53 -34.4 69.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.481 ' HG2' ' N ' ' A' ' 16' ' ' GLN . 8.4 pttt -67.31 -37.28 83.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.481 ' N ' ' HG2' ' A' ' 15' ' ' LYS . 17.3 mm-40 -56.92 -24.65 53.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 8.3 mtp -64.13 -23.45 67.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.947 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -49.95 -52.86 30.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.506 HG22 ' HE2' ' A' ' 22' ' ' TYR . 2.2 t -70.43 -46.89 68.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.153 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.896 ' HA ' HD22 ' A' ' 23' ' ' LEU . 4.6 ttpp -54.46 -33.6 59.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.4 mmmt -61.78 -52.73 63.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.728 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -73.36 -50.58 21.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 1.105 HD23 ' N ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -54.72 -34.18 62.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 1.105 ' N ' HD23 ' A' ' 23' ' ' LEU . 12.4 t-20 -70.31 -32.91 70.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.458 ' O ' ' C ' ' A' ' 29' ' ' GLY . 7.5 t -77.11 -33.59 56.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.931 HD13 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -101.99 -54.87 6.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.119 179.93 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.931 ' N ' HD13 ' A' ' 26' ' ' ILE . 5.9 tp -64.32 -27.64 69.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' A' ' 28' ' ' ASN . 4.2 t30 -125.8 8.95 7.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.9 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.45 -0.374 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.475 179.969 . . . . . . . . 1 1 . 1 stop_ save_