data_1rso_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 1rso _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.09 -38.56 91.66 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 121.136 0.493 . . . . 0.0 109.692 179.046 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 55.4 mm-40 -74.17 -29.86 61.97 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.023 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -80.03 -29.81 39.4 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.233 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.477 ' CG2' ' CD1' ' A' ' 44' ' ' PHE . 94.9 m -71.21 -42.21 69.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.117 179.571 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.425 ' O ' ' HB2' ' A' ' 16' ' ' HIS . 0.8 OUTLIER -69.51 -46.82 65.64 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.202 179.272 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.442 ' HD2' ' CE1' ' B' ' 112' ' ' PHE . 0.4 OUTLIER -65.91 -25.05 66.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.139 179.193 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.473 ' O ' HD23 ' B' ' 113' ' ' LEU . . . -78.7 -54.71 5.82 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 179.065 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.495 ' CD2' ' HB3' ' A' ' 44' ' ' PHE . 0.4 OUTLIER -65.92 -27.34 68.12 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.681 179.342 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.425 ' HB2' ' O ' ' A' ' 12' ' ' GLN . 4.6 m-70 -73.19 -45.51 55.93 Favored 'General case' 0 CA--C 1.52 -0.191 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 178.626 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.435 HD21 ' CE1' ' A' ' 21' ' ' TYR . 2.7 mt -60.92 -43.78 98.11 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.655 179.082 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.433 ' HB2' ' CD1' ' A' ' 41' ' ' ILE . 23.1 mt -58.94 -42.65 90.28 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.623 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -58.26 -44.02 88.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.195 0.521 . . . . 0.0 110.715 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -72.57 -31.6 65.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.035 179.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.644 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 10.7 m-30 -67.51 -47.68 69.27 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.521 179.757 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -60.19 -43.64 95.74 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 120.894 0.378 . . . . 0.0 110.612 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.6 t -57.37 -40.37 78.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.399 179.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.7 ptmt -96.9 3.9 51.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.566 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.644 ' HB2' ' O ' ' A' ' 21' ' ' TYR . 0.1 OUTLIER -92.36 -66.87 0.89 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.88 0.371 . . . . 0.0 111.181 -179.852 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.445 ' HB3' ' HB2' ' A' ' 34' ' ' ARG . 2.9 p -60.45 -157.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.875 -179.483 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.422 ' OE1' ' NH1' ' A' ' 31' ' ' ARG . 1.8 mp0 59.72 25.4 14.38 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 120.822 0.344 . . . . 0.0 110.674 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.543 ' CG2' ' H ' ' A' ' 29' ' ' GLU . 3.5 t -147.87 -63.75 0.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.388 -179.568 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.543 ' H ' ' CG2' ' A' ' 28' ' ' THR . 12.6 pt-20 -170.4 27.87 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.607 -179.213 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.493 ' HB2' HD22 ' A' ' 25' ' ' LEU . 3.8 m-20 -146.73 53.11 1.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.035 0.445 . . . . 0.0 110.816 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.422 ' NH1' ' OE1' ' A' ' 27' ' ' GLN . 13.9 mmm180 -64.64 -47.77 77.28 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.214 0.53 . . . . 0.0 109.871 179.628 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.7 tp60 -58.23 -45.03 88.45 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.594 178.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.419 HD13 ' CB ' ' B' ' 95' ' ' SER . 8.1 tp -57.02 -34.07 67.81 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.823 178.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.445 ' HB2' ' HB3' ' A' ' 26' ' ' SER . 5.6 ttp180 -60.6 -43.0 97.91 Favored 'General case' 0 CA--C 1.518 -0.278 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 178.696 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.23 -38.27 79.59 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.407 179.08 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.483 ' HB2' ' NE2' ' B' ' 91' ' ' GLN . 27.8 p -62.07 -51.46 67.85 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.174 0.511 . . . . 0.0 110.431 179.474 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.555 ' O ' HG12 ' A' ' 41' ' ' ILE . 37.8 mt -55.85 -42.88 72.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.273 179.399 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.37 -43.51 79.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.835 179.645 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.46 ' CB ' ' HB3' ' B' ' 88' ' ' ALA . 9.8 mtt180 -55.7 -49.07 74.0 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-O 121.261 0.553 . . . . 0.0 109.927 179.346 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.553 ' O ' ' HB2' ' A' ' 44' ' ' PHE . 21.6 t -60.18 -33.81 54.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.662 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.555 HG12 ' O ' ' A' ' 37' ' ' ILE . 13.0 mm -70.06 -55.38 14.95 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.719 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.1 p -60.86 -49.28 78.11 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-O 120.922 0.391 . . . . 0.0 110.809 -179.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.435 HD12 HG21 ' A' ' 43' ' ' ILE . 11.1 mt -59.97 -32.28 49.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.079 179.358 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.553 ' HB2' ' O ' ' A' ' 40' ' ' VAL . 0.2 OUTLIER -72.51 -57.17 4.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.139 179.767 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.44 ' HG2' ' O ' ' A' ' 41' ' ' ILE . 4.7 pt20 -79.43 1.13 26.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.227 -178.229 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.451 ' CB ' ' CE1' ' B' ' 129' ' ' TYR . 0.1 OUTLIER -53.49 137.71 35.5 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.939 0.399 . . . . 0.0 110.78 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -56.36 -32.46 64.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.489 -179.552 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.46 ' CD2' ' HB ' ' B' ' 132' ' ' ILE . 0.4 OUTLIER -79.73 -46.61 16.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.756 0.312 . . . . 0.0 111.09 -179.725 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.465 ' CZ ' HD23 ' B' ' 126' ' ' LEU . 41.9 t80 -51.26 -53.5 34.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.598 -179.597 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -54.28 -40.86 68.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.821 0.344 . . . . 0.0 111.049 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.48 -45.1 89.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.057 0.456 . . . . 0.0 110.648 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.446 ' CD1' ' N ' ' B' ' 129' ' ' TYR . 5.6 mt -61.94 -44.72 96.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.307 179.479 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.437 HD11 HG21 ' A' ' 53' ' ' ILE . 23.0 mt -51.46 -39.49 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.976 178.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -65.58 -39.53 91.74 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.104 179.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.406 ' O ' ' HB2' ' A' ' 59' ' ' TYR . 4.9 mm -52.65 -40.85 35.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.842 179.502 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -50.28 -22.45 1.79 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.946 -179.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.421 ' O ' ' CG ' ' A' ' 58' ' ' PHE . 0.6 OUTLIER -44.66 -48.77 10.58 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.512 0.196 . . . . 0.0 111.525 -179.63 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.421 ' CG ' ' O ' ' A' ' 57' ' ' GLU . 66.0 m-85 -156.24 44.57 0.42 Allowed 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.949 0.404 . . . . 0.0 111.637 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.451 ' CE1' ' CD1' ' C' ' 63' ' ' LEU . 42.4 m-85 -139.68 67.35 1.38 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.642 179.388 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -53.72 93.21 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.976 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.488 HG22 HG22 ' B' ' 124' ' ' THR . 0.0 OUTLIER -78.21 96.87 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.868 0.366 . . . . 0.0 111.101 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 11.7 m -78.12 120.09 22.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.394 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.469 ' CD1' ' CE2' ' C' ' 59' ' ' TYR . 0.8 OUTLIER -92.38 135.43 34.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.04 -179.876 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.504 ' CD2' ' N ' ' A' ' 64' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.078 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . 0.549 ' O ' ' CD1' ' B' ' 82' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.451 -0.381 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . 0.665 ' O ' ' HB3' ' B' ' 87' ' ' ARG . 0.0 OUTLIER -69.97 -55.49 9.49 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.046 -179.816 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . 0.569 ' N ' ' CD2' ' B' ' 83' ' ' LEU . . . -64.34 -29.36 70.44 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.066 -0.515 . . . . 0.0 112.028 -178.094 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 85' ' ' ALA . . . . . 0.494 ' CB ' ' HB3' ' B' ' 126' ' ' LEU . . . -53.69 -24.67 15.31 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.914 0.388 . . . . 0.0 110.674 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -124.2 -45.29 1.98 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.011 -0.541 . . . . 0.0 109.788 178.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 87' ' ' ARG . . . . . 0.665 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 6.1 ttt-85 -57.69 -52.97 63.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.031 178.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . 0.608 ' HA ' ' NE2' ' B' ' 91' ' ' GLN . . . -56.47 -43.83 79.98 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.32 -0.854 . . . . 0.0 111.193 -179.722 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 89' ' ' VAL . . . . . 0.485 ' CG1' ' HB3' ' B' ' 117' ' ' PHE . 21.5 t -59.25 -35.24 56.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.073 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 3.7 t -76.06 -29.66 58.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.813 -179.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 91' ' ' GLN . . . . . 0.608 ' NE2' ' HA ' ' B' ' 88' ' ' ALA . 11.7 mt-30 -66.45 -55.21 16.78 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-O 121.395 0.617 . . . . 0.0 109.511 179.597 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 92' ' ' VAL . . . . . 0.507 HG23 ' HA ' ' A' ' 37' ' ' ILE . 3.3 t -65.72 -28.31 43.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.278 179.246 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 93' ' ' LEU . . . . . 0.626 HD23 ' HA ' ' B' ' 114' ' ' HIS . 2.7 mt -67.09 -32.92 74.4 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.009 179.6 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -86.73 -39.49 15.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.762 0.315 . . . . 0.0 111.313 -179.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 95' ' ' SER . . . . . 0.419 ' CB ' HD13 ' A' ' 33' ' ' LEU . 0.8 OUTLIER -79.86 -17.88 52.11 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -179.293 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . 0.443 HD11 ' CD2' ' B' ' 114' ' ' HIS . 0.2 OUTLIER -39.47 -52.33 2.12 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -179.366 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 97' ' ' GLU . . . . . 0.402 ' HA ' ' CD1' ' B' ' 110' ' ' LEU . 70.4 mt-10 -68.33 -28.86 67.51 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.3 -179.466 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.19 -34.4 72.89 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 177.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 99' ' ' ILE . . . . . 0.521 ' O ' HG22 ' B' ' 103' ' ' THR . 62.1 mt -62.97 -49.97 81.48 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.822 0 CA-C-N 114.57 -1.195 . . . . 0.0 109.653 178.52 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 100' ' ' HIS . . . . . 0.489 ' HB2' ' CD1' ' B' ' 110' ' ' LEU . 2.2 t-160 -54.9 -34.39 63.04 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 178.08 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -56.21 -46.6 79.41 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 114.311 -1.313 . . . . 0.0 111.946 179.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 102' ' ' LEU . . . . . 0.54 HD11 HD21 ' A' ' 25' ' ' LEU . 0.4 OUTLIER -117.43 30.28 7.39 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.516 -0.765 . . . . 0.0 112.72 -177.591 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 103' ' ' THR . . . . . 0.521 HG22 ' O ' ' B' ' 99' ' ' ILE . 44.3 p -145.02 -31.12 0.42 Allowed 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 111.694 0.257 . . . . 0.0 111.694 179.707 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 3.0 t0 74.85 24.56 1.57 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.058 0.456 . . . . 0.0 110.511 -179.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 105' ' ' SER . . . . . 0.448 ' HB3' ' CZ ' ' A' ' 21' ' ' TYR . 4.0 m -62.31 -14.67 41.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.305 179.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 106' ' ' SER . . . . . 0.423 ' CB ' ' O ' ' B' ' 105' ' ' SER . 4.0 t 80.96 121.82 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.945 0.402 . . . . 0.0 110.968 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -54.15 -29.0 43.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.984 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 22.1 mmtm -56.72 -54.14 49.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.066 0.46 . . . . 0.0 110.354 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.03 -37.61 85.57 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.958 179.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 110' ' ' LEU . . . . . 0.489 ' CD1' ' HB2' ' B' ' 100' ' ' HIS . 31.2 mt -61.83 -42.47 99.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.267 179.297 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -60.18 -43.27 96.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.573 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 112' ' ' PHE . . . . . 0.442 ' CE1' ' HD2' ' A' ' 13' ' ' ARG . 0.4 OUTLIER -58.84 -42.61 89.69 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.374 179.635 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 113' ' ' LEU . . . . . 0.473 HD23 ' O ' ' A' ' 14' ' ' ALA . 0.5 OUTLIER -72.18 -33.61 67.8 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.793 -179.864 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 114' ' ' HIS . . . . . 0.626 ' HA ' HD23 ' B' ' 93' ' ' LEU . 36.2 m170 -58.09 -35.9 72.09 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 178.1 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 115' ' ' SER . . . . . 0.4 ' HA ' ' HB2' ' B' ' 118' ' ' GLN . 46.5 t -73.2 -40.13 65.01 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.034 178.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 116' ' ' VAL . . . . . 0.414 ' O ' ' CD2' ' B' ' 122' ' ' LEU . 66.5 t -61.01 -23.21 29.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.727 178.492 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 117' ' ' PHE . . . . . 0.485 ' HB3' ' CG1' ' B' ' 89' ' ' VAL . 6.2 m-30 -106.79 -17.23 14.27 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.684 -179.643 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 118' ' ' GLN . . . . . 0.404 ' HB2' ' O ' ' B' ' 114' ' ' HIS . 0.0 OUTLIER -77.69 -30.49 51.92 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.716 0.294 . . . . 0.0 111.352 -179.471 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -48.27 139.06 9.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.918 0.39 . . . . 0.0 111.56 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 5.4 tm0? -80.28 -41.25 25.31 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.681 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 4.5 m170 -56.04 -34.3 65.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.471 179.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . 0.414 ' CD2' ' O ' ' B' ' 116' ' ' VAL . 34.7 tp -56.2 -47.26 78.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.229 179.606 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 123' ' ' HIS . . . . . 0.48 ' HA ' ' CD1' ' B' ' 126' ' ' LEU . 14.9 m170 -56.67 -23.79 44.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.192 179.058 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 124' ' ' THR . . . . . 0.488 HG22 HG22 ' A' ' 61' ' ' VAL . 6.3 m -74.85 -39.15 61.76 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 178.745 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 6.6 mt -70.64 -33.87 71.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.508 178.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . 0.494 ' HB3' ' CB ' ' B' ' 85' ' ' ALA . 6.1 mt -73.45 -50.38 21.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.633 179.527 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -63.2 -40.29 97.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.713 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . 0.444 ' CD2' ' CD2' ' C' ' 59' ' ' TYR . 46.6 mt -72.89 -33.63 66.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.008 179.452 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 129' ' ' TYR . . . . . 0.458 ' O ' HD21 ' A' ' 48' ' ' LEU . 11.4 t80 -56.04 -47.04 78.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.119 179.727 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 130' ' ' ASP . . . . . 0.435 ' CB ' ' HA ' ' B' ' 82' ' ' LEU . 2.8 p30 -74.79 -34.6 62.44 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.251 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.98 -54.24 45.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.443 -179.334 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 132' ' ' ILE . . . . . 0.46 ' HB ' ' CD2' ' A' ' 48' ' ' LEU . 1.6 mt -73.59 -37.24 49.43 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 CA-C-O 120.963 0.411 . . . . 0.0 110.765 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 133' ' ' ASN . . . . . 0.422 ' HB2' HD22 ' A' ' 48' ' ' LEU . 11.5 t-20 -68.03 -25.79 65.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.966 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 85.1 m -108.75 8.32 26.75 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.203 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 135' ' ' LYS . . . . . 0.45 ' HG3' ' N ' ' B' ' 136' ' ' SER . 0.0 OUTLIER -82.98 -55.04 4.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.909 0.385 . . . . 0.0 110.53 -179.842 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 136' ' ' SER . . . . . 0.45 ' N ' ' HG3' ' B' ' 135' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--N 1.327 -0.411 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.921 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 7' ' ' ARG . . . . . . . . . . . . . 14.4 ttm105 . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.94 -42.79 99.92 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 121.216 0.531 . . . . 0.0 109.661 178.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 52.6 mm-40 -75.59 -32.13 60.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.163 179.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -75.12 -29.91 60.68 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.388 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 6.2 p -72.35 -47.98 45.35 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.352 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.78 -36.36 83.64 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 120.874 -0.331 . . . . 0.0 110.354 179.637 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 5.4 ttt180 -73.32 -25.89 60.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.082 179.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 14' ' ' ALA . . . . . 0.421 ' O ' HD22 ' D' ' 113' ' ' LEU . . . -78.61 -54.94 5.59 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 178.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 15' ' ' LEU . . . . . 0.569 ' HB3' ' CD2' ' C' ' 44' ' ' PHE . 0.3 OUTLIER -62.88 -28.68 70.21 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.82 179.371 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 16' ' ' HIS . . . . . . . . . . . . . 20.1 t60 -73.34 -44.26 59.14 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 178.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . 0.418 HD23 ' CE1' ' C' ' 21' ' ' TYR . 2.5 mt -61.89 -45.41 93.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.904 179.185 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . 0.476 ' HB3' HG22 ' C' ' 37' ' ' ILE . 10.5 mt -58.76 -40.39 83.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.41 179.528 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.54 -47.62 81.53 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.734 179.662 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -69.18 -32.71 72.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.831 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 21' ' ' TYR . . . . . 0.67 ' O ' ' HB2' ' C' ' 25' ' ' LEU . 11.6 m-30 -65.35 -47.9 74.87 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.873 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 22' ' ' ARG . . . . . 0.421 ' HB3' ' HB ' ' C' ' 37' ' ' ILE . 4.1 ptm180 -59.98 -43.2 95.28 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-O 120.87 0.367 . . . . 0.0 110.608 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.26 -40.2 73.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.359 179.266 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 24' ' ' LYS . . . . . . . . . . . . . 6.9 ptmt -98.96 6.16 46.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.549 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 25' ' ' LEU . . . . . 0.67 ' HB2' ' O ' ' C' ' 21' ' ' TYR . 0.4 OUTLIER -94.44 -67.76 0.84 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.931 0.396 . . . . 0.0 111.099 -179.841 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 26' ' ' SER . . . . . 0.401 ' HB3' ' HB2' ' C' ' 34' ' ' ARG . 1.6 p -59.79 -160.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.935 -179.462 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 27' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 59.28 30.05 19.72 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.567 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 28' ' ' THR . . . . . 0.504 ' CG2' ' H ' ' C' ' 29' ' ' GLU . 4.5 t -152.14 -59.3 0.15 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.99 -179.546 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 29' ' ' GLU . . . . . 0.504 ' H ' ' CG2' ' C' ' 28' ' ' THR . 18.4 pt-20 -176.67 28.36 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.263 -0.88 . . . . 0.0 111.305 -179.378 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -145.52 49.41 1.24 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.916 0.389 . . . . 0.0 111.007 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.23 -55.15 27.35 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.406 0.622 . . . . 0.0 110.562 179.735 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -52.95 -47.88 67.77 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.622 178.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 33' ' ' LEU . . . . . 0.421 ' CD2' HD11 ' C' ' 25' ' ' LEU . 14.9 tp -55.95 -32.26 63.68 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.826 178.698 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 34' ' ' ARG . . . . . 0.401 ' HB2' ' HB3' ' C' ' 26' ' ' SER . 7.6 ttp180 -60.77 -43.12 98.44 Favored 'General case' 0 CA--C 1.518 -0.257 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 178.605 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 35' ' ' SER . . . . . 0.508 ' O ' ' HG3' ' C' ' 38' ' ' GLU . 3.5 t -60.99 -34.1 74.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.388 -0.823 . . . . 0.0 109.813 178.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 36' ' ' SER . . . . . 0.536 ' O ' ' HB2' ' C' ' 39' ' ' ARG . 0.9 OUTLIER -62.74 -46.07 89.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.638 179.431 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 37' ' ' ILE . . . . . 0.558 ' O ' HG12 ' C' ' 41' ' ' ILE . 44.7 mt -60.02 -49.77 82.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.074 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 38' ' ' GLU . . . . . 0.508 ' HG3' ' O ' ' C' ' 35' ' ' SER . 6.2 pt-20 -58.74 -31.42 68.31 Favored 'General case' 0 CA--C 1.519 -0.234 0 N-CA-C 110.175 -0.306 . . . . 0.0 110.175 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 39' ' ' ARG . . . . . 0.536 ' HB2' ' O ' ' C' ' 36' ' ' SER . 7.1 mtt180 -57.04 -54.52 45.86 Favored 'General case' 0 CA--C 1.514 -0.413 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 178.061 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . 0.537 ' O ' ' HB2' ' C' ' 44' ' ' PHE . 41.2 t -60.76 -30.9 48.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 114.875 -1.057 . . . . 0.0 110.386 179.221 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 41' ' ' ILE . . . . . 0.558 HG12 ' O ' ' C' ' 37' ' ' ILE . 4.3 mm -68.82 -51.4 45.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.778 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 13.6 t -68.12 -47.03 69.27 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-O 120.823 0.344 . . . . 0.0 111.195 -179.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 43' ' ' ILE . . . . . . . . . . . . . 6.0 mt -59.64 -33.69 52.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.395 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 44' ' ' PHE . . . . . 0.569 ' CD2' ' HB3' ' C' ' 15' ' ' LEU . 2.8 m-85 -72.63 -57.18 4.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.982 -0.554 . . . . 0.0 112.019 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 45' ' ' GLN . . . . . 0.427 ' HG2' ' O ' ' C' ' 41' ' ' ILE . 4.7 pt20 -77.65 -2.97 38.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.263 -178.126 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.19 151.77 1.95 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.917 0.389 . . . . 0.0 111.309 -179.718 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.89 -39.41 90.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.107 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . 0.592 ' HB3' ' CD1' ' D' ' 129' ' ' TYR . 0.4 OUTLIER -71.63 -42.42 67.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.147 179.853 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 49' ' ' PHE . . . . . 0.714 ' O ' HD23 ' C' ' 52' ' ' LEU . 12.1 t80 -50.71 -56.28 12.69 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.128 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -56.7 -22.71 36.97 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.981 0.42 . . . . 0.0 110.389 179.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 51' ' ' ALA . . . . . 0.425 ' HA ' ' HG2' ' B' ' 135' ' ' LYS . . . -68.16 -53.48 24.76 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.982 -0.553 . . . . 0.0 112.482 -179.33 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 52' ' ' LEU . . . . . 0.714 HD23 ' O ' ' C' ' 49' ' ' PHE . 0.0 OUTLIER -68.38 -30.5 69.45 Favored 'General case' 0 N--CA 1.461 0.111 0 C-N-CA 119.733 -0.787 . . . . 0.0 111.182 -179.406 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 53' ' ' ILE . . . . . 0.578 ' H ' HD23 ' C' ' 52' ' ' LEU . 23.5 mt -62.61 -43.48 98.54 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 178.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.84 -39.03 93.11 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.64 178.717 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 55' ' ' ILE . . . . . 0.411 ' CG2' ' HB2' ' C' ' 59' ' ' TYR . 71.3 mt -61.41 -45.36 98.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.338 179.166 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 56' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -50.96 -23.25 2.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.554 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 57' ' ' GLU . . . . . 0.421 ' O ' ' CD2' ' C' ' 58' ' ' PHE . 6.2 mm-40 -44.48 -37.74 3.67 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 120.8 0.334 . . . . 0.0 111.393 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 58' ' ' PHE . . . . . 0.421 ' CD2' ' O ' ' C' ' 57' ' ' GLU . 74.3 m-85 -156.64 31.58 0.32 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.389 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 59' ' ' TYR . . . . . 0.469 ' CE2' ' CD1' ' A' ' 63' ' ' LEU . 19.6 m-85 -135.18 71.89 1.44 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.618 179.667 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -57.73 100.45 0.05 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.849 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 61' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -72.39 96.93 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 121.013 0.435 . . . . 0.0 110.724 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 62' ' ' THR . . . . . . . . . . . . . 16.3 m -83.24 87.94 6.94 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.008 -179.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 63' ' ' LEU . . . . . 0.451 ' CD1' ' CE1' ' A' ' 59' ' ' TYR . 1.1 tt -65.25 144.82 56.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.202 179.411 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 64' ' ' LEU . . . . . 0.461 HD23 ' N ' ' C' ' 64' ' ' LEU . 0.3 OUTLIER . . . . . 0 CA--C 1.532 0.268 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 -178.75 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 82' ' ' LEU . . . . . 0.435 ' HB2' ' OD2' ' D' ' 130' ' ' ASP . 9.4 tt . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.771 0.319 . . . . 0.0 111.415 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 83' ' ' LEU . . . . . 0.62 ' O ' ' HB3' ' D' ' 87' ' ' ARG . 0.4 OUTLIER -81.98 -43.21 18.33 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-O 120.873 0.368 . . . . 0.0 111.056 -179.179 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' D' D ' 84' ' ' ALA . . . . . 0.547 ' N ' ' CD2' ' D' ' 83' ' ' LEU . . . -70.14 -24.03 63.11 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.696 -179.302 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 85' ' ' ALA . . . . . 0.525 ' HB1' ' HB2' ' D' ' 126' ' ' LEU . . . -53.34 -27.25 22.44 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.204 0.526 . . . . 0.0 110.272 179.155 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 86' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -122.39 -41.51 2.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.529 -0.759 . . . . 0.0 109.713 178.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 87' ' ' ARG . . . . . 0.62 ' HB3' ' O ' ' D' ' 83' ' ' LEU . 17.3 ttt180 -62.01 -48.72 79.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.071 179.044 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 88' ' ' ALA . . . . . 0.546 ' HB2' ' CB ' ' D' ' 84' ' ' ALA . . . -66.53 -42.5 87.14 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.116 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 89' ' ' VAL . . . . . 0.469 ' O ' ' HB2' ' D' ' 93' ' ' LEU . 45.2 t -66.4 -41.99 89.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.02 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 12.1 t -75.54 -38.97 58.93 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.723 -179.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 91' ' ' GLN . . . . . 0.435 ' NE2' ' HA ' ' D' ' 88' ' ' ALA . 5.5 pt20 -67.61 -50.36 58.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.059 0.456 . . . . 0.0 109.932 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 92' ' ' VAL . . . . . 0.431 ' N ' ' CG ' ' D' ' 91' ' ' GLN . 44.0 t -65.45 -27.71 42.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.378 178.098 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 93' ' ' LEU . . . . . 0.589 HD22 ' HA ' ' D' ' 114' ' ' HIS . 2.1 mt -61.72 -45.69 92.86 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.197 179.409 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -76.22 -24.77 54.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.903 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 95' ' ' SER . . . . . 0.417 ' OG ' HD11 ' C' ' 33' ' ' LEU . 13.6 p -77.75 -28.27 50.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.583 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 96' ' ' LEU . . . . . 0.452 ' O ' ' HB ' ' D' ' 99' ' ' ILE . 0.2 OUTLIER -38.36 -52.57 1.53 Allowed 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -179.218 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -70.14 -29.86 66.88 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.957 0.408 . . . . 0.0 111.151 -179.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.63 -33.07 72.12 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 177.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 99' ' ' ILE . . . . . 0.504 HG12 ' CD1' ' C' ' 25' ' ' LEU . 47.3 mt -64.12 -49.41 81.5 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.834 0 CA-C-N 114.605 -1.179 . . . . 0.0 109.678 178.61 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 100' ' ' HIS . . . . . 0.497 ' HB2' ' CD1' ' D' ' 110' ' ' LEU . 1.8 t-160 -55.63 -33.17 63.77 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 178.057 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 101' ' ' ALA . . . . . . . . . . . . . . . -57.51 -46.57 83.63 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 114.403 -1.272 . . . . 0.0 111.949 179.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 102' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -117.25 30.8 7.1 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -177.438 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 103' ' ' THR . . . . . 0.463 HG21 ' O ' ' D' ' 99' ' ' ILE . 37.9 p -147.33 -33.24 0.28 Allowed 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.85 -0.34 . . . . 0.0 111.453 179.422 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 68.26 28.6 6.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.936 0.398 . . . . 0.0 110.447 -179.59 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 105' ' ' SER . . . . . 0.429 ' HB3' ' CE1' ' C' ' 21' ' ' TYR . 12.2 m -52.19 -77.36 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.903 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 106' ' ' SER . . . . . . . . . . . . . 1.4 m 173.55 106.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.573 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -49.82 -37.97 32.72 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.882 0.372 . . . . 0.0 110.722 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.44 -45.94 81.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.857 179.161 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 109' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -62.44 -37.3 85.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.88 179.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 110' ' ' LEU . . . . . 0.497 ' CD1' ' HB2' ' D' ' 100' ' ' HIS . 14.1 mt -59.04 -47.48 85.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.153 179.312 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 111' ' ' ASP . . . . . 0.437 ' HA ' ' HD2' ' D' ' 114' ' ' HIS . 2.3 m-20 -59.19 -40.32 85.35 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.749 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 112' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -58.51 -42.01 86.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.517 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 113' ' ' LEU . . . . . 0.429 ' O ' ' CD2' ' D' ' 117' ' ' PHE . 0.5 OUTLIER -72.09 -32.1 66.71 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.006 -179.832 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' D' D ' 114' ' ' HIS . . . . . 0.589 ' HA ' HD22 ' D' ' 93' ' ' LEU . 0.0 OUTLIER -59.7 -36.51 76.66 Favored 'General case' 0 CA--C 1.516 -0.332 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 178.427 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' D' D ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.25 -35.95 63.83 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 178.449 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 116' ' ' VAL . . . . . 0.403 ' O ' ' CD2' ' D' ' 122' ' ' LEU . 72.7 t -61.79 -23.38 31.0 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.241 178.61 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 117' ' ' PHE . . . . . 0.429 ' CD2' ' O ' ' D' ' 113' ' ' LEU . 38.6 m-85 -105.98 -28.65 10.43 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.412 -179.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 118' ' ' GLN . . . . . 0.415 ' NE2' ' CD1' ' D' ' 93' ' ' LEU . 0.0 OUTLIER -67.56 -28.41 67.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.37 -179.427 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -44.45 123.7 3.71 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.635 -179.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 120' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -64.54 -48.78 73.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.719 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 121' ' ' HIS . . . . . . . . . . . . . 16.4 m170 -55.9 -34.3 65.43 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.681 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 122' ' ' LEU . . . . . 0.455 ' HA ' ' CD1' ' D' ' 125' ' ' LEU . 36.6 tp -56.0 -47.95 76.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.31 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 123' ' ' HIS . . . . . 0.643 ' HA ' ' CD1' ' D' ' 126' ' ' LEU . 12.8 m170 -53.88 -26.36 24.44 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.059 0.457 . . . . 0.0 110.139 178.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 124' ' ' THR . . . . . . . . . . . . . 10.5 m -78.51 -30.49 47.16 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.526 178.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 125' ' ' LEU . . . . . 0.46 ' HB3' ' CD2' ' C' ' 52' ' ' LEU . 62.5 mt -66.45 -47.16 74.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.179 -0.919 . . . . 0.0 111.133 179.7 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 126' ' ' LEU . . . . . 0.643 ' CD1' ' HA ' ' D' ' 123' ' ' HIS . 0.1 OUTLIER -73.11 -37.58 66.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.902 0.382 . . . . 0.0 110.797 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' D' D ' 127' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -58.99 -49.77 76.62 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.103 0.478 . . . . 0.0 110.182 179.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 128' ' ' LEU . . . . . 0.43 HD23 ' CD1' ' A' ' 59' ' ' TYR . 12.4 mt -71.0 -28.81 64.69 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.11 179.118 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 129' ' ' TYR . . . . . 0.592 ' CD1' ' HB3' ' C' ' 48' ' ' LEU . 13.1 t80 -54.87 -52.93 61.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.911 -179.383 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 130' ' ' ASP . . . . . 0.435 ' OD2' ' HB2' ' D' ' 82' ' ' LEU . 4.0 t70 -77.51 -31.27 53.37 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.08 179.137 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.68 -51.99 63.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.081 -179.459 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 132' ' ' ILE . . . . . . . . . . . . . 3.1 mt -78.57 -38.44 22.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.968 0.414 . . . . 0.0 111.149 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 133' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.367 -179.395 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.237 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.0 tttm -64.13 -37.82 88.85 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 121.111 0.481 . . . . 0.0 109.739 179.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 59.3 mm-40 -77.46 -27.21 51.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.099 178.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -79.25 -33.07 43.9 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.487 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.4 p -74.85 -40.36 61.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.568 179.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.98 -36.55 72.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.167 179.341 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.85 -26.4 60.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.864 179.03 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.434 ' O ' HD22 ' B' ' 113' ' ' LEU . . . -78.41 -54.73 5.86 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 178.788 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.463 ' CD2' ' HB3' ' A' ' 44' ' ' PHE . 0.3 OUTLIER -61.11 -25.18 66.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.478 179.052 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.9 m170 -73.42 -47.02 45.06 Favored 'General case' 0 CA--C 1.518 -0.25 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 178.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.45 ' CD2' ' CE1' ' A' ' 21' ' ' TYR . 3.5 mt -62.34 -33.43 74.69 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.635 -0.712 . . . . 0.0 109.564 178.817 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.426 ' HB3' HG22 ' A' ' 37' ' ' ILE . 27.5 mt -63.84 -50.19 69.87 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.024 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.415 ' N ' HD12 ' A' ' 41' ' ' ILE . 0.2 OUTLIER -61.35 -34.32 75.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.146 -179.815 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.38 -41.38 61.07 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.243 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.675 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 10.2 m-30 -65.31 -49.26 70.14 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.188 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.418 ' HG3' ' N ' ' A' ' 23' ' ' SER . 3.4 ptm180 -55.85 -40.76 73.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.961 0.41 . . . . 0.0 110.441 179.248 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.418 ' N ' ' HG3' ' A' ' 22' ' ' ARG . 0.2 OUTLIER -61.33 -34.24 74.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.684 179.457 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.4 21.58 13.95 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.879 0.371 . . . . 0.0 111.536 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.675 ' HB2' ' O ' ' A' ' 21' ' ' TYR . 0.0 OUTLIER -112.18 -53.5 2.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.9 -179.77 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.535 ' CB ' ' HB2' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -71.94 -19.26 61.93 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.999 -178.929 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.438 ' OE1' ' NH1' ' A' ' 31' ' ' ARG . 0.2 OUTLIER -72.71 58.0 0.43 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.919 0.39 . . . . 0.0 110.784 -179.68 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.476 ' CG2' ' H ' ' A' ' 29' ' ' GLU . 8.5 t -175.8 -57.21 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.682 -179.744 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.476 ' H ' ' CG2' ' A' ' 28' ' ' THR . 16.8 pt-20 -173.19 29.33 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.907 -179.123 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.452 ' O ' ' HB2' ' A' ' 26' ' ' SER . 1.2 m-20 -139.13 44.56 2.01 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.938 0.399 . . . . 0.0 111.41 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.499 ' HA ' ' HB2' ' A' ' 26' ' ' SER . 17.0 mmm180 -54.55 -53.14 58.39 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 121.135 0.493 . . . . 0.0 110.671 179.726 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -55.62 -41.89 74.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.969 179.252 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.427 HD12 ' CB ' ' B' ' 95' ' ' SER . 4.2 tp -57.31 -32.63 66.87 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.245 179.147 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.535 ' HB2' ' CB ' ' A' ' 26' ' ' SER . 4.2 ttp180 -63.37 -47.68 81.07 Favored 'General case' 0 CA--C 1.515 -0.38 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 178.592 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.2 m -54.71 -36.5 64.78 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.844 -1.071 . . . . 0.0 111.073 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.498 ' HB3' ' NE2' ' B' ' 91' ' ' GLN . 1.0 OUTLIER -70.57 -48.24 56.26 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.981 0.42 . . . . 0.0 110.105 179.507 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.582 ' O ' HG12 ' A' ' 41' ' ' ILE . 9.1 mt -60.61 -36.45 70.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.302 0.572 . . . . 0.0 109.823 178.64 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.82 -52.18 58.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.006 -0.997 . . . . 0.0 112.168 -179.334 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.473 ' HG3' ' HB1' ' B' ' 88' ' ' ALA . 5.9 ptp180 -55.76 -38.57 70.03 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.527 -0.469 . . . . 0.0 109.937 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.443 ' CG1' ' CD1' ' A' ' 44' ' ' PHE . 95.5 t -61.98 -41.61 91.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 178.3 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.582 HG12 ' O ' ' A' ' 37' ' ' ILE . 9.7 mm -54.8 -54.72 20.55 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.481 179.595 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 18.5 p -60.86 -47.84 84.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.854 0.359 . . . . 0.0 110.724 -179.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.486 HG22 HD11 ' A' ' 43' ' ' ILE . 13.2 mt -59.68 -34.82 56.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.082 179.17 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.463 ' HB3' ' CD2' ' A' ' 15' ' ' LEU . 1.5 m-85 -72.43 -56.69 5.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.928 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.403 ' NE2' HG22 ' A' ' 41' ' ' ILE . 3.4 pt20 -79.88 -1.36 38.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.752 -178.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.489 ' CB ' ' CE1' ' B' ' 129' ' ' TYR . 0.4 OUTLIER -49.19 136.73 14.76 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.828 0.347 . . . . 0.0 111.086 -179.893 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -55.52 -34.46 64.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.108 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.411 ' HG ' ' HA ' ' B' ' 129' ' ' TYR . 2.0 tp -79.48 -45.04 20.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.959 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.407 ' CG ' ' O ' ' A' ' 43' ' ' ILE . 55.0 t80 -51.04 -52.24 45.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.157 -179.635 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -58.25 -34.95 71.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.901 0.381 . . . . 0.0 110.507 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.72 -46.21 89.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.682 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.408 ' CD1' ' N ' ' B' ' 129' ' ' TYR . 3.5 mt -61.34 -44.85 96.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.289 179.536 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 56.3 mt -53.46 -40.27 40.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.665 179.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.99 -41.26 91.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.46 179.577 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.414 HG22 ' CG ' ' A' ' 59' ' ' TYR . 55.5 mt -58.77 -34.05 50.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.873 179.643 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -54.03 -20.98 7.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.843 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.411 ' O ' ' CG ' ' A' ' 58' ' ' PHE . 0.2 OUTLIER -46.7 -38.18 9.48 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-O 120.655 0.264 . . . . 0.0 111.493 -179.729 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.411 ' CG ' ' O ' ' A' ' 57' ' ' GLU . 94.5 m-85 -157.52 38.8 0.28 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.65 -179.69 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.431 ' CE2' HD12 ' C' ' 63' ' ' LEU . 57.4 m-85 -139.16 75.42 1.51 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.747 179.653 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -65.37 90.72 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.662 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -72.62 104.51 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.958 0.409 . . . . 0.0 111.015 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.2 m -88.86 107.81 19.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.652 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.445 HD11 ' CE2' ' C' ' 59' ' ' TYR . 0.1 OUTLIER -77.1 142.09 39.93 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.49 179.689 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.464 ' N ' ' CD2' ' A' ' 64' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.346 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -179.609 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . 0.587 ' CD2' ' N ' ' B' ' 82' ' ' LEU . 0.3 OUTLIER . . . . . 0 CA--C 1.521 -0.142 0 CA-C-O 121.543 0.687 . . . . 0.0 109.894 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . 0.779 ' O ' ' HB3' ' B' ' 87' ' ' ARG . 0.0 OUTLIER -50.33 -57.42 7.94 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 114.858 -1.064 . . . . 0.0 112.458 -178.537 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . 0.638 ' H ' ' CD2' ' B' ' 83' ' ' LEU . . . -69.37 -26.46 64.68 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.789 -178.549 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 85' ' ' ALA . . . . . 0.559 ' CB ' ' HB3' ' B' ' 126' ' ' LEU . . . -53.12 -25.36 12.93 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.073 0.463 . . . . 0.0 110.245 179.682 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.36 -44.51 1.71 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.02 178.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 87' ' ' ARG . . . . . 0.779 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 9.5 ttt85 -57.67 -48.44 79.49 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.092 179.045 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . 0.473 ' HB1' ' HG3' ' A' ' 39' ' ' ARG . . . -57.44 -47.77 80.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.24 -179.485 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 89' ' ' VAL . . . . . 0.462 HG11 ' CD1' ' B' ' 117' ' ' PHE . 31.3 t -62.94 -29.77 47.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.825 179.562 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.18 -25.88 55.63 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.214 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 91' ' ' GLN . . . . . 0.569 ' HG3' ' O ' ' B' ' 87' ' ' ARG . 1.8 mt-30 -72.19 -50.04 30.78 Favored 'General case' 0 CA--C 1.517 -0.326 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 179.387 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 92' ' ' VAL . . . . . 0.43 HG22 ' HA ' ' A' ' 37' ' ' ILE . 2.7 t -68.27 -27.92 38.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.971 178.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 93' ' ' LEU . . . . . 0.592 HD21 ' HA ' ' B' ' 114' ' ' HIS . 3.5 mt -67.91 -39.14 83.61 Favored 'General case' 0 C--O 1.231 0.096 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.166 179.581 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -79.25 -33.16 43.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.017 0.437 . . . . 0.0 110.638 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 95' ' ' SER . . . . . 0.427 ' CB ' HD12 ' A' ' 33' ' ' LEU . 0.5 OUTLIER -79.15 -20.4 48.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.273 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . 0.495 HD22 ' CD2' ' B' ' 110' ' ' LEU . 0.1 OUTLIER -38.2 -52.15 1.46 Allowed 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -179.552 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -68.17 -31.06 70.34 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 -179.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.92 -35.75 74.8 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.12 -1.066 . . . . 0.0 108.12 178.111 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 99' ' ' ILE . . . . . 0.506 HG12 ' CD1' ' A' ' 25' ' ' LEU . 34.7 mt -59.25 -47.69 89.51 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.705 0 CA-C-N 114.481 -1.236 . . . . 0.0 109.844 178.519 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 100' ' ' HIS . . . . . 0.56 ' HB2' ' CD1' ' B' ' 110' ' ' LEU . 7.4 t-160 -56.04 -41.18 74.62 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-O 122.025 0.917 . . . . 0.0 108.594 178.01 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -51.04 -41.79 60.09 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 113.966 -1.47 . . . . 0.0 111.826 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 102' ' ' LEU . . . . . 0.42 HD12 HD21 ' A' ' 25' ' ' LEU . 0.4 OUTLIER -122.91 35.71 4.82 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 -177.436 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 103' ' ' THR . . . . . 0.442 ' OG1' ' O ' ' B' ' 99' ' ' ILE . 43.7 p -153.5 -35.45 0.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.762 179.395 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 24.4 t0 74.01 27.35 1.62 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.066 0.46 . . . . 0.0 110.333 -179.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 105' ' ' SER . . . . . 0.417 ' OG ' ' CE1' ' A' ' 21' ' ' TYR . 4.0 m -60.27 -16.02 30.25 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.471 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 106' ' ' SER . . . . . 0.413 ' CB ' ' O ' ' B' ' 105' ' ' SER . 0.7 OUTLIER 80.03 127.74 0.05 OUTLIER 'General case' 0 C--O 1.232 0.167 0 CA-C-O 120.871 0.367 . . . . 0.0 110.691 -179.786 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . 0.407 ' HA ' HD12 ' B' ' 110' ' ' LEU . 0.3 OUTLIER -56.34 -22.53 31.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.262 -179.746 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.95 -55.23 35.43 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.016 0.436 . . . . 0.0 110.171 179.587 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -63.39 -39.81 95.51 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.644 178.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 110' ' ' LEU . . . . . 0.56 ' CD1' ' HB2' ' B' ' 100' ' ' HIS . 59.6 mt -60.52 -41.05 93.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.272 179.233 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 111' ' ' ASP . . . . . 0.466 ' HA ' ' HD2' ' B' ' 114' ' ' HIS . 16.2 t70 -61.24 -44.98 96.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.914 -179.555 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -58.69 -39.86 81.94 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.628 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 113' ' ' LEU . . . . . 0.434 HD22 ' O ' ' A' ' 14' ' ' ALA . 0.5 OUTLIER -75.35 -27.97 59.41 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.055 -179.737 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 114' ' ' HIS . . . . . 0.592 ' HA ' HD21 ' B' ' 93' ' ' LEU . 0.0 OUTLIER -64.41 -35.84 82.2 Favored 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 178.386 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 3.4 m -75.7 -36.91 59.89 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 178.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 116' ' ' VAL . . . . . 0.413 ' CG1' ' CB ' ' A' ' 14' ' ' ALA . 54.5 t -63.76 -23.48 33.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.83 178.46 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 117' ' ' PHE . . . . . 0.462 ' CD1' HG11 ' B' ' 89' ' ' VAL . 20.9 m-85 -101.11 -31.95 10.81 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.365 -179.744 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 118' ' ' GLN . . . . . 0.401 ' NE2' ' CD1' ' B' ' 93' ' ' LEU . 0.0 OUTLIER -67.65 -28.13 67.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.456 -179.329 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -44.02 114.94 0.74 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.697 -179.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.85 -44.99 95.72 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.54 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 30.9 m80 -56.46 -34.36 66.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.479 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . 0.404 ' CD2' ' O ' ' B' ' 116' ' ' VAL . 37.5 tp -56.1 -48.47 76.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.304 179.658 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 123' ' ' HIS . . . . . 0.5 ' HA ' ' CD1' ' B' ' 126' ' ' LEU . 50.6 m170 -53.6 -27.26 25.73 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.88 178.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 124' ' ' THR . . . . . 0.405 HG21 HD13 ' A' ' 63' ' ' LEU . 1.7 m -73.84 -37.22 64.88 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.335 178.675 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . 0.418 ' O ' ' HB3' ' B' ' 129' ' ' TYR . 3.1 mt -73.01 -32.4 65.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.586 178.627 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . 0.559 ' HB3' ' CB ' ' B' ' 85' ' ' ALA . 5.1 mt -72.99 -46.53 51.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.143 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.74 -49.97 64.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.085 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . 0.445 HD23 ' CD2' ' C' ' 59' ' ' TYR . 32.8 mt -60.87 -37.9 83.73 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.564 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 129' ' ' TYR . . . . . 0.489 ' CE1' ' CB ' ' A' ' 46' ' ' SER . 0.5 OUTLIER -59.51 -50.9 72.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.079 -179.673 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 130' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -75.36 -17.23 60.28 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.687 -179.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.22 -52.08 11.77 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.722 0.296 . . . . 0.0 110.8 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 132' ' ' ILE . . . . . 0.411 ' HB ' ' CD2' ' A' ' 48' ' ' LEU . 2.5 mt -71.16 -35.52 58.78 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 CA-C-O 120.925 0.393 . . . . 0.0 110.546 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 133' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -60.84 -25.1 66.38 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.977 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 54.5 m -84.43 -26.32 28.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.698 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.31 -30.71 15.69 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.501 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 19.3 m . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.101 -179.826 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.232 0 CA-C-O 120.527 0.203 . . . . 0.0 110.48 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 17.1 mttt -66.65 -36.9 83.66 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 121.24 0.543 . . . . 0.0 109.589 178.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 24.2 mm-40 -78.13 -28.32 48.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.905 178.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -80.82 -30.71 35.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.198 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 3.1 p -73.08 -42.25 63.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.19 179.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -68.22 -43.39 78.07 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.063 179.265 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 2.9 ttp180 -67.33 -25.58 66.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.987 179.009 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 14' ' ' ALA . . . . . 0.515 ' O ' HD21 ' D' ' 113' ' ' LEU . . . -78.49 -55.24 5.37 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 121.234 0.54 . . . . 0.0 109.685 178.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 15' ' ' LEU . . . . . 0.509 ' HB3' ' CD2' ' C' ' 44' ' ' PHE . 0.3 OUTLIER -63.06 -29.14 70.58 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.701 179.152 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' C' C ' 16' ' ' HIS . . . . . . . . . . . . . 31.6 t60 -71.13 -46.49 61.5 Favored 'General case' 0 CA--C 1.518 -0.267 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 178.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . 0.404 ' HB3' HD12 ' D' ' 113' ' ' LEU . 1.9 mt -60.64 -36.32 78.36 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.187 178.386 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . 0.43 ' HB3' ' CG2' ' C' ' 37' ' ' ILE . 39.0 mt -59.01 -45.54 90.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 114.98 -1.009 . . . . 0.0 110.428 179.44 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -59.4 -42.66 92.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.18 0.514 . . . . 0.0 110.694 179.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.1 -36.36 72.17 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.051 179.53 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 21' ' ' TYR . . . . . 0.505 ' O ' ' HB2' ' C' ' 25' ' ' LEU . 11.4 m-30 -66.28 -46.12 78.11 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.815 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 22' ' ' ARG . . . . . 0.406 ' HB3' ' HB ' ' C' ' 37' ' ' ILE . 0.2 OUTLIER -60.41 -38.65 84.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.913 0.387 . . . . 0.0 110.487 179.551 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 24.4 p -58.44 -48.18 81.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.037 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 24' ' ' LYS . . . . . 0.419 ' HG3' ' CG2' ' D' ' 103' ' ' THR . 2.8 ptpt -80.3 -32.1 38.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.006 0.431 . . . . 0.0 111.382 -179.767 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 25' ' ' LEU . . . . . 0.505 ' HB2' ' O ' ' C' ' 21' ' ' TYR . 0.5 OUTLIER -61.07 -74.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.396 -179.223 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' C' C ' 26' ' ' SER . . . . . 0.493 ' HB2' ' HB2' ' C' ' 34' ' ' ARG . 30.2 t -62.21 -147.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.789 -179.42 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 27' ' ' GLN . . . . . 0.408 ' OE1' ' NH1' ' C' ' 31' ' ' ARG . 0.0 OUTLIER 47.96 27.41 1.17 Allowed 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 120.982 0.42 . . . . 0.0 110.311 -179.467 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' C' C ' 28' ' ' THR . . . . . 0.455 ' CG2' ' N ' ' C' ' 29' ' ' GLU . 2.2 t -153.33 -49.54 0.1 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.766 -179.755 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 29' ' ' GLU . . . . . 0.455 ' N ' ' CG2' ' C' ' 28' ' ' THR . 8.9 pt-20 -177.15 26.73 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.828 -0.623 . . . . 0.0 111.693 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 30' ' ' ASP . . . . . 0.488 ' CB ' HD22 ' C' ' 25' ' ' LEU . 0.9 OUTLIER -143.9 59.65 1.37 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.163 0.506 . . . . 0.0 111.076 -179.773 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . 0.408 ' NH1' ' OE1' ' C' ' 27' ' ' GLN . 16.0 mmm180 -67.29 -53.06 33.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.382 179.551 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.81 -51.54 69.57 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.774 179.037 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 33' ' ' LEU . . . . . 0.442 HD21 ' HB3' ' D' ' 95' ' ' SER . 11.9 tp -51.49 -34.35 35.37 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.026 178.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 34' ' ' ARG . . . . . 0.493 ' HB2' ' HB2' ' C' ' 26' ' ' SER . 7.6 ttp180 -60.6 -48.39 81.98 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.362 178.717 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 35' ' ' SER . . . . . 0.404 ' O ' ' HG2' ' C' ' 39' ' ' ARG . 5.9 m -55.01 -33.57 62.72 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.379 179.296 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 36' ' ' SER . . . . . 0.477 ' O ' ' HG2' ' C' ' 39' ' ' ARG . 4.3 m -65.75 -50.39 64.94 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-O 121.027 0.441 . . . . 0.0 110.579 179.512 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 37' ' ' ILE . . . . . 0.602 ' O ' HG12 ' C' ' 41' ' ' ILE . 33.9 mt -59.96 -38.2 75.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.202 0.525 . . . . 0.0 109.728 178.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -63.14 -52.01 64.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.939 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 39' ' ' ARG . . . . . 0.647 ' HG3' ' HB2' ' D' ' 88' ' ' ALA . 3.3 ptp180 -55.09 -40.07 70.02 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.232 -179.639 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . 0.46 ' CG1' ' CD1' ' C' ' 44' ' ' PHE . 93.9 t -61.26 -39.91 84.23 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 178.044 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 41' ' ' ILE . . . . . 0.602 HG12 ' O ' ' C' ' 37' ' ' ILE . 14.0 mm -54.62 -59.05 2.53 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.286 179.526 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 17.1 t -58.98 -46.7 87.46 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.947 0.403 . . . . 0.0 110.739 -179.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 43' ' ' ILE . . . . . . . . . . . . . 13.1 mt -60.06 -34.46 56.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.148 179.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 44' ' ' PHE . . . . . 0.509 ' CD2' ' HB3' ' C' ' 15' ' ' LEU . 1.3 m-85 -72.26 -57.39 4.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.418 179.706 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 45' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -77.62 -2.64 36.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.578 -179.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 46' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -46.91 137.39 7.36 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-O 120.947 0.403 . . . . 0.0 111.307 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -59.51 -34.13 72.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.045 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . 0.444 ' CD2' ' HB ' ' D' ' 132' ' ' ILE . 0.6 OUTLIER -79.45 -47.99 14.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.683 179.927 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' C' C ' 49' ' ' PHE . . . . . 0.413 ' CE1' HD22 ' D' ' 126' ' ' LEU . 54.7 t80 -51.53 -55.93 16.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.276 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 49.9 mm-40 -57.01 -37.2 71.35 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.95 0.405 . . . . 0.0 110.712 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.48 -42.3 87.19 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.424 179.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 1.8 mt -63.03 -44.18 96.64 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 121.21 0.528 . . . . 0.0 110.073 179.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 20.7 mt -54.77 -34.84 31.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.446 179.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -70.37 -40.45 73.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.256 179.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 55' ' ' ILE . . . . . 0.447 HD11 HG21 ' C' ' 55' ' ' ILE . 79.0 mt -57.58 -41.0 78.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.726 179.446 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 56' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -52.41 -23.86 6.76 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.691 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 57' ' ' GLU . . . . . 0.407 ' O ' ' CD2' ' C' ' 58' ' ' PHE . 77.2 mt-10 -47.84 -30.98 4.5 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.278 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 58' ' ' PHE . . . . . 0.427 ' CA ' ' HG ' ' A' ' 64' ' ' LEU . 63.6 m-85 -158.11 32.6 0.25 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.531 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 59' ' ' TYR . . . . . 0.445 ' CD2' HD23 ' B' ' 128' ' ' LEU . 39.8 m-85 -140.93 89.02 2.22 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.598 179.619 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -73.39 94.15 2.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.683 0.278 . . . . 0.0 110.951 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 61' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -72.89 98.91 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-O 120.921 0.391 . . . . 0.0 110.877 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 62' ' ' THR . . . . . . . . . . . . . 1.7 m -84.6 106.76 16.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.723 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 63' ' ' LEU . . . . . 0.431 HD12 ' CE2' ' A' ' 59' ' ' TYR . 0.2 OUTLIER -81.45 128.43 33.87 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.582 179.733 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' C' C ' 64' ' ' LEU . . . . . 0.474 ' CD2' ' N ' ' C' ' 64' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.327 -0.392 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.084 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 82' ' ' LEU . . . . . 0.612 ' HA ' ' CG ' ' D' ' 130' ' ' ASP . 5.5 tt . . . . . 0 N--CA 1.451 -0.393 0 CA-C-O 120.834 0.35 . . . . 0.0 111.104 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 83' ' ' LEU . . . . . 0.659 ' O ' ' HB3' ' D' ' 87' ' ' ARG . 0.0 OUTLIER -67.92 -54.89 15.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.111 0.482 . . . . 0.0 110.811 -179.845 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' D' D ' 84' ' ' ALA . . . . . 0.605 ' O ' ' HB3' ' D' ' 88' ' ' ALA . . . -68.94 -23.67 64.18 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.276 -0.875 . . . . 0.0 112.008 -178.586 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 85' ' ' ALA . . . . . . . . . . . . . . . -52.74 -22.63 5.47 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.163 179.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 86' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -129.24 -44.94 1.25 Allowed 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.914 178.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 87' ' ' ARG . . . . . 0.659 ' HB3' ' O ' ' D' ' 83' ' ' LEU . 11.5 ttt85 -58.01 -43.24 86.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.41 179.193 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 88' ' ' ALA . . . . . 0.647 ' HB2' ' HG3' ' C' ' 39' ' ' ARG . . . -59.41 -49.6 77.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.444 -179.526 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 89' ' ' VAL . . . . . 0.523 ' CG1' ' HB3' ' D' ' 117' ' ' PHE . 44.3 t -63.87 -52.39 57.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.049 -179.698 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 3.5 t -54.76 -27.22 39.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.142 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 91' ' ' GLN . . . . . 0.469 ' NE2' ' HG2' ' D' ' 87' ' ' ARG . 26.2 mt-30 -70.4 -56.97 5.38 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-O 121.247 0.546 . . . . 0.0 110.059 179.75 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 92' ' ' VAL . . . . . 0.42 ' CG2' ' HA ' ' C' ' 37' ' ' ILE . 4.2 t -66.03 -28.11 42.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.307 179.533 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 93' ' ' LEU . . . . . 0.481 HD21 ' HA ' ' D' ' 114' ' ' HIS . 1.3 mt -69.6 -34.84 74.67 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.404 179.735 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -84.75 -37.84 20.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.923 0.392 . . . . 0.0 111.037 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 95' ' ' SER . . . . . 0.443 ' O ' ' N ' ' D' ' 98' ' ' GLU . 0.6 OUTLIER -79.96 -20.8 44.71 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.991 -179.593 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' D' D ' 96' ' ' LEU . . . . . 0.615 ' O ' ' HB ' ' D' ' 99' ' ' ILE . 0.1 OUTLIER -36.53 -52.31 0.86 Allowed 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 -179.224 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -67.39 -31.17 71.21 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.947 0.403 . . . . 0.0 110.921 -179.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 98' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' D' ' 95' ' ' SER . 0.0 OUTLIER -68.31 -35.19 77.44 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 177.443 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' D' D ' 99' ' ' ILE . . . . . 0.615 ' HB ' ' O ' ' D' ' 96' ' ' LEU . 6.0 mt -58.36 -49.45 81.96 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.711 0 CA-C-N 114.292 -1.322 . . . . 0.0 110.231 178.544 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 100' ' ' HIS . . . . . 0.547 ' HB2' ' CD1' ' D' ' 110' ' ' LEU . 11.2 t-160 -56.21 -39.41 72.42 Favored 'General case' 0 CA--C 1.515 -0.393 0 CA-C-O 121.977 0.894 . . . . 0.0 108.704 178.456 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 101' ' ' ALA . . . . . . . . . . . . . . . -52.19 -43.48 64.19 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.001 -1.454 . . . . 0.0 112.077 179.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 102' ' ' LEU . . . . . 0.444 ' CD1' HD21 ' C' ' 25' ' ' LEU . 0.4 OUTLIER -119.25 31.57 6.54 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -177.4 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' D' D ' 103' ' ' THR . . . . . 0.419 ' CG2' ' HG3' ' C' ' 24' ' ' LYS . 34.2 p -149.18 -32.86 0.21 Allowed 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.994 -0.283 . . . . 0.0 111.613 179.6 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 69.09 28.27 5.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.082 0.467 . . . . 0.0 110.101 -179.231 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 105' ' ' SER . . . . . 0.451 ' CB ' ' CE1' ' C' ' 21' ' ' TYR . 2.2 p -51.0 -84.79 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.054 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 106' ' ' SER . . . . . 0.401 ' CB ' ' O ' ' D' ' 105' ' ' SER . 0.5 OUTLIER 164.47 108.08 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.046 179.907 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -47.66 -32.79 6.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.881 0.372 . . . . 0.0 110.658 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.01 -45.37 89.28 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 179.183 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 109' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -69.96 -35.51 74.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.641 178.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 110' ' ' LEU . . . . . 0.547 ' CD1' ' HB2' ' D' ' 100' ' ' HIS . 63.5 mt -65.16 -42.37 93.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.957 179.191 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 111' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -62.62 -41.2 98.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.53 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 112' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -59.03 -44.98 91.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.35 179.498 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 113' ' ' LEU . . . . . 0.515 HD21 ' O ' ' C' ' 14' ' ' ALA . 0.5 OUTLIER -70.04 -40.22 75.27 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.747 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' D' D ' 114' ' ' HIS . . . . . 0.481 ' HA ' HD21 ' D' ' 93' ' ' LEU . 1.6 t-80 -57.57 -32.89 67.6 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 178.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 115' ' ' SER . . . . . . . . . . . . . 10.3 t -74.81 -38.38 62.08 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 177.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 116' ' ' VAL . . . . . 0.432 ' HB ' ' HA ' ' D' ' 113' ' ' LEU . 14.7 t -62.54 -23.76 33.4 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.163 177.643 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 117' ' ' PHE . . . . . 0.523 ' HB3' ' CG1' ' D' ' 89' ' ' VAL . 25.1 m-85 -97.48 -32.5 11.8 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.186 -0.915 . . . . 0.0 111.403 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 118' ' ' GLN . . . . . 0.448 ' NE2' ' CD2' ' D' ' 114' ' ' HIS . 0.0 OUTLIER -69.07 -29.5 67.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.516 -179.13 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -42.93 114.15 0.57 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.648 -179.389 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 120' ' ' GLN . . . . . . . . . . . . . 3.2 tm0? -59.18 -44.13 92.18 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.628 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 121' ' ' HIS . . . . . . . . . . . . . 57.1 m-70 -55.85 -33.64 64.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.593 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 122' ' ' LEU . . . . . 0.401 ' CD2' ' O ' ' D' ' 116' ' ' VAL . 39.1 tp -55.52 -46.7 76.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.649 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 123' ' ' HIS . . . . . 0.45 ' HA ' ' CD1' ' D' ' 126' ' ' LEU . 0.0 OUTLIER -57.26 -25.54 59.36 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 179.191 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' D' D ' 124' ' ' THR . . . . . 0.439 ' N ' ' CD2' ' D' ' 123' ' ' HIS . 2.0 m -73.38 -37.5 65.97 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 178.751 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 125' ' ' LEU . . . . . . . . . . . . . 6.2 mt -71.99 -33.32 68.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.417 178.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 126' ' ' LEU . . . . . 0.45 ' CD1' ' HA ' ' D' ' 123' ' ' HIS . 7.8 mt -73.44 -50.79 19.86 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.941 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 127' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -60.19 -39.35 86.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.947 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 128' ' ' LEU . . . . . 0.427 HD21 ' CE2' ' A' ' 59' ' ' TYR . 33.7 mt -73.52 -39.39 64.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.569 179.773 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 129' ' ' TYR . . . . . 0.41 ' HA ' ' HG ' ' C' ' 48' ' ' LEU . 4.0 t80 -55.87 -42.07 75.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.271 179.641 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 130' ' ' ASP . . . . . 0.612 ' CG ' ' HA ' ' D' ' 82' ' ' LEU . 0.1 OUTLIER -76.24 -40.13 52.76 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.186 179.731 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' D' D ' 131' ' ' LYS . . . . . . . . . . . . . 4.3 tptt -54.48 -54.2 44.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.394 -179.262 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 132' ' ' ILE . . . . . 0.444 ' HB ' ' CD2' ' C' ' 48' ' ' LEU . 1.9 mt -74.11 -35.56 41.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.937 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 133' ' ' ASN . . . . . . . . . . . . . 47.5 t30 . . . . . 0 C--N 1.327 -0.404 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.985 -179.651 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.92 -39.89 94.2 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 179.067 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -78.79 -27.27 44.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.264 179.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.73 -32.23 41.13 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.515 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.2 p -75.08 -42.28 57.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.355 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.01 -37.16 75.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.242 179.565 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.4 ttm180 -74.98 -25.22 58.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.063 179.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.433 ' O ' HD21 ' B' ' 113' ' ' LEU . . . -78.46 -51.74 9.56 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.824 178.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.474 ' CD2' ' HB3' ' A' ' 44' ' ' PHE . 0.4 OUTLIER -64.5 -27.05 68.71 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.719 179.621 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 17.3 t-160 -72.72 -45.13 60.3 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 178.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.415 HD21 ' CE1' ' A' ' 21' ' ' TYR . 3.8 mt -63.01 -33.61 75.8 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.009 178.281 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.434 ' HB3' ' CG2' ' A' ' 37' ' ' ILE . 37.6 mt -62.41 -47.95 81.87 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.524 179.505 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.44 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 8.6 mt-10 -59.59 -39.48 84.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.818 179.704 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -74.72 -35.4 62.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.968 179.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.684 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 3.9 m-30 -66.1 -48.56 70.5 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.626 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.483 ' HB3' ' HB ' ' A' ' 37' ' ' ILE . 0.0 OUTLIER -63.99 -31.48 72.68 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 178.367 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.7 m -58.5 -45.82 87.98 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.421 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.632 ' HE2' ' HA ' ' A' ' 21' ' ' TYR . 0.0 OUTLIER -103.36 -4.18 24.52 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 120.568 -0.453 . . . . 0.0 111.475 -179.806 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.684 ' HB2' ' O ' ' A' ' 21' ' ' TYR . 0.1 OUTLIER -77.21 -59.41 2.79 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.023 0.439 . . . . 0.0 109.92 178.751 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.41 ' HB3' ' HB2' ' A' ' 34' ' ' ARG . 5.0 p -66.28 -158.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.848 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 57.72 32.87 22.51 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-O 120.955 0.407 . . . . 0.0 110.568 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.493 ' CG2' ' H ' ' A' ' 29' ' ' GLU . 4.1 t -153.08 -59.43 0.14 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.047 -179.6 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.493 ' H ' ' CG2' ' A' ' 28' ' ' THR . 20.3 pt-20 -173.62 28.28 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.603 -179.47 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.495 ' HB2' HD23 ' A' ' 25' ' ' LEU . 3.9 m-20 -145.84 46.16 1.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.853 0.359 . . . . 0.0 110.914 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.6 -54.83 42.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.283 0.563 . . . . 0.0 110.467 179.77 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -54.08 -46.52 72.06 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.858 178.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.407 ' CD2' ' HB3' ' B' ' 95' ' ' SER . 8.4 tp -53.66 -36.67 62.35 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.935 178.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.41 ' HB2' ' HB3' ' A' ' 26' ' ' SER . 15.5 ttp180 -60.61 -43.5 97.38 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.401 178.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.2 t -58.0 -35.58 71.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.303 179.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.475 ' O ' ' HG2' ' A' ' 39' ' ' ARG . 70.8 m -66.04 -51.04 61.82 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.052 0.453 . . . . 0.0 110.255 179.411 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.585 ' O ' HG12 ' A' ' 41' ' ' ILE . 30.4 mt -58.33 -41.22 80.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.773 179.075 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -65.7 -51.55 58.46 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.07 -0.968 . . . . 0.0 112.507 -179.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.727 ' HG3' ' HB2' ' B' ' 88' ' ' ALA . 8.1 ptp180 -55.87 -33.34 64.48 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.478 -0.489 . . . . 0.0 110.092 -179.504 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 86.4 t -66.19 -44.34 91.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 178.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.585 HG12 ' O ' ' A' ' 37' ' ' ILE . 17.1 mm -50.71 -53.04 14.68 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.263 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.199 179.318 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.1 t -59.49 -47.1 86.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.744 0.307 . . . . 0.0 110.75 -179.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 9.9 mt -59.72 -34.0 54.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 121.122 0.487 . . . . 0.0 109.953 179.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.474 ' HB3' ' CD2' ' A' ' 15' ' ' LEU . 2.8 m-85 -72.45 -56.47 5.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.017 179.279 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.507 ' HG3' ' O ' ' A' ' 41' ' ' ILE . 25.8 mt-30 -64.77 -25.92 68.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.515 -179.427 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.482 ' CB ' ' CE1' ' B' ' 129' ' ' TYR . 0.6 OUTLIER -33.86 122.81 0.46 Allowed 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.804 -179.312 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -50.2 -31.63 14.35 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.145 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.41 ' CD2' ' O ' ' B' ' 129' ' ' TYR . 1.9 tp -79.41 -42.84 24.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.721 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -51.12 -55.51 17.4 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.938 0.399 . . . . 0.0 110.744 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 35.3 mm-40 -59.63 -32.89 70.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.231 -0.44 . . . . 0.0 109.957 179.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.97 -45.94 89.32 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.256 179.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.419 ' CD1' ' N ' ' B' ' 129' ' ' TYR . 1.8 mt -61.34 -45.16 95.57 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.197 179.401 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 9.0 mt -53.42 -37.18 28.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.715 179.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.02 -35.64 66.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.493 179.496 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.443 HG22 ' CG ' ' A' ' 59' ' ' TYR . 75.1 mt -62.56 -42.04 94.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.695 179.649 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -52.88 -24.0 8.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.444 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -48.6 -29.49 4.35 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.328 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -154.87 25.36 0.44 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.481 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.443 ' CG ' HG22 ' A' ' 55' ' ' ILE . 46.4 m-85 -136.24 83.16 1.99 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.504 179.698 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -70.29 93.99 0.89 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.04 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -72.93 96.99 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.888 0.375 . . . . 0.0 110.908 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.2 m -81.22 110.54 16.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.492 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.424 HD11 ' CE2' ' C' ' 59' ' ' TYR . 0.1 OUTLIER -84.64 127.43 34.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.475 ' N ' ' CD2' ' A' ' 64' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.424 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.857 -179.775 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . 0.588 ' CD2' ' N ' ' B' ' 82' ' ' LEU . 0.3 OUTLIER . . . . . 0 CA--C 1.522 -0.106 0 CA-C-O 121.065 0.46 . . . . 0.0 110.805 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . 0.761 ' O ' ' HB3' ' B' ' 87' ' ' ARG . 0.2 OUTLIER -60.12 -50.91 71.82 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.302 -178.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . 0.572 ' H ' ' CD2' ' B' ' 83' ' ' LEU . . . -72.59 -23.45 60.95 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.461 -178.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 85' ' ' ALA . . . . . 0.53 ' CB ' ' HB3' ' B' ' 126' ' ' LEU . . . -52.59 -27.15 15.69 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.151 0.501 . . . . 0.0 109.938 179.449 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -125.21 -43.41 1.94 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.034 179.019 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 87' ' ' ARG . . . . . 0.761 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 12.0 ttt85 -57.74 -49.35 76.86 Favored 'General case' 0 CA--C 1.521 -0.144 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.086 179.14 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . 0.727 ' HB2' ' HG3' ' A' ' 39' ' ' ARG . . . -56.75 -49.36 75.47 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.587 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 89' ' ' VAL . . . . . 0.462 ' CG1' ' CD1' ' B' ' 117' ' ' PHE . 74.9 t -67.99 -28.89 42.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.018 178.669 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 43.6 t -76.06 -30.19 58.28 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.838 179.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 91' ' ' GLN . . . . . 0.551 ' HG3' ' O ' ' B' ' 87' ' ' ARG . 17.5 mt-30 -66.27 -52.95 42.44 Favored 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 109.327 -0.619 . . . . 0.0 109.327 179.209 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 10.5 t -66.94 -27.73 40.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.127 179.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 93' ' ' LEU . . . . . 0.601 HD23 ' HA ' ' B' ' 114' ' ' HIS . 3.1 mt -69.03 -36.87 78.23 Favored 'General case' 0 C--O 1.231 0.081 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.428 179.681 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -82.79 -34.8 26.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.934 0.397 . . . . 0.0 110.847 -179.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 95' ' ' SER . . . . . 0.407 ' HB3' ' CD2' ' A' ' 33' ' ' LEU . 4.7 m -79.34 -16.9 55.56 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.751 -179.76 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . 0.584 HD23 ' CD2' ' B' ' 110' ' ' LEU . 0.1 OUTLIER -37.71 -52.4 1.25 Allowed 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -179.337 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -66.65 -29.46 69.49 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.492 -179.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' B' ' 95' ' ' SER . 0.0 OUTLIER -72.36 -38.7 68.5 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 178.19 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 99' ' ' ILE . . . . . 0.46 HG12 ' CD1' ' A' ' 25' ' ' LEU . 23.0 mt -57.94 -47.18 87.13 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.727 0 CA-C-N 114.534 -1.212 . . . . 0.0 109.621 178.289 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 100' ' ' HIS . . . . . 0.508 ' HB2' ' CD1' ' B' ' 110' ' ' LEU . 13.7 t-160 -57.39 -39.69 76.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.904 0.859 . . . . 0.0 108.751 178.113 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -53.04 -40.77 64.2 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 114.013 -1.449 . . . . 0.0 111.921 179.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 102' ' ' LEU . . . . . 0.437 ' CD1' HD22 ' A' ' 25' ' ' LEU . 0.4 OUTLIER -123.33 34.14 5.18 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.135 0.791 . . . . 0.0 113.135 -177.272 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 103' ' ' THR . . . . . 0.458 ' HB ' ' NZ ' ' A' ' 24' ' ' LYS . 43.2 p -150.18 -35.37 0.16 Allowed 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.552 -0.459 . . . . 0.0 112.024 179.584 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 5.8 t0 75.99 27.43 0.93 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.147 0.499 . . . . 0.0 109.906 -178.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 105' ' ' SER . . . . . 0.424 ' HB3' ' CZ ' ' A' ' 21' ' ' TYR . 0.0 OUTLIER -59.62 -18.04 38.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.538 -0.756 . . . . 0.0 111.556 -179.793 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 1.6 p 77.16 125.78 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.484 -179.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . 0.486 ' HA ' ' HB2' ' B' ' 110' ' ' LEU . 0.3 OUTLIER -56.76 -20.65 23.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.425 -179.611 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 6.3 mmtt -62.53 -55.76 24.39 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.897 0.38 . . . . 0.0 110.454 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -66.46 -38.94 88.45 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.403 0.62 . . . . 0.0 109.374 178.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 110' ' ' LEU . . . . . 0.584 ' CD2' HD23 ' B' ' 96' ' ' LEU . 16.1 mt -61.57 -37.16 82.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.279 179.065 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 111' ' ' ASP . . . . . 0.472 ' HA ' ' HD2' ' B' ' 114' ' ' HIS . 10.5 t70 -66.21 -43.21 87.38 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.548 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -58.95 -38.39 78.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.553 179.654 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 113' ' ' LEU . . . . . 0.433 HD21 ' O ' ' A' ' 14' ' ' ALA . 0.5 OUTLIER -75.71 -29.57 59.0 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.161 -179.814 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 114' ' ' HIS . . . . . 0.601 ' HA ' HD23 ' B' ' 93' ' ' LEU . 0.0 OUTLIER -64.62 -34.34 78.04 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 178.515 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 48.4 t -77.24 -38.4 51.22 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.147 178.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 116' ' ' VAL . . . . . 0.406 HG13 ' CB ' ' A' ' 14' ' ' ALA . 24.1 t -61.14 -23.97 31.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.807 178.545 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 117' ' ' PHE . . . . . 0.462 ' CD1' ' CG1' ' B' ' 89' ' ' VAL . 22.8 m-85 -99.82 -37.23 9.15 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.233 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 118' ' ' GLN . . . . . 0.406 ' NE2' ' CD1' ' B' ' 93' ' ' LEU . 0.0 OUTLIER -60.63 -28.28 68.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.271 -179.49 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -46.11 116.83 1.34 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.481 -179.671 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -62.11 -39.43 92.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.731 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 121' ' ' HIS . . . . . 0.424 ' O ' ' HG ' ' B' ' 125' ' ' LEU . 8.4 m-70 -59.58 -35.38 74.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.66 179.718 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 43.9 tp -56.45 -49.18 75.33 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.491 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 123' ' ' HIS . . . . . 0.517 ' HA ' ' CD1' ' B' ' 126' ' ' LEU . 45.6 m-70 -53.45 -28.86 32.52 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.037 0.446 . . . . 0.0 110.014 179.128 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 124' ' ' THR . . . . . 0.411 ' O ' ' HG ' ' B' ' 128' ' ' LEU . 1.4 m -72.48 -37.09 68.56 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.806 -0.633 . . . . 0.0 109.339 178.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . 0.452 ' O ' ' HB3' ' B' ' 129' ' ' TYR . 3.2 mt -72.14 -33.47 67.79 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.628 178.638 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . 0.53 ' HB3' ' CB ' ' B' ' 85' ' ' ALA . 4.0 mt -72.9 -50.54 23.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.593 -0.731 . . . . 0.0 111.164 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 127' ' ' ASP . . . . . 0.401 ' O ' ' HB2' ' B' ' 131' ' ' LYS . 9.3 m-20 -61.09 -52.77 63.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.363 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . 0.431 HD23 ' CD2' ' C' ' 59' ' ' TYR . 28.0 mt -60.43 -40.64 91.84 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.535 -179.492 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 129' ' ' TYR . . . . . 0.482 ' CE1' ' CB ' ' A' ' 46' ' ' SER . 0.2 OUTLIER -56.62 -52.67 63.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.882 0.372 . . . . 0.0 111.608 -179.183 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 130' ' ' ASP . . . . . 0.449 ' HB2' ' CD2' ' B' ' 82' ' ' LEU . 0.0 OUTLIER -76.45 -33.25 58.75 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.364 -179.801 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 131' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' B' ' 127' ' ' ASP . 9.6 tmtm? -59.28 -42.37 91.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.647 0.26 . . . . 0.0 110.77 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 5.5 mt -75.21 -38.43 41.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.989 0.423 . . . . 0.0 110.005 179.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 133' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -70.12 -25.6 63.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.97 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 134' ' ' THR . . . . . 0.402 HG21 ' N ' ' B' ' 135' ' ' LYS . 1.2 t -82.03 -29.08 32.15 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.96 0.409 . . . . 0.0 110.846 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 135' ' ' LYS . . . . . 0.402 ' N ' HG21 ' B' ' 134' ' ' THR . 0.0 OUTLIER -69.07 -36.97 78.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.631 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 7' ' ' ARG . . . . . . . . . . . . . 21.6 ttm180 . . . . . 0 N--CA 1.456 -0.151 0 N-CA-C 110.473 -0.195 . . . . 0.0 110.473 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 9.1 mmmt -64.95 -40.01 94.37 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-O 121.196 0.522 . . . . 0.0 109.603 179.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -72.99 -30.58 63.91 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.483 178.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -78.0 -30.38 50.08 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.598 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -73.72 -38.33 64.84 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.432 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 12' ' ' GLN . . . . . 0.416 ' O ' ' CG ' ' C' ' 16' ' ' HIS . 0.6 OUTLIER -69.77 -43.26 72.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.193 179.449 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 9.3 ttm180 -68.05 -26.89 66.09 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.089 179.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 14' ' ' ALA . . . . . 0.474 ' O ' HD23 ' D' ' 113' ' ' LEU . . . -78.55 -54.62 5.95 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 178.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 15' ' ' LEU . . . . . 0.454 ' CD2' ' HB3' ' C' ' 44' ' ' PHE . 0.3 OUTLIER -64.11 -28.26 69.65 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.762 179.325 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' C' C ' 16' ' ' HIS . . . . . 0.416 ' CG ' ' O ' ' C' ' 12' ' ' GLN . 20.7 m170 -73.09 -43.5 61.71 Favored 'General case' 0 CA--C 1.519 -0.237 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 178.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . 0.416 HD23 ' CE1' ' C' ' 21' ' ' TYR . 2.4 mt -62.44 -38.13 88.54 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.737 178.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . 0.456 ' HB3' ' CG2' ' C' ' 37' ' ' ILE . 19.5 mt -63.36 -42.85 98.9 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.604 179.654 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 19' ' ' GLU . . . . . 0.417 ' O ' ' CG ' ' C' ' 22' ' ' ARG . 22.5 mt-10 -59.39 -43.04 93.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -71.3 -33.75 69.98 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.991 179.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 21' ' ' TYR . . . . . 0.664 ' O ' ' HB2' ' C' ' 25' ' ' LEU . 17.5 m-30 -66.32 -48.56 69.91 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.58 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 22' ' ' ARG . . . . . 0.435 ' HB2' ' CG ' ' C' ' 34' ' ' ARG . 9.0 ptt85 -56.68 -44.24 81.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.765 0.316 . . . . 0.0 110.419 179.318 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 23' ' ' SER . . . . . 0.419 ' O ' ' CG ' ' C' ' 27' ' ' GLN . 0.6 OUTLIER -58.83 -33.62 70.61 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.791 179.594 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' C' C ' 24' ' ' LYS . . . . . . . . . . . . . 9.7 ptmt -109.33 13.75 24.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.658 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 25' ' ' LEU . . . . . 0.664 ' HB2' ' O ' ' C' ' 21' ' ' TYR . 0.1 OUTLIER -109.56 -65.03 1.18 Allowed 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -178.62 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' C' C ' 26' ' ' SER . . . . . 0.552 ' HB2' ' HB2' ' C' ' 34' ' ' ARG . 0.0 OUTLIER -64.36 -21.82 66.75 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -177.927 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' C' C ' 27' ' ' GLN . . . . . 0.431 ' OE1' ' NH1' ' C' ' 31' ' ' ARG . 0.9 OUTLIER -73.77 55.78 0.54 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.812 0.339 . . . . 0.0 110.916 -179.517 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' C' C ' 28' ' ' THR . . . . . 0.454 HG21 ' HG2' ' C' ' 29' ' ' GLU . 1.4 t -174.75 -51.57 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.796 179.655 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 29' ' ' GLU . . . . . 0.454 ' HG2' HG21 ' C' ' 28' ' ' THR . 8.5 pt-20 -175.65 28.58 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -179.58 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 30' ' ' ASP . . . . . 0.445 ' CB ' HD22 ' C' ' 25' ' ' LEU . 0.4 OUTLIER -142.07 47.25 1.62 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.989 0.423 . . . . 0.0 111.596 -179.789 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . 0.447 ' HA ' ' HB2' ' C' ' 26' ' ' SER . 11.6 mmm180 -55.45 -52.06 64.87 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 121.189 0.519 . . . . 0.0 110.692 179.55 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.36 -47.63 72.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.15 179.401 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 33' ' ' LEU . . . . . 0.412 ' CD2' HD11 ' C' ' 25' ' ' LEU . 3.2 tp -52.94 -34.55 55.96 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.034 179.21 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 34' ' ' ARG . . . . . 0.552 ' HB2' ' HB2' ' C' ' 26' ' ' SER . 3.7 ttp180 -60.44 -47.83 84.39 Favored 'General case' 0 CA--C 1.513 -0.449 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 178.743 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.1 -34.96 61.56 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.164 -0.925 . . . . 0.0 109.897 179.253 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 36' ' ' SER . . . . . 0.439 ' HB3' ' CD ' ' D' ' 91' ' ' GLN . 1.1 m -69.59 -51.34 36.13 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.082 178.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 37' ' ' ILE . . . . . 0.631 ' O ' HG12 ' C' ' 41' ' ' ILE . 57.7 mt -56.82 -38.57 59.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.876 178.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -61.77 -52.54 63.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.645 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 39' ' ' ARG . . . . . 0.706 ' HG3' ' HB3' ' D' ' 88' ' ' ALA . 7.0 ptp85 -55.87 -34.64 65.67 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.594 -0.443 . . . . 0.0 109.903 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . 0.481 ' O ' ' HB2' ' C' ' 44' ' ' PHE . 95.8 t -68.39 -45.74 81.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 178.293 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 41' ' ' ILE . . . . . 0.631 HG12 ' O ' ' C' ' 37' ' ' ILE . 8.8 mm -55.17 -52.85 40.72 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.108 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.258 179.415 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 40.8 t -63.46 -48.9 75.77 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.859 0.361 . . . . 0.0 110.695 -179.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 43' ' ' ILE . . . . . 0.427 HG13 ' O ' ' C' ' 39' ' ' ARG . 20.6 mt -59.69 -33.16 51.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.126 179.417 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 44' ' ' PHE . . . . . 0.481 ' HB2' ' O ' ' C' ' 40' ' ' VAL . 1.3 m-85 -72.74 -57.57 4.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.621 179.513 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 45' ' ' GLN . . . . . 0.406 ' NE2' HG21 ' C' ' 41' ' ' ILE . 3.3 pt20 -78.44 -2.21 37.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.798 -178.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 46' ' ' SER . . . . . 0.485 ' CB ' ' CE1' ' D' ' 129' ' ' TYR . 0.6 OUTLIER -49.31 137.68 13.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.869 0.366 . . . . 0.0 111.068 -179.861 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -58.89 -34.06 71.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.051 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . 0.4 ' CD2' ' O ' ' D' ' 129' ' ' TYR . 1.9 tp -79.22 -43.83 23.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.074 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 49' ' ' PHE . . . . . 0.4 ' CG ' ' O ' ' C' ' 43' ' ' ILE . 44.5 t80 -51.24 -55.86 15.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.138 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 37.0 mm-40 -56.56 -32.74 65.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.851 0.358 . . . . 0.0 110.427 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.89 -47.33 86.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.618 179.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 52' ' ' LEU . . . . . 0.4 ' CD1' ' N ' ' D' ' 129' ' ' TYR . 1.5 mt -61.07 -44.41 97.42 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.365 179.531 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 16.4 mt -54.33 -38.6 40.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.594 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -67.37 -40.38 85.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.321 179.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 55' ' ' ILE . . . . . 0.416 ' CG2' ' HB2' ' C' ' 59' ' ' TYR . 61.8 mt -60.43 -37.89 76.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.642 179.512 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 56' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -53.39 -22.81 8.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.556 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 57' ' ' GLU . . . . . 0.411 ' O ' ' CD2' ' C' ' 58' ' ' PHE . 62.3 mt-10 -46.75 -32.06 3.38 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.64 0.257 . . . . 0.0 111.38 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 58' ' ' PHE . . . . . 0.411 ' CD2' ' O ' ' C' ' 57' ' ' GLU . 59.8 m-85 -157.77 28.52 0.27 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.35 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 59' ' ' TYR . . . . . 0.431 ' CD2' HD23 ' B' ' 128' ' ' LEU . 52.7 m-85 -135.33 81.04 1.87 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.77 179.646 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.14 90.79 0.89 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.723 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 61' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -72.8 96.87 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.185 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 62' ' ' THR . . . . . . . . . . . . . 2.8 m -78.73 118.21 20.59 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.177 179.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 63' ' ' LEU . . . . . 0.427 HD13 ' CZ ' ' A' ' 59' ' ' TYR . 0.2 OUTLIER -90.12 131.4 35.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.034 -179.761 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' C' C ' 64' ' ' LEU . . . . . 0.52 ' CD2' ' N ' ' C' ' 64' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.686 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 82' ' ' LEU . . . . . 0.532 ' CD2' ' N ' ' D' ' 82' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 83' ' ' LEU . . . . . 0.715 ' O ' ' HB3' ' D' ' 87' ' ' ARG . 0.1 OUTLIER -59.68 -54.21 49.06 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 114.519 -1.219 . . . . 0.0 111.198 -179.675 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' D' D ' 84' ' ' ALA . . . . . 0.593 ' H ' ' CD2' ' D' ' 83' ' ' LEU . . . -71.79 -23.29 61.55 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.158 -179.154 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 85' ' ' ALA . . . . . 0.546 ' CB ' ' HB3' ' D' ' 126' ' ' LEU . . . -52.46 -26.42 12.75 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 179.065 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 86' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -126.24 -39.25 2.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.237 178.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 87' ' ' ARG . . . . . 0.715 ' HB3' ' O ' ' D' ' 83' ' ' LEU . 12.9 ttt180 -64.92 -37.74 88.65 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.656 179.56 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 88' ' ' ALA . . . . . 0.706 ' HB3' ' HG3' ' C' ' 39' ' ' ARG . . . -68.54 -45.14 72.97 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.046 -179.615 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 89' ' ' VAL . . . . . 0.474 ' CG1' ' HB3' ' D' ' 117' ' ' PHE . 25.2 t -76.99 -31.84 19.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.694 179.496 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 90' ' ' SER . . . . . 0.418 ' HA ' ' HB2' ' D' ' 93' ' ' LEU . 45.7 t -76.1 -42.28 47.67 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.067 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 91' ' ' GLN . . . . . 0.439 ' CD ' ' HB3' ' C' ' 36' ' ' SER . 7.8 pt20 -64.68 -49.07 72.39 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 179.62 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 92' ' ' VAL . . . . . . . . . . . . . 47.3 t -65.1 -27.87 43.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.265 177.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 93' ' ' LEU . . . . . 0.646 HD22 ' HA ' ' D' ' 114' ' ' HIS . 1.5 mt -60.64 -43.04 98.04 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.202 179.35 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -75.19 -31.73 61.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.529 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 95' ' ' SER . . . . . 0.411 ' O ' HG13 ' D' ' 99' ' ' ILE . 0.8 OUTLIER -79.04 -23.97 43.92 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.41 -179.877 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' D' D ' 96' ' ' LEU . . . . . 0.448 ' O ' ' HB ' ' D' ' 99' ' ' ILE . 0.2 OUTLIER -37.95 -52.61 1.36 Allowed 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 -179.583 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' D' D ' 97' ' ' GLU . . . . . 0.4 ' HA ' HD11 ' D' ' 110' ' ' LEU . 62.7 mt-10 -68.08 -28.96 67.81 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.373 -179.261 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 98' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' D' ' 95' ' ' SER . 0.1 OUTLIER -70.2 -36.2 74.45 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 177.896 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' D' D ' 99' ' ' ILE . . . . . 0.471 HG12 ' CD1' ' C' ' 25' ' ' LEU . 26.5 mt -60.04 -48.54 87.5 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.79 0 CA-C-N 114.505 -1.225 . . . . 0.0 110.011 178.567 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 100' ' ' HIS . . . . . 0.495 ' HB2' ' CD1' ' D' ' 110' ' ' LEU . 1.9 t-160 -57.8 -35.84 71.38 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 178.376 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.52 -43.77 72.18 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.585 -1.189 . . . . 0.0 111.79 179.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 102' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.7 32.55 6.09 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.672 -0.694 . . . . 0.0 112.553 -177.648 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 103' ' ' THR . . . . . 0.437 HG23 ' O ' ' D' ' 99' ' ' ILE . 36.6 p -148.46 -33.2 0.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.894 -0.322 . . . . 0.0 111.803 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 1.5 t0 74.17 25.87 1.73 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.982 0.42 . . . . 0.0 110.531 -179.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 105' ' ' SER . . . . . 0.432 ' HB3' ' CZ ' ' C' ' 21' ' ' TYR . 72.7 m -64.18 -13.22 47.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.292 179.768 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 106' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' D' ' 105' ' ' SER . 4.0 t 81.81 123.02 0.04 OUTLIER 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.988 0.423 . . . . 0.0 111.085 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -54.1 -27.03 30.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.91 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.28 -54.97 36.84 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.968 0.414 . . . . 0.0 110.301 179.556 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 109' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -63.13 -38.76 92.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.732 178.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 110' ' ' LEU . . . . . 0.495 ' CD1' ' HB2' ' D' ' 100' ' ' HIS . 17.8 mt -60.25 -38.14 82.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.32 179.255 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 111' ' ' ASP . . . . . 0.46 ' HA ' ' HD2' ' D' ' 114' ' ' HIS . 61.4 m-20 -64.99 -45.85 83.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.843 -179.675 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 112' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -58.74 -35.26 72.42 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.375 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 113' ' ' LEU . . . . . 0.474 HD23 ' O ' ' C' ' 14' ' ' ALA . 0.5 OUTLIER -78.26 -28.59 47.74 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' D' D ' 114' ' ' HIS . . . . . 0.646 ' HA ' HD22 ' D' ' 93' ' ' LEU . 0.0 OUTLIER -63.76 -35.27 80.04 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 178.282 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' D' D ' 115' ' ' SER . . . . . . . . . . . . . 27.6 t -74.32 -38.77 63.21 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 178.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 116' ' ' VAL . . . . . 0.404 ' O ' ' CD2' ' D' ' 122' ' ' LEU . 44.0 t -63.45 -23.28 32.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.272 -0.876 . . . . 0.0 109.639 178.272 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 117' ' ' PHE . . . . . 0.474 ' HB3' ' CG1' ' D' ' 89' ' ' VAL . 12.1 m-30 -103.25 -19.6 14.42 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.45 -179.597 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 118' ' ' GLN . . . . . 0.405 ' NE2' ' CD1' ' D' ' 93' ' ' LEU . 0.0 OUTLIER -79.74 -26.92 40.61 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.66 0.267 . . . . 0.0 111.402 -179.557 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -43.14 118.11 1.23 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.711 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 120' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -63.9 -49.19 73.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.633 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 121' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -55.77 -33.74 64.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.58 179.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 122' ' ' LEU . . . . . 0.404 ' CD2' ' O ' ' D' ' 116' ' ' VAL . 31.1 tp -55.55 -46.27 77.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.333 179.692 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 123' ' ' HIS . . . . . 0.526 ' HA ' ' CD1' ' D' ' 126' ' ' LEU . 0.0 OUTLIER -54.85 -27.1 39.78 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 178.859 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' D' D ' 124' ' ' THR . . . . . 0.44 ' N ' ' CD2' ' D' ' 123' ' ' HIS . 1.9 m -74.1 -36.13 64.23 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.16 178.561 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 125' ' ' LEU . . . . . . . . . . . . . 5.0 mt -73.15 -33.5 65.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.496 -0.774 . . . . 0.0 109.619 178.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 126' ' ' LEU . . . . . 0.546 ' HB3' ' CB ' ' D' ' 85' ' ' ALA . 3.4 mt -73.39 -47.79 39.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.09 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 127' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -64.73 -47.03 79.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.062 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 128' ' ' LEU . . . . . 0.425 HD23 ' CD2' ' A' ' 59' ' ' TYR . 63.4 mt -65.86 -34.71 78.76 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.021 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 129' ' ' TYR . . . . . 0.485 ' CE1' ' CB ' ' C' ' 46' ' ' SER . 0.2 OUTLIER -62.06 -52.1 65.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.932 0.396 . . . . 0.0 111.06 -179.444 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' D' D ' 130' ' ' ASP . . . . . 0.454 ' CB ' HD21 ' D' ' 82' ' ' LEU . 13.7 m-20 -76.06 -17.58 59.58 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.127 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.9 -51.16 23.57 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.827 0.346 . . . . 0.0 110.668 179.775 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 132' ' ' ILE . . . . . . . . . . . . . 3.1 mt -72.36 -36.93 56.63 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 CA-C-O 121.049 0.452 . . . . 0.0 110.576 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 133' ' ' ASN . . . . . . . . . . . . . 30.5 t30 . . . . . 0 N--CA 1.452 -0.37 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.772 -179.93 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 10.4 ttm180 . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.581 0.229 . . . . 0.0 110.427 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -65.12 -37.11 86.41 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 121.231 0.538 . . . . 0.0 109.744 179.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -77.98 -27.23 49.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.171 179.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -81.49 -32.25 32.55 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.551 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 66.5 p -74.29 -38.86 63.26 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.189 179.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -71.76 -42.74 66.84 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.535 179.622 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.3 ttt180 -71.79 -23.94 61.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.96 179.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.44 ' O ' HD23 ' B' ' 113' ' ' LEU . . . -78.64 -53.17 7.45 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.736 179.107 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.531 ' CD2' ' HB3' ' A' ' 44' ' ' PHE . 0.6 OUTLIER -63.67 -26.29 68.6 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.888 179.591 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.5 m170 -73.34 -47.97 38.07 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 178.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.452 ' CD2' ' CE1' ' A' ' 21' ' ' TYR . 1.4 mt -60.64 -37.73 82.45 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.595 -0.729 . . . . 0.0 109.449 178.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.443 ' CB ' ' CD1' ' A' ' 41' ' ' ILE . 18.7 mt -59.17 -46.83 87.36 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.069 -0.969 . . . . 0.0 110.684 179.447 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -57.92 -45.22 86.88 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.031 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -71.67 -34.99 70.18 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.139 0.495 . . . . 0.0 110.081 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.644 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 4.9 m-30 -64.61 -47.31 79.07 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.6 179.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.45 ' HG3' ' N ' ' A' ' 23' ' ' SER . 19.4 ptt180 -61.24 -41.94 97.75 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.775 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.45 ' N ' ' HG3' ' A' ' 22' ' ' ARG . 38.9 m -60.12 -35.27 74.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.587 179.601 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.5 ptmt -100.78 0.98 39.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.437 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.644 ' HB2' ' O ' ' A' ' 21' ' ' TYR . 0.4 OUTLIER -90.64 -67.99 0.82 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.83 0.347 . . . . 0.0 111.128 -179.757 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.541 ' HB2' ' HB2' ' A' ' 34' ' ' ARG . 33.8 t -62.98 -151.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.663 -179.535 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 57.51 24.07 9.88 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-O 121.157 0.503 . . . . 0.0 110.002 -179.343 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.46 ' CG2' ' H ' ' A' ' 29' ' ' GLU . 6.6 t -149.52 -55.17 0.18 Allowed 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.814 -179.178 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.46 ' H ' ' CG2' ' A' ' 28' ' ' THR . 13.4 pt-20 -175.56 27.84 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.655 -179.441 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.502 ' HB2' HD22 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -143.2 59.12 1.41 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.91 0.386 . . . . 0.0 110.944 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.7 mmm180 -68.45 -53.04 26.12 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.102 0.477 . . . . 0.0 109.831 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -60.67 -46.1 91.64 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.56 178.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.436 HD21 ' HB3' ' B' ' 95' ' ' SER . 9.1 tp -51.66 -38.77 56.41 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.058 178.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.541 ' HB2' ' HB2' ' A' ' 26' ' ' SER . 5.2 ttp180 -60.56 -45.2 94.81 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.284 178.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.498 ' HA ' ' HG2' ' A' ' 38' ' ' GLU . 13.6 m -55.86 -33.17 64.31 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.006 179.56 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.451 ' O ' ' HG2' ' A' ' 39' ' ' ARG . 0.7 OUTLIER -71.8 -41.82 67.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.163 0.506 . . . . 0.0 110.572 179.752 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.639 ' O ' HG12 ' A' ' 41' ' ' ILE . 9.6 mt -62.15 -46.94 95.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.545 179.24 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.498 ' HG2' ' HA ' ' A' ' 35' ' ' SER . 7.9 pt-20 -63.46 -43.22 98.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.176 -179.16 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.452 ' HG3' ' HB3' ' B' ' 88' ' ' ALA . 6.6 ptp85 -57.8 -40.21 79.37 Favored 'General case' 0 CA--C 1.52 -0.202 0 C-N-CA 120.203 -0.599 . . . . 0.0 109.589 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.428 HG12 ' CD2' ' A' ' 44' ' ' PHE . 39.7 t -63.66 -34.48 68.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 178.1 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.639 HG12 ' O ' ' A' ' 37' ' ' ILE . 27.5 mm -60.83 -63.12 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.355 179.32 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.2 p -54.38 -46.35 73.03 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-O 121.057 0.455 . . . . 0.0 110.484 -179.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.495 HG23 ' CD2' ' B' ' 129' ' ' TYR . 8.0 mt -59.78 -33.81 53.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.883 178.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.531 ' HB3' ' CD2' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -72.13 -59.62 2.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.843 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.424 ' HG2' ' O ' ' A' ' 41' ' ' ILE . 6.6 pt20 -76.25 -2.69 32.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.811 -178.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.411 ' OG ' ' CE1' ' B' ' 129' ' ' TYR . 0.3 OUTLIER -48.47 135.3 14.35 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.868 0.366 . . . . 0.0 111.023 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -53.79 -36.47 62.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.399 -179.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.403 ' HG ' ' HA ' ' B' ' 129' ' ' TYR . 3.3 tp -79.24 -42.8 25.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.231 -179.614 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -50.97 -55.99 14.63 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.661 0.267 . . . . 0.0 111.218 -179.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -57.89 -39.03 76.9 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.875 0.369 . . . . 0.0 110.479 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.63 -40.23 82.76 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.19 179.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.436 ' CD1' ' N ' ' B' ' 129' ' ' TYR . 1.1 mt -64.24 -44.74 90.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.85 178.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 47.5 mt -54.87 -33.44 28.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.247 179.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -71.25 -39.48 71.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.97 179.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.409 ' CG2' ' HB2' ' A' ' 59' ' ' TYR . 91.8 mt -59.45 -47.58 90.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.502 179.442 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.83 -22.99 16.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.376 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -49.71 -39.31 36.54 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.127 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.441 ' HA ' ' HG ' ' C' ' 64' ' ' LEU . 26.9 m-85 -141.99 15.2 2.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.636 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.461 ' CE2' ' CD1' ' C' ' 63' ' ' LEU . 9.2 m-85 -134.35 75.57 1.59 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.598 179.639 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.41 ' HB2' ' HB ' ' C' ' 62' ' ' THR . 60.0 mt-10 -60.03 106.31 0.49 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.751 0.31 . . . . 0.0 110.595 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -72.51 97.12 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.948 0.404 . . . . 0.0 110.971 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.476 ' HB ' ' HB2' ' C' ' 60' ' ' GLU . 8.7 m -79.63 112.06 16.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.582 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.45 ' CD1' ' CE2' ' C' ' 59' ' ' TYR . 0.1 OUTLIER -89.33 126.05 35.37 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.716 179.888 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.524 ' CD2' ' N ' ' A' ' 64' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.424 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.502 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . 0.619 ' CD2' ' N ' ' B' ' 82' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.982 0.42 . . . . 0.0 110.482 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . 0.663 ' O ' ' HB3' ' B' ' 87' ' ' ARG . 0.3 OUTLIER -59.81 -46.05 90.43 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.692 -179.619 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . 0.745 ' O ' ' HB1' ' B' ' 88' ' ' ALA . . . -80.14 -5.75 56.53 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.247 -179.446 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 85' ' ' ALA . . . . . 0.47 ' CB ' ' HB2' ' B' ' 126' ' ' LEU . . . -74.5 14.87 0.41 Allowed 'General case' 0 N--CA 1.449 -0.482 0 CA-C-O 121.44 0.638 . . . . 0.0 110.017 178.46 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . 0.532 ' H ' ' C ' ' B' ' 84' ' ' ALA . 8.3 tt0 -167.71 -39.51 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.016 -0.993 . . . . 0.0 108.418 179.634 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 87' ' ' ARG . . . . . 0.663 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 9.3 ttt-85 -67.77 -41.07 83.85 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.658 178.26 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . 0.745 ' HB1' ' O ' ' B' ' 84' ' ' ALA . . . -67.26 -48.59 67.26 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.571 179.712 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 89' ' ' VAL . . . . . 0.462 HG13 ' CG ' ' B' ' 117' ' ' PHE . 16.0 t -66.27 -43.7 91.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.411 179.408 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 90' ' ' SER . . . . . 0.436 ' HA ' ' HB2' ' B' ' 93' ' ' LEU . 67.6 m -72.28 -21.96 61.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.638 179.199 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 91' ' ' GLN . . . . . 0.444 ' HB3' ' HB3' ' A' ' 36' ' ' SER . 3.5 mt-30 -66.34 -57.16 8.06 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-O 121.384 0.611 . . . . 0.0 109.795 179.454 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 92' ' ' VAL . . . . . 0.473 HG23 ' HA ' ' A' ' 37' ' ' ILE . 5.1 t -66.51 -27.82 41.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.169 179.152 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 93' ' ' LEU . . . . . 0.621 HD21 ' HA ' ' B' ' 114' ' ' HIS . 0.7 OUTLIER -68.21 -30.61 69.72 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.878 179.486 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.9 -42.51 21.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.994 0.426 . . . . 0.0 110.894 -179.646 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 95' ' ' SER . . . . . 0.436 ' HB3' HD21 ' A' ' 33' ' ' LEU . 0.8 OUTLIER -79.75 -13.11 59.68 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.081 -179.557 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . 0.515 ' O ' ' HB ' ' B' ' 99' ' ' ILE . 0.2 OUTLIER -39.21 -50.79 1.96 Allowed 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -179.248 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -68.0 -31.56 71.35 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.936 0.398 . . . . 0.0 111.102 -179.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.38 -37.41 80.37 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 178.072 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 99' ' ' ILE . . . . . 0.55 HG12 ' CD1' ' A' ' 25' ' ' LEU . 27.8 mt -57.84 -49.37 81.24 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.757 0 CA-C-N 114.146 -1.388 . . . . 0.0 110.337 178.811 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 100' ' ' HIS . . . . . 0.585 ' HB2' ' CD1' ' B' ' 110' ' ' LEU . 11.5 t-160 -56.12 -40.16 73.33 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-O 121.881 0.848 . . . . 0.0 108.766 178.673 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -52.04 -41.37 62.23 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.087 -1.415 . . . . 0.0 111.821 179.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 102' ' ' LEU . . . . . 0.424 HD13 ' CD2' ' A' ' 25' ' ' LEU . 0.4 OUTLIER -123.69 35.9 4.75 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 113.087 0.773 . . . . 0.0 113.087 -177.282 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 103' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' B' ' 99' ' ' ILE . 43.6 p -152.17 -31.77 0.15 Allowed 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 179.405 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 73.4 25.49 2.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.102 0.477 . . . . 0.0 110.175 -179.123 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 105' ' ' SER . . . . . 0.451 ' CB ' ' CZ ' ' A' ' 21' ' ' TYR . 0.1 OUTLIER -60.34 -19.24 54.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.322 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 106' ' ' SER . . . . . 0.419 ' HA ' ' CE1' ' B' ' 100' ' ' HIS . 4.5 t 78.06 129.84 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.915 0.388 . . . . 0.0 110.641 -179.555 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . 0.414 ' HA ' HD13 ' B' ' 110' ' ' LEU . 1.0 OUTLIER -56.84 -21.55 29.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.142 -179.703 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -61.89 -55.4 30.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.092 0.472 . . . . 0.0 110.21 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -63.8 -35.25 79.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.994 179.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 110' ' ' LEU . . . . . 0.585 ' CD1' ' HB2' ' B' ' 100' ' ' HIS . 42.2 mt -65.53 -41.61 92.92 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.414 179.247 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -59.95 -43.39 95.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.575 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -60.51 -47.25 86.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.409 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 113' ' ' LEU . . . . . 0.44 HD23 ' O ' ' A' ' 14' ' ' ALA . 0.5 OUTLIER -71.11 -29.91 65.85 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.177 179.368 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 114' ' ' HIS . . . . . 0.654 ' O ' ' HG2' ' B' ' 118' ' ' GLN . 70.7 t60 -58.49 -45.29 89.0 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 178.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 115' ' ' SER . . . . . 0.502 ' HA ' ' HG2' ' B' ' 118' ' ' GLN . 45.0 m -74.2 -35.0 63.91 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.746 178.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 116' ' ' VAL . . . . . 0.468 HG13 ' CE1' ' B' ' 117' ' ' PHE . 53.4 t -56.79 -24.98 20.84 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.328 178.234 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 117' ' ' PHE . . . . . 0.468 ' CE1' HG13 ' B' ' 116' ' ' VAL . 11.2 m-30 -106.07 -13.82 15.35 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.91 179.681 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 118' ' ' GLN . . . . . 0.654 ' HG2' ' O ' ' B' ' 114' ' ' HIS . 3.7 mm-40 -67.59 -44.37 78.31 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.969 0.414 . . . . 0.0 110.666 179.234 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -38.93 131.78 1.34 Allowed 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.345 -178.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -76.26 -44.12 38.71 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.357 179.45 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 15.7 m-70 -56.04 -33.74 65.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.136 179.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . 0.405 ' O ' HD11 ' B' ' 126' ' ' LEU . 47.1 tp -55.66 -43.92 76.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.73 179.254 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 123' ' ' HIS . . . . . 0.698 ' HA ' ' CD1' ' B' ' 126' ' ' LEU . 31.8 m170 -56.45 -27.56 57.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.997 178.629 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 124' ' ' THR . . . . . 0.405 HG21 ' CD1' ' B' ' 128' ' ' LEU . 6.5 m -77.38 -31.42 54.25 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.299 179.449 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 18.7 mt -67.82 -40.88 83.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.912 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . 0.698 ' CD1' ' HA ' ' B' ' 123' ' ' HIS . 0.3 OUTLIER -72.93 -44.35 61.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.139 -179.768 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -59.47 -50.12 75.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.109 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . 0.423 HD21 ' CD2' ' C' ' 59' ' ' TYR . 31.9 mt -64.13 -42.69 96.74 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.118 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 129' ' ' TYR . . . . . 0.495 ' CD2' HG23 ' A' ' 43' ' ' ILE . 0.4 OUTLIER -55.88 -51.04 68.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.301 -179.312 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 130' ' ' ASP . . . . . 0.433 ' CB ' HD23 ' B' ' 82' ' ' LEU . 11.9 m-20 -75.14 -19.42 59.89 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.295 -179.597 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.73 -51.27 19.9 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.82 0.343 . . . . 0.0 110.615 179.719 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 132' ' ' ILE . . . . . 0.402 ' HB ' ' CD2' ' A' ' 48' ' ' LEU . 2.4 mt -70.54 -35.48 61.78 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 CA-C-O 121.18 0.514 . . . . 0.0 110.357 179.547 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 133' ' ' ASN . . . . . . . . . . . . . 44.7 t-20 -61.49 -24.96 66.95 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.459 -0.792 . . . . 0.0 111.105 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 134' ' ' THR . . . . . 0.451 ' O ' ' CB ' ' B' ' 135' ' ' LYS . 0.5 OUTLIER -81.27 3.91 22.32 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.207 -179.927 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 135' ' ' LYS . . . . . 0.451 ' CB ' ' O ' ' B' ' 134' ' ' THR . 5.8 mttp 86.69 -20.22 0.24 Allowed 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 122.622 0.369 . . . . 0.0 111.693 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.268 0 CA-C-O 120.788 0.328 . . . . 0.0 110.892 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.234 0 CA-C-O 120.776 0.322 . . . . 0.0 110.286 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -62.33 -35.86 80.39 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-O 121.133 0.492 . . . . 0.0 109.85 179.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 57.3 mm-40 -76.76 -27.34 55.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.095 179.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -79.74 -33.19 40.99 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.516 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 3.1 p -74.05 -40.22 62.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.448 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -71.71 -37.82 70.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.307 179.564 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.61 -25.65 59.38 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.052 179.09 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 14' ' ' ALA . . . . . 0.426 ' O ' HD21 ' D' ' 113' ' ' LEU . . . -78.69 -50.21 11.81 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.755 179.069 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 15' ' ' LEU . . . . . 0.517 ' CD2' ' HB3' ' C' ' 44' ' ' PHE . 0.4 OUTLIER -64.81 -28.29 69.47 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.782 179.617 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' C' C ' 16' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -73.16 -45.76 54.71 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 178.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . 0.435 HD21 ' CE1' ' C' ' 21' ' ' TYR . 1.6 mt -62.24 -36.1 80.96 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.193 178.343 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . 0.432 ' HB3' ' CG2' ' C' ' 37' ' ' ILE . 26.9 mt -62.29 -43.76 98.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.755 -1.111 . . . . 0.0 110.833 179.625 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -63.05 -38.57 91.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.811 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -74.1 -35.81 64.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.256 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 21' ' ' TYR . . . . . 0.612 ' O ' ' HB2' ' C' ' 25' ' ' LEU . 14.2 m-30 -69.51 -46.32 66.82 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.02 179.501 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 22' ' ' ARG . . . . . 0.442 ' CG ' ' HG2' ' C' ' 34' ' ' ARG . 1.1 ttt-85 -55.07 -51.05 67.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.825 179.676 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 38.0 m -56.37 -43.67 79.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.776 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 24' ' ' LYS . . . . . . . . . . . . . 8.6 ptmt -89.49 3.87 50.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.548 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 25' ' ' LEU . . . . . 0.612 ' HB2' ' O ' ' C' ' 21' ' ' TYR . 0.3 OUTLIER -92.35 -68.75 0.78 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.864 0.364 . . . . 0.0 111.301 -179.755 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' C' C ' 26' ' ' SER . . . . . 0.504 ' HB2' ' HB2' ' C' ' 34' ' ' ARG . 30.1 t -62.42 -150.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.907 -179.232 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 27' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 57.51 24.23 10.08 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 121.104 0.478 . . . . 0.0 109.991 -179.276 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 28' ' ' THR . . . . . 0.463 ' CG2' ' H ' ' C' ' 29' ' ' GLU . 6.5 t -149.73 -56.19 0.18 Allowed 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.892 -179.343 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 29' ' ' GLU . . . . . 0.463 ' H ' ' CG2' ' C' ' 28' ' ' THR . 13.1 pt-20 -176.67 28.47 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.629 -179.524 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 30' ' ' ASP . . . . . 0.442 ' CB ' HD21 ' C' ' 25' ' ' LEU . 4.9 m-20 -141.53 54.14 1.52 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.029 0.443 . . . . 0.0 111.089 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.51 -52.96 48.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.082 179.56 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 -56.89 -53.03 62.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.848 179.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 33' ' ' LEU . . . . . 0.429 HD12 ' CB ' ' D' ' 95' ' ' SER . 10.0 tp -51.03 -33.53 25.69 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.882 178.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 34' ' ' ARG . . . . . 0.504 ' HB2' ' HB2' ' C' ' 26' ' ' SER . 9.1 ttp180 -60.54 -45.98 91.87 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.524 178.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 1.8 m -59.58 -33.05 70.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.42 179.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 36' ' ' SER . . . . . 0.506 ' CB ' ' NE2' ' D' ' 91' ' ' GLN . 58.8 m -65.78 -51.29 60.25 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.965 0.412 . . . . 0.0 110.799 179.765 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 37' ' ' ILE . . . . . 0.623 ' O ' HG12 ' C' ' 41' ' ' ILE . 33.3 mt -57.83 -41.18 79.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.291 0.567 . . . . 0.0 109.892 179.184 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.37 -52.14 66.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 114.943 -1.026 . . . . 0.0 111.962 -179.689 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 39' ' ' ARG . . . . . 0.587 ' HG3' ' HB1' ' D' ' 88' ' ' ALA . 4.7 ptp180 -55.91 -42.08 75.49 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.403 -179.566 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . 0.436 HG11 ' CD2' ' C' ' 44' ' ' PHE . 78.7 t -60.81 -33.13 54.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 178.474 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 41' ' ' ILE . . . . . 0.623 HG12 ' O ' ' C' ' 37' ' ' ILE . 13.2 mm -61.98 -60.62 2.42 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.142 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 179.411 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 19.7 p -58.0 -45.88 86.12 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.642 -179.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 43' ' ' ILE . . . . . 0.439 HD11 HG23 ' C' ' 43' ' ' ILE . 12.7 mt -59.62 -33.81 53.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.866 179.244 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 44' ' ' PHE . . . . . 0.517 ' HB3' ' CD2' ' C' ' 15' ' ' LEU . 0.2 OUTLIER -72.54 -59.13 2.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.581 179.686 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' C' C ' 45' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -73.64 -6.58 47.63 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.103 -178.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 46' ' ' SER . . . . . 0.49 ' CB ' ' CE1' ' D' ' 129' ' ' TYR . 0.2 OUTLIER -48.81 135.63 14.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.771 0.32 . . . . 0.0 111.034 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -56.43 -29.47 61.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.299 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . 0.476 ' CD2' ' O ' ' D' ' 129' ' ' TYR . 3.5 tp -79.4 -40.72 29.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.934 0.397 . . . . 0.0 110.754 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 49' ' ' PHE . . . . . 0.602 ' O ' HD22 ' C' ' 52' ' ' LEU . 7.2 t80 -53.48 -31.77 47.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.213 0.53 . . . . 0.0 110.5 179.467 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -74.55 -25.64 59.44 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 178.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.58 -53.85 29.95 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 115.35 -0.841 . . . . 0.0 112.298 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 52' ' ' LEU . . . . . 0.602 HD22 ' O ' ' C' ' 49' ' ' PHE . 0.0 OUTLIER -72.72 -32.79 65.99 Favored 'General case' 0 N--CA 1.462 0.162 0 C-N-CA 119.593 -0.843 . . . . 0.0 111.103 -179.702 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' C' C ' 53' ' ' ILE . . . . . 0.497 HG13 ' O ' ' C' ' 49' ' ' PHE . 56.3 mt -60.71 -37.18 75.21 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.249 178.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -73.03 -42.2 63.4 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.669 179.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 55' ' ' ILE . . . . . 0.433 ' CG2' ' HB2' ' C' ' 59' ' ' TYR . 60.5 mt -57.68 -33.98 46.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.768 179.718 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 56' ' ' GLN . . . . . 0.411 ' HG3' ' CD2' ' D' ' 125' ' ' LEU . 3.3 mt-30 -53.37 -21.85 6.49 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.723 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 57' ' ' GLU . . . . . 0.407 ' O ' ' CD2' ' C' ' 58' ' ' PHE . 45.5 mt-10 -43.89 -38.01 3.15 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.736 0.303 . . . . 0.0 111.517 -179.69 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 58' ' ' PHE . . . . . 0.407 ' CD2' ' O ' ' C' ' 57' ' ' GLU . 81.5 m-85 -158.12 35.61 0.25 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.428 -179.792 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 59' ' ' TYR . . . . . 0.45 ' CE2' ' CD1' ' A' ' 63' ' ' LEU . 23.1 m-85 -137.4 80.18 1.79 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.754 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 60' ' ' GLU . . . . . 0.476 ' HB2' ' HB ' ' A' ' 62' ' ' THR . 37.5 mt-10 -72.33 99.34 2.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.813 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 61' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -72.86 96.78 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 CA-C-O 120.906 0.384 . . . . 0.0 110.922 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 62' ' ' THR . . . . . 0.41 ' HB ' ' HB2' ' A' ' 60' ' ' GLU . 2.7 m -73.63 118.38 16.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.498 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 63' ' ' LEU . . . . . 0.461 ' CD1' ' CE2' ' A' ' 59' ' ' TYR . 0.1 OUTLIER -89.49 124.62 34.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.0 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' C' C ' 64' ' ' LEU . . . . . 0.503 ' CD2' ' N ' ' C' ' 64' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.395 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.382 179.639 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 82' ' ' LEU . . . . . 0.462 ' HB3' ' CB ' ' D' ' 130' ' ' ASP . 3.1 pp . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 83' ' ' LEU . . . . . 0.711 ' O ' ' HB3' ' D' ' 87' ' ' ARG . 0.6 OUTLIER -62.21 -44.24 97.01 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.821 179.046 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' D' D ' 84' ' ' ALA . . . . . 0.576 ' H ' ' CD2' ' D' ' 83' ' ' LEU . . . -71.6 -26.02 62.41 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 114.799 -1.091 . . . . 0.0 110.579 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 85' ' ' ALA . . . . . 0.475 ' CB ' ' CB ' ' D' ' 126' ' ' LEU . . . -52.46 -26.55 13.16 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.175 179.607 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 86' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -123.18 -44.18 2.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.648 178.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 87' ' ' ARG . . . . . 0.711 ' HB3' ' O ' ' D' ' 83' ' ' LEU . 27.4 ttt85 -57.91 -54.76 43.23 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.98 178.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 88' ' ' ALA . . . . . 0.635 ' HA ' ' NE2' ' D' ' 91' ' ' GLN . . . -56.95 -44.29 82.4 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.976 -1.011 . . . . 0.0 111.18 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 89' ' ' VAL . . . . . 0.504 HG12 ' CD1' ' D' ' 117' ' ' PHE . 53.1 t -61.49 -32.18 52.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.716 179.738 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 31.0 t -76.21 -28.35 57.18 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.469 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 91' ' ' GLN . . . . . 0.648 ' HG3' ' O ' ' D' ' 87' ' ' ARG . 3.6 mt-30 -71.39 -51.42 24.17 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-O 121.16 0.505 . . . . 0.0 109.805 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 92' ' ' VAL . . . . . 0.427 ' CG1' ' CD2' ' C' ' 18' ' ' LEU . 3.8 t -67.75 -28.13 40.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.103 179.317 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 93' ' ' LEU . . . . . 0.607 HD22 ' HA ' ' D' ' 114' ' ' HIS . 2.1 mt -66.81 -41.18 87.95 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.187 179.665 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.85 -30.82 28.38 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.977 0.418 . . . . 0.0 110.918 -179.633 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 95' ' ' SER . . . . . 0.429 ' CB ' HD12 ' C' ' 33' ' ' LEU . 15.4 m -80.27 -25.54 39.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.966 -0.561 . . . . 0.0 112.087 -179.361 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 96' ' ' LEU . . . . . 0.484 ' O ' ' HB ' ' D' ' 99' ' ' ILE . 0.2 OUTLIER -38.06 -52.2 1.4 Allowed 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -179.002 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 63.0 mt-10 -69.36 -29.07 66.79 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.912 0.387 . . . . 0.0 111.05 -179.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 98' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' D' ' 95' ' ' SER . 0.1 OUTLIER -69.35 -34.58 74.81 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 177.769 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' D' D ' 99' ' ' ILE . . . . . 0.484 ' HB ' ' O ' ' D' ' 96' ' ' LEU . 38.1 mt -62.34 -50.04 81.51 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.829 0 CA-C-N 114.426 -1.261 . . . . 0.0 110.012 178.555 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 100' ' ' HIS . . . . . 0.499 ' HB2' ' CD1' ' D' ' 110' ' ' LEU . 1.9 t-160 -55.84 -33.66 64.72 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 178.218 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 101' ' ' ALA . . . . . . . . . . . . . . . -57.57 -45.69 84.88 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 114.39 -1.277 . . . . 0.0 111.97 179.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 102' ' ' LEU . . . . . 0.418 ' CD1' HD23 ' C' ' 25' ' ' LEU . 0.4 OUTLIER -117.53 26.5 9.68 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.793 -177.532 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' D' D ' 103' ' ' THR . . . . . 0.47 HG21 ' O ' ' D' ' 99' ' ' ILE . 31.4 p -141.1 -31.77 0.58 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.714 0.292 . . . . 0.0 111.512 179.626 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 4.5 t0 67.9 27.46 7.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.908 0.385 . . . . 0.0 110.536 -179.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 105' ' ' SER . . . . . 0.423 ' HB3' ' CE1' ' C' ' 21' ' ' TYR . 11.1 m -53.73 -77.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.79 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 106' ' ' SER . . . . . . . . . . . . . 6.5 t 167.95 104.86 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.417 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -47.38 -31.97 4.5 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.885 0.374 . . . . 0.0 110.601 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 7.7 mmmt -67.26 -47.19 71.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.692 178.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 109' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -63.59 -34.72 78.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.791 179.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 110' ' ' LEU . . . . . 0.499 ' CD1' ' HB2' ' D' ' 100' ' ' HIS . 22.2 mt -62.61 -42.99 99.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.073 179.108 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 111' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -61.3 -41.97 97.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.531 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 112' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -58.61 -44.25 89.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.165 179.683 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 113' ' ' LEU . . . . . 0.429 ' O ' ' CD2' ' D' ' 117' ' ' PHE . 0.5 OUTLIER -70.22 -34.05 72.42 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.651 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' D' D ' 114' ' ' HIS . . . . . 0.607 ' HA ' HD22 ' D' ' 93' ' ' LEU . 37.4 m170 -58.18 -35.03 70.99 Favored 'General case' 0 CA--C 1.517 -0.293 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 178.267 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 115' ' ' SER . . . . . 0.425 ' HA ' ' HB2' ' D' ' 118' ' ' GLN . 1.3 t -73.94 -38.15 64.35 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 108.887 -0.782 . . . . 0.0 108.887 178.579 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 116' ' ' VAL . . . . . 0.426 ' O ' ' CD2' ' D' ' 122' ' ' LEU . 54.9 t -59.16 -23.58 25.04 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.147 178.555 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 117' ' ' PHE . . . . . 0.504 ' CD1' HG12 ' D' ' 89' ' ' VAL . 44.3 m-85 -105.62 -30.96 9.16 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.436 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 118' ' ' GLN . . . . . 0.425 ' HB2' ' HA ' ' D' ' 115' ' ' SER . 0.0 OUTLIER -60.98 -33.71 73.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.457 -179.207 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -45.44 118.8 1.87 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.488 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 120' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -63.32 -46.49 86.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.863 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 121' ' ' HIS . . . . . . . . . . . . . 48.9 m-70 -55.95 -34.33 65.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.588 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 122' ' ' LEU . . . . . 0.426 ' CD2' ' O ' ' D' ' 116' ' ' VAL . 28.4 tp -56.29 -47.61 78.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.063 179.481 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 123' ' ' HIS . . . . . 0.646 ' HA ' ' CD1' ' D' ' 126' ' ' LEU . 12.2 m-70 -52.44 -25.81 11.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.843 179.082 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 124' ' ' THR . . . . . 0.402 HG22 ' CD1' ' C' ' 63' ' ' LEU . 3.2 m -78.47 -34.36 47.69 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.511 178.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 125' ' ' LEU . . . . . 0.424 HD13 HG12 ' C' ' 53' ' ' ILE . 33.8 mt -66.5 -45.18 80.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.287 -0.87 . . . . 0.0 111.213 179.706 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 126' ' ' LEU . . . . . 0.646 ' CD1' ' HA ' ' D' ' 123' ' ' HIS . 0.1 OUTLIER -73.14 -37.1 66.74 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.821 -179.674 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' D' D ' 127' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.07 -52.4 65.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.952 0.406 . . . . 0.0 110.873 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 128' ' ' LEU . . . . . 0.42 HD23 ' CD2' ' A' ' 59' ' ' TYR . 3.2 mt -73.09 -33.15 65.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.8 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 129' ' ' TYR . . . . . 0.49 ' CE1' ' CB ' ' C' ' 46' ' ' SER . 0.6 OUTLIER -55.69 -51.9 65.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.154 -179.497 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' D' D ' 130' ' ' ASP . . . . . 0.462 ' CB ' ' HB3' ' D' ' 82' ' ' LEU . 3.4 m-20 -75.75 -35.4 60.18 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.035 -179.748 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.77 -46.57 74.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.064 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 132' ' ' ILE . . . . . . . . . . . . . 3.1 mt -76.22 -40.06 35.86 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 CA-C-O 120.988 0.423 . . . . 0.0 110.586 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 133' ' ' ASN . . . . . . . . . . . . . 26.7 t30 . . . . . 0 C--N 1.326 -0.453 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.023 -179.626 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.2 mtm-85 . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.277 0.084 . . . . 0.0 111.082 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.45 ' HA ' ' OG1' ' A' ' 11' ' ' THR . 0.0 OUTLIER -76.51 -25.8 54.58 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 179.103 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.402 ' NE2' ' HD2' ' A' ' 8' ' ' LYS . 1.2 mm-40 -80.31 -34.57 36.67 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 177.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -76.59 -30.05 56.82 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.152 179.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.45 ' OG1' ' HA ' ' A' ' 8' ' ' LYS . 20.7 p -72.89 -44.21 61.56 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.648 179.537 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -68.12 -36.59 79.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.316 179.603 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -73.91 -25.28 59.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.041 179.045 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.439 ' O ' HD23 ' B' ' 113' ' ' LEU . . . -78.24 -54.81 5.82 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.556 178.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.517 ' CD2' ' HB3' ' A' ' 44' ' ' PHE . 0.4 OUTLIER -60.49 -26.34 66.75 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.594 179.198 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -73.19 -46.27 51.54 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 178.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.441 HD21 ' CE1' ' A' ' 21' ' ' TYR . 5.5 mt -62.44 -34.97 77.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.377 178.685 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.422 ' CB ' ' CD1' ' A' ' 41' ' ' ILE . 44.8 mt -64.2 -41.37 97.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.572 179.518 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.26 -44.98 96.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.72 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -73.2 -33.61 65.49 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.995 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.578 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 9.4 m-30 -65.99 -47.01 75.94 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.763 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.0 ptt180 -62.99 -42.52 99.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.912 0.387 . . . . 0.0 110.534 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.1 m -59.71 -35.37 74.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.01 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.6 ptmt -95.42 -18.58 20.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.494 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.578 ' HB2' ' O ' ' A' ' 21' ' ' TYR . 0.3 OUTLIER -70.42 -65.76 0.69 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.026 0.441 . . . . 0.0 111.047 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.487 ' HB3' ' HB2' ' A' ' 34' ' ' ARG . 1.5 p -58.99 -159.97 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.133 -179.627 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 59.72 29.19 18.75 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.608 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.501 ' CG2' ' H ' ' A' ' 29' ' ' GLU . 5.0 t -152.77 -59.25 0.14 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.181 -179.658 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.501 ' H ' ' CG2' ' A' ' 28' ' ' THR . 14.7 pt-20 -175.37 28.16 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.644 -179.347 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.42 ' CB ' HD21 ' A' ' 25' ' ' LEU . 4.9 m-20 -146.01 48.06 1.23 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.985 0.422 . . . . 0.0 111.113 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.3 mmt180 -58.38 -50.44 73.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.183 0.516 . . . . 0.0 110.149 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -57.52 -47.22 82.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.067 179.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.481 HD13 ' CB ' ' B' ' 95' ' ' SER . 7.0 tp -55.32 -29.72 58.82 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.031 179.273 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.487 ' HB2' ' HB3' ' A' ' 26' ' ' SER . 5.8 ttp180 -66.4 -42.71 87.44 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 178.384 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.487 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 1.3 m -62.13 -27.84 69.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.945 -1.025 . . . . 0.0 111.069 179.51 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.566 ' HB3' ' NE2' ' B' ' 91' ' ' GLN . 0.2 OUTLIER -75.96 -44.7 38.59 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.282 0.563 . . . . 0.0 110.28 179.526 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.539 ' O ' HG12 ' A' ' 41' ' ' ILE . 4.1 mt -64.13 -41.3 92.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.379 179.143 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.506 ' HA ' HG12 ' A' ' 41' ' ' ILE . 8.1 pt-20 -64.6 -43.73 92.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.013 -179.15 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.48 ' HG2' ' O ' ' A' ' 36' ' ' SER . 6.0 ptp180 -59.69 -38.77 82.44 Favored 'General case' 0 CA--C 1.52 -0.21 0 C-N-CA 120.198 -0.601 . . . . 0.0 109.615 179.677 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.45 ' CG1' ' CD1' ' A' ' 44' ' ' PHE . 95.0 t -60.91 -40.71 86.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 178.012 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.539 HG12 ' O ' ' A' ' 37' ' ' ILE . 12.8 mm -53.97 -57.71 5.1 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.722 179.766 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.6 p -58.38 -47.7 83.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.953 0.406 . . . . 0.0 110.867 -179.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.414 ' CG2' ' CE2' ' B' ' 129' ' ' TYR . 11.0 mt -59.92 -34.78 57.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.053 179.279 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.517 ' HB3' ' CD2' ' A' ' 15' ' ' LEU . 1.3 m-85 -72.29 -56.23 5.85 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.943 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -78.64 -2.64 40.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.64 -179.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.479 ' CB ' ' CE1' ' B' ' 129' ' ' TYR . 0.2 OUTLIER -48.2 134.2 14.66 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.904 0.383 . . . . 0.0 110.884 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -52.15 -33.96 42.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.392 -179.54 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.458 ' CD2' ' O ' ' B' ' 129' ' ' TYR . 1.2 tp -79.77 -44.69 20.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.44 -179.766 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.439 ' CD1' ' O ' ' A' ' 44' ' ' PHE . 37.4 t80 -50.24 -52.94 31.9 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 121.011 -0.276 . . . . 0.0 110.866 -179.202 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 -60.27 -36.38 77.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.894 0.378 . . . . 0.0 110.044 179.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.63 -43.06 89.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.157 179.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.9 -43.7 98.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.723 178.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.44 ' CG2' ' HB3' ' A' ' 8' ' ' LYS . 35.0 mt -54.22 -36.91 34.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.269 179.112 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.03 -31.86 64.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.518 179.467 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.466 HG22 HD12 ' A' ' 55' ' ' ILE . 68.5 mt -68.97 -46.42 78.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.919 179.728 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -52.93 -21.75 4.73 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.581 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -46.09 -35.72 5.19 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.136 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.412 ' HA ' ' HG ' ' C' ' 64' ' ' LEU . 12.9 m-85 -152.37 21.44 0.64 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.66 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.462 ' CZ ' ' CD1' ' C' ' 63' ' ' LEU . 34.9 m-85 -127.21 64.42 1.32 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.6 179.502 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -50.74 94.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.414 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -76.93 107.44 8.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.966 179.694 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.401 HG21 ' CG ' ' C' ' 60' ' ' GLU . 0.4 OUTLIER -95.77 130.26 42.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.716 -179.854 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.425 HD11 ' CE2' ' C' ' 59' ' ' TYR . 0.1 OUTLIER -91.54 133.03 35.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.594 179.724 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.474 ' HG ' ' HA ' ' C' ' 58' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.953 -179.762 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . 0.422 ' HA ' ' CB ' ' B' ' 130' ' ' ASP . 0.3 OUTLIER . . . . . 0 N--CA 1.455 -0.214 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . 0.617 ' O ' ' HB3' ' B' ' 87' ' ' ARG . 0.5 OUTLIER -87.23 -41.34 13.78 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 114.308 -1.315 . . . . 0.0 110.96 -179.622 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . 0.608 ' CB ' ' HB2' ' B' ' 88' ' ' ALA . . . -76.48 -20.93 56.48 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.208 -0.905 . . . . 0.0 112.205 -178.085 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 85' ' ' ALA . . . . . 0.483 ' CB ' ' HB3' ' B' ' 126' ' ' LEU . . . -52.69 -24.91 9.51 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.227 0.537 . . . . 0.0 110.059 179.387 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -125.05 -44.64 1.9 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.636 178.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 87' ' ' ARG . . . . . 0.617 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 12.1 ttt85 -57.8 -49.65 75.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.36 179.077 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . 0.608 ' HB2' ' CB ' ' B' ' 84' ' ' ALA . . . -57.75 -44.73 86.29 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.575 -179.121 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 89' ' ' VAL . . . . . 0.456 HG11 ' CD1' ' B' ' 117' ' ' PHE . 34.6 t -63.58 -30.32 49.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.56 179.613 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 13.0 t -75.46 -28.18 59.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.128 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 91' ' ' GLN . . . . . 0.571 ' HG3' ' O ' ' B' ' 87' ' ' ARG . 2.3 mt-30 -69.54 -53.28 19.76 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 179.475 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 92' ' ' VAL . . . . . 0.434 HG22 ' HA ' ' A' ' 37' ' ' ILE . 3.2 t -65.63 -28.1 43.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.791 178.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 93' ' ' LEU . . . . . 0.613 HD22 ' HA ' ' B' ' 114' ' ' HIS . 2.7 mt -66.24 -38.43 87.87 Favored 'General case' 0 C--O 1.23 0.068 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.455 179.666 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -80.2 -38.62 30.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.988 0.423 . . . . 0.0 110.797 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 95' ' ' SER . . . . . 0.481 ' CB ' HD13 ' A' ' 33' ' ' LEU . 2.2 p -79.58 -21.4 45.07 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.573 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . 0.425 ' O ' ' HB ' ' B' ' 99' ' ' ILE . 0.2 OUTLIER -34.83 -52.95 0.55 Allowed 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -179.162 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -70.18 -29.35 66.21 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.285 -179.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' B' ' 95' ' ' SER . 0.4 OUTLIER -70.12 -34.1 72.67 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 177.874 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 99' ' ' ILE . . . . . 0.458 ' O ' ' OG1' ' B' ' 103' ' ' THR . 19.3 mt -62.55 -49.17 84.9 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.869 0 CA-C-N 114.513 -1.221 . . . . 0.0 109.817 178.624 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 100' ' ' HIS . . . . . 0.474 ' HB2' ' CD1' ' B' ' 110' ' ' LEU . 2.0 t-160 -57.01 -34.85 68.58 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 178.187 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.29 -46.1 72.68 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 114.562 -1.199 . . . . 0.0 111.557 179.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 102' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -116.94 33.38 5.64 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.443 -0.798 . . . . 0.0 112.465 -177.766 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 103' ' ' THR . . . . . 0.458 ' OG1' ' O ' ' B' ' 99' ' ' ILE . 43.5 p -147.85 -32.86 0.26 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 111.675 0.25 . . . . 0.0 111.675 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 1.6 t0 74.77 25.6 1.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.038 0.447 . . . . 0.0 110.545 -179.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 105' ' ' SER . . . . . 0.451 ' HB3' ' CZ ' ' A' ' 21' ' ' TYR . 3.7 m -65.12 -12.1 47.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.459 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 106' ' ' SER . . . . . 0.411 ' CB ' ' O ' ' B' ' 105' ' ' SER . 1.6 p 80.62 123.34 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.886 0.374 . . . . 0.0 110.965 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -55.73 -31.02 62.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.939 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 19.0 mmtt -54.41 -53.51 53.07 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.093 0.473 . . . . 0.0 110.316 179.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -62.05 -40.17 94.84 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.859 179.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 110' ' ' LEU . . . . . 0.474 ' CD1' ' HB2' ' B' ' 100' ' ' HIS . 28.5 mt -59.71 -39.81 85.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.351 179.221 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 111' ' ' ASP . . . . . 0.421 ' O ' ' CD2' ' B' ' 114' ' ' HIS . 82.8 m-20 -62.5 -44.91 95.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.773 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -58.29 -38.79 77.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.424 179.758 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 113' ' ' LEU . . . . . 0.439 HD23 ' O ' ' A' ' 14' ' ' ALA . 0.5 OUTLIER -74.94 -28.16 60.48 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.005 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 114' ' ' HIS . . . . . 0.613 ' HA ' HD22 ' B' ' 93' ' ' LEU . 0.0 OUTLIER -64.13 -35.77 81.84 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 178.666 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 2.8 m -76.23 -37.66 57.42 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 178.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 116' ' ' VAL . . . . . 0.419 ' CG1' ' CB ' ' A' ' 14' ' ' ALA . 41.0 t -62.43 -24.7 35.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.915 178.463 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 117' ' ' PHE . . . . . 0.456 ' CD1' HG11 ' B' ' 89' ' ' VAL . 20.7 m-85 -98.95 -34.28 10.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.74 -0.663 . . . . 0.0 111.144 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 118' ' ' GLN . . . . . 0.406 ' NE2' ' CD1' ' B' ' 93' ' ' LEU . 0.0 OUTLIER -63.63 -28.51 69.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.227 -179.479 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -44.91 114.14 0.67 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.558 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -60.72 -43.88 97.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.748 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 121' ' ' HIS . . . . . 0.408 ' O ' ' HG ' ' B' ' 125' ' ' LEU . 8.7 m170 -57.11 -34.63 68.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.636 179.766 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 38.5 tp -56.16 -49.06 75.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.507 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 123' ' ' HIS . . . . . 0.507 ' HA ' ' CD1' ' B' ' 126' ' ' LEU . 16.6 m170 -54.34 -26.36 29.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.074 179.071 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 1.4 m -74.26 -37.19 63.81 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 178.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' B' ' 121' ' ' HIS . 4.0 mt -71.89 -33.85 68.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.479 178.584 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . 0.507 ' CD1' ' HA ' ' B' ' 123' ' ' HIS . 4.3 mt -73.13 -50.1 24.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.965 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -59.69 -53.37 58.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.105 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . 0.425 HD21 ' CE2' ' C' ' 59' ' ' TYR . 17.6 mt -62.53 -34.93 77.9 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.549 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 129' ' ' TYR . . . . . 0.479 ' CE1' ' CB ' ' A' ' 46' ' ' SER . 0.9 OUTLIER -56.05 -50.45 70.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.964 -179.838 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 130' ' ' ASP . . . . . 0.435 ' OD1' ' CD2' ' B' ' 129' ' ' TYR . 0.0 OUTLIER -75.42 -34.33 61.02 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.028 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.94 -49.68 70.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.231 -179.673 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 132' ' ' ILE . . . . . 0.426 ' HB ' ' CD2' ' A' ' 48' ' ' LEU . 2.7 mt -75.02 -39.39 44.17 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.433 0 CA-C-O 120.798 0.333 . . . . 0.0 110.879 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 133' ' ' ASN . . . . . 0.419 ' HB2' ' O ' ' B' ' 129' ' ' TYR . 0.2 OUTLIER -60.68 -25.61 66.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.966 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 134' ' ' THR . . . . . 0.413 ' CG2' ' O ' ' B' ' 134' ' ' THR . 58.6 m -95.12 33.22 1.56 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.078 0.466 . . . . 0.0 111.159 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 2.5 mttm -142.5 -40.15 0.34 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.235 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 81.1 p . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.172 -179.933 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 7' ' ' ARG . . . . . 0.434 ' HA ' ' OD2' ' C' ' 10' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.159 0 CA-C-O 120.518 0.199 . . . . 0.0 110.67 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 2.5 mttm -67.06 -30.62 70.72 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 121.194 0.521 . . . . 0.0 110.026 178.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 35.3 mm-40 -80.32 -30.41 38.12 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.292 179.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 10' ' ' ASP . . . . . 0.504 ' OD1' ' N ' ' C' ' 11' ' ' THR . 13.9 p30 -83.94 -28.84 27.54 Favored 'General case' 0 C--N 1.333 -0.136 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.136 179.367 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 11' ' ' THR . . . . . 0.504 ' N ' ' OD1' ' C' ' 10' ' ' ASP . 13.3 p -73.35 -40.3 64.51 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.903 178.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.3 -49.16 58.5 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.109 179.161 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.06 -23.8 67.28 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.991 178.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 14' ' ' ALA . . . . . 0.476 ' O ' HD21 ' D' ' 113' ' ' LEU . . . -78.28 -54.2 6.48 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.831 179.177 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 15' ' ' LEU . . . . . 0.451 ' CD2' ' HB3' ' C' ' 44' ' ' PHE . 0.5 OUTLIER -67.13 -28.55 68.23 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.464 179.496 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 16' ' ' HIS . . . . . . . . . . . . . 22.2 t-80 -68.81 -44.31 73.78 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 178.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . 0.426 HD23 ' CE1' ' C' ' 21' ' ' TYR . 3.5 mt -65.79 -34.37 78.02 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.299 178.33 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . 0.427 ' CD2' ' CG1' ' D' ' 92' ' ' VAL . 20.1 mt -62.55 -50.33 71.78 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.873 179.738 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 19' ' ' GLU . . . . . 0.402 ' HG3' ' N ' ' C' ' 20' ' ' GLU . 5.4 pt-20 -60.72 -33.98 73.71 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.702 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 20' ' ' GLU . . . . . 0.402 ' N ' ' HG3' ' C' ' 19' ' ' GLU . 47.5 mt-10 -75.07 -37.27 61.66 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-O 121.117 0.484 . . . . 0.0 110.011 179.287 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 21' ' ' TYR . . . . . 0.617 ' O ' ' HB2' ' C' ' 25' ' ' LEU . 16.2 m-30 -67.23 -47.37 70.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.433 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 22' ' ' ARG . . . . . 0.446 ' HG3' ' N ' ' C' ' 23' ' ' SER . 0.1 OUTLIER -59.18 -43.28 92.17 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.805 0.335 . . . . 0.0 110.467 179.465 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 23' ' ' SER . . . . . 0.446 ' N ' ' HG3' ' C' ' 22' ' ' ARG . 3.6 m -59.7 -35.81 75.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.363 179.412 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 24' ' ' LYS . . . . . . . . . . . . . 7.6 ptmt -100.48 6.05 44.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.262 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 25' ' ' LEU . . . . . 0.617 ' HB2' ' O ' ' C' ' 21' ' ' TYR . 0.3 OUTLIER -95.72 -67.02 0.87 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.914 0.388 . . . . 0.0 111.227 -179.638 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 26' ' ' SER . . . . . 0.513 ' HB3' ' HB2' ' C' ' 34' ' ' ARG . 1.8 p -59.89 -159.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.166 -179.292 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 27' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 59.05 29.58 19.17 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.496 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 28' ' ' THR . . . . . 0.506 ' CG2' ' H ' ' C' ' 29' ' ' GLU . 4.4 t -151.73 -60.64 0.17 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.285 -179.461 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 29' ' ' GLU . . . . . 0.506 ' H ' ' CG2' ' C' ' 28' ' ' THR . 17.2 pt-20 -174.19 28.8 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.721 -179.154 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 30' ' ' ASP . . . . . 0.566 ' HB2' HD23 ' C' ' 25' ' ' LEU . 4.0 m-20 -149.25 49.83 0.96 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.904 0.383 . . . . 0.0 111.078 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.99 -55.01 37.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.349 0.595 . . . . 0.0 110.572 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 3.9 tm0? -52.44 -48.26 65.89 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.45 -0.795 . . . . 0.0 109.93 179.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 33' ' ' LEU . . . . . 0.45 HD13 ' OG ' ' D' ' 95' ' ' SER . 9.2 tp -54.43 -34.37 61.25 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.96 178.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 34' ' ' ARG . . . . . 0.513 ' HB2' ' HB3' ' C' ' 26' ' ' SER . 5.3 ttp180 -60.88 -43.46 98.4 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.434 178.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.48 -35.83 74.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.238 179.228 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 36' ' ' SER . . . . . 0.481 ' HB3' HE21 ' D' ' 91' ' ' GLN . 67.4 m -62.36 -51.81 66.11 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.598 179.711 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 37' ' ' ILE . . . . . 0.632 ' O ' HG12 ' C' ' 41' ' ' ILE . 7.6 mt -58.57 -41.84 83.07 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.325 0 CA-C-O 121.397 0.618 . . . . 0.0 109.389 178.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -58.29 -52.07 67.14 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.786 -1.097 . . . . 0.0 112.017 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 39' ' ' ARG . . . . . 0.473 ' HG3' ' HB1' ' D' ' 88' ' ' ALA . 6.0 ptp180 -55.74 -37.78 68.93 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.396 -0.522 . . . . 0.0 110.236 -179.607 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 64.4 t -64.87 -33.61 64.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 178.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 41' ' ' ILE . . . . . 0.632 HG12 ' O ' ' C' ' 37' ' ' ILE . 44.4 mm -68.41 -60.13 2.86 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.132 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.175 179.501 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 20.3 p -53.63 -46.72 70.58 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.053 0.454 . . . . 0.0 110.333 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 43' ' ' ILE . . . . . 0.438 HG23 ' CE2' ' D' ' 129' ' ' TYR . 15.8 mt -60.07 -33.14 52.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.705 178.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 44' ' ' PHE . . . . . 0.451 ' HB3' ' CD2' ' C' ' 15' ' ' LEU . 0.4 OUTLIER -72.53 -58.72 3.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.711 179.49 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 45' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -62.89 -22.37 66.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.61 -0.723 . . . . 0.0 112.162 -178.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 46' ' ' SER . . . . . 0.432 ' CB ' ' CE1' ' D' ' 129' ' ' TYR . 0.2 OUTLIER -41.13 156.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.91 0.386 . . . . 0.0 111.744 -179.378 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -79.53 -33.51 41.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.463 -179.383 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . 0.553 ' CD1' ' HA ' ' D' ' 129' ' ' TYR . 0.4 OUTLIER -69.35 -45.91 68.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.993 0.425 . . . . 0.0 110.124 179.879 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 49' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -51.48 -56.01 15.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.233 -179.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -54.76 -38.8 67.64 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.596 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.87 -46.32 88.07 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.459 179.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 52' ' ' LEU . . . . . 0.405 ' CD1' ' HA ' ' D' ' 129' ' ' TYR . 2.3 mt -60.12 -45.09 94.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.201 179.327 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 59.3 mt -55.09 -35.77 36.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.42 179.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.34 -39.16 81.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.063 179.288 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 78.0 mt -57.73 -42.32 81.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.637 179.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 56' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -53.73 -23.34 11.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.457 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 57' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -49.19 -31.34 8.32 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.307 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 58' ' ' PHE . . . . . 0.474 ' HA ' ' HG ' ' A' ' 64' ' ' LEU . 48.7 m-85 -154.37 25.85 0.47 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.477 -0.328 . . . . 0.0 111.637 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 59' ' ' TYR . . . . . 0.425 ' CE2' HD11 ' A' ' 63' ' ' LEU . 68.8 m-85 -137.7 107.7 6.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.85 179.659 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 60' ' ' GLU . . . . . 0.418 ' HG2' ' CD2' ' A' ' 64' ' ' LEU . 4.3 mm-40 -90.2 98.41 11.75 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.58 179.698 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 61' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -72.56 96.62 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.002 0.43 . . . . 0.0 110.632 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 62' ' ' THR . . . . . . . . . . . . . 18.0 m -81.13 123.71 28.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.62 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 63' ' ' LEU . . . . . 0.462 ' CD1' ' CZ ' ' A' ' 59' ' ' TYR . 5.7 tp -94.99 121.23 36.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.953 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 64' ' ' LEU . . . . . 0.524 ' CD2' ' N ' ' C' ' 64' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.638 179.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 82' ' ' LEU . . . . . 0.591 ' CD2' ' N ' ' D' ' 82' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 121.037 0.446 . . . . 0.0 110.263 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 83' ' ' LEU . . . . . 0.72 ' O ' ' HB3' ' D' ' 87' ' ' ARG . 0.3 OUTLIER -67.83 -40.64 83.73 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.18 -179.922 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' D' D ' 84' ' ' ALA . . . . . 0.635 ' O ' ' HB2' ' D' ' 88' ' ' ALA . . . -93.31 -17.49 23.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.53 -0.759 . . . . 0.0 112.042 -178.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 85' ' ' ALA . . . . . 0.43 ' CB ' ' CB ' ' D' ' 126' ' ' LEU . . . -52.0 -23.43 5.14 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.157 0.503 . . . . 0.0 110.566 -179.679 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 86' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -126.05 -38.4 2.17 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.587 178.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 87' ' ' ARG . . . . . 0.72 ' HB3' ' O ' ' D' ' 83' ' ' LEU . 35.2 ttt180 -62.99 -53.11 59.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.144 178.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 88' ' ' ALA . . . . . 0.635 ' HB2' ' O ' ' D' ' 84' ' ' ALA . . . -57.77 -43.91 85.82 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.971 179.722 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 89' ' ' VAL . . . . . 0.513 ' CG1' ' HB3' ' D' ' 117' ' ' PHE . 38.9 t -72.03 -35.02 52.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.457 179.28 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 8.2 m -75.26 -26.09 58.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.371 179.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 91' ' ' GLN . . . . . 0.503 ' HG3' ' O ' ' D' ' 87' ' ' ARG . 16.6 mt-30 -66.89 -57.29 7.25 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-O 121.369 0.604 . . . . 0.0 109.526 179.289 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 92' ' ' VAL . . . . . 0.427 ' CG1' ' CD2' ' C' ' 18' ' ' LEU . 9.4 t -65.02 -27.83 43.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.063 -0.971 . . . . 0.0 109.933 179.222 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 93' ' ' LEU . . . . . 0.566 ' CD2' ' HA ' ' D' ' 114' ' ' HIS . 3.4 mt -66.74 -35.28 79.73 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.485 179.627 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -87.14 -34.42 19.09 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.716 0.293 . . . . 0.0 111.493 -179.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 95' ' ' SER . . . . . 0.45 ' OG ' HD13 ' C' ' 33' ' ' LEU . 2.9 p -79.6 -20.75 46.15 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.888 -179.428 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 96' ' ' LEU . . . . . 0.514 ' O ' ' HB ' ' D' ' 99' ' ' ILE . 0.1 OUTLIER -38.04 -50.58 1.36 Allowed 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -179.234 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -69.16 -31.82 70.73 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.058 -179.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.87 -34.91 76.23 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 177.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 99' ' ' ILE . . . . . 0.514 ' HB ' ' O ' ' D' ' 96' ' ' LEU . 26.9 mt -60.69 -50.1 81.83 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.792 0 CA-C-N 114.454 -1.248 . . . . 0.0 110.174 178.726 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 100' ' ' HIS . . . . . 0.55 ' HB2' ' CD1' ' D' ' 110' ' ' LEU . 10.9 t-160 -54.59 -39.12 67.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 122.018 0.913 . . . . 0.0 108.645 178.316 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 101' ' ' ALA . . . . . . . . . . . . . . . -52.39 -45.79 65.99 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 113.748 -1.569 . . . . 0.0 112.194 179.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 102' ' ' LEU . . . . . 0.402 ' CD1' HD22 ' C' ' 25' ' ' LEU . 0.4 OUTLIER -117.67 25.33 10.47 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 -177.381 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' D' D ' 103' ' ' THR . . . . . 0.434 ' OG1' ' O ' ' D' ' 99' ' ' ILE . 31.3 p -142.26 -29.64 0.58 Allowed 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.974 -0.29 . . . . 0.0 111.617 179.611 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 37.9 t70 64.79 28.53 12.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.991 0.424 . . . . 0.0 110.078 -179.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 105' ' ' SER . . . . . 0.413 ' HB3' ' CE1' ' C' ' 21' ' ' TYR . 0.1 OUTLIER -49.46 -83.1 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.178 -179.894 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' D' D ' 106' ' ' SER . . . . . . . . . . . . . 5.3 t 165.87 109.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.144 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -49.01 -38.06 22.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.882 0.372 . . . . 0.0 110.786 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.47 -46.14 91.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.103 0.477 . . . . 0.0 109.963 179.201 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 109' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -69.08 -31.78 70.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.829 178.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 110' ' ' LEU . . . . . 0.55 ' CD1' ' HB2' ' D' ' 100' ' ' HIS . 86.2 mt -67.41 -44.91 77.68 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.233 179.396 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 111' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.93 -38.37 90.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.51 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 112' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -61.67 -43.87 98.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.353 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 113' ' ' LEU . . . . . 0.476 HD21 ' O ' ' C' ' 14' ' ' ALA . 0.4 OUTLIER -70.79 -38.75 73.37 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.825 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' D' D ' 114' ' ' HIS . . . . . 0.566 ' HA ' ' CD2' ' D' ' 93' ' ' LEU . 0.0 OUTLIER -58.71 -33.68 70.46 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 178.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' D' D ' 115' ' ' SER . . . . . . . . . . . . . 23.9 p -72.66 -36.93 68.08 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 177.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 116' ' ' VAL . . . . . 0.459 ' O ' ' CD2' ' D' ' 122' ' ' LEU . 3.5 t -62.71 -30.74 50.06 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 CA-C-N 115.208 -0.905 . . . . 0.0 109.273 178.047 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 117' ' ' PHE . . . . . 0.513 ' HB3' ' CG1' ' D' ' 89' ' ' VAL . 13.6 m-30 -93.59 -26.92 16.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.516 -179.632 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 118' ' ' GLN . . . . . 0.455 ' NE2' ' CD2' ' D' ' 114' ' ' HIS . 0.0 OUTLIER -69.15 -30.61 68.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.838 0.352 . . . . 0.0 111.158 -179.56 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -45.25 115.24 0.88 Allowed 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.372 -179.714 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 120' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -60.33 -35.67 76.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.823 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 121' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -64.9 -34.96 79.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.823 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 122' ' ' LEU . . . . . 0.496 ' HG ' HD12 ' D' ' 126' ' ' LEU . 28.1 tp -56.54 -50.21 72.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.326 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 123' ' ' HIS . . . . . 0.496 ' HA ' HD11 ' D' ' 126' ' ' LEU . 13.7 m170 -51.79 -27.88 13.66 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.13 0.491 . . . . 0.0 110.228 178.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 124' ' ' THR . . . . . . . . . . . . . 3.9 m -74.73 -35.51 62.67 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 115.641 -0.708 . . . . 0.0 109.869 179.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 125' ' ' LEU . . . . . 0.445 ' CD1' ' HA ' ' D' ' 122' ' ' LEU . 16.2 mt -63.64 -44.83 92.7 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.78 179.683 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 126' ' ' LEU . . . . . 0.496 HD11 ' HA ' ' D' ' 123' ' ' HIS . 2.6 mp -67.04 -42.93 83.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.811 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 127' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -59.7 -53.25 60.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.9 179.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 128' ' ' LEU . . . . . 0.427 HD21 ' CD2' ' A' ' 59' ' ' TYR . 4.1 mt -69.79 -29.37 66.67 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.256 179.514 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 129' ' ' TYR . . . . . 0.553 ' HA ' ' CD1' ' C' ' 48' ' ' LEU . 4.8 t80 -55.15 -52.28 63.78 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.18 -179.398 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 130' ' ' ASP . . . . . 0.501 ' HB3' ' CD2' ' D' ' 82' ' ' LEU . 7.5 t70 -77.03 -32.15 56.79 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.172 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 131' ' ' LYS . . . . . . . . . . . . . 7.8 tttt -54.57 -51.51 65.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.934 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 132' ' ' ILE . . . . . . . . . . . . . 3.0 mt -77.72 -42.7 29.28 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 CA-C-O 120.981 0.42 . . . . 0.0 110.781 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 133' ' ' ASN . . . . . . . . . . . . . 58.3 t-20 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.748 -179.976 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.87 -38.06 84.28 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 121.084 0.469 . . . . 0.0 110.004 179.202 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 40.9 mm-40 -75.94 -32.26 59.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.228 179.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 -75.42 -32.2 60.62 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.235 179.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.6 p -71.57 -47.15 56.82 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.253 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.19 -36.75 84.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.897 0.38 . . . . 0.0 110.189 179.597 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 -72.96 -25.52 61.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.177 179.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.453 ' CB ' HD21 ' B' ' 113' ' ' LEU . . . -78.21 -55.39 5.3 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 109.543 -0.539 . . . . 0.0 109.543 179.149 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.582 ' HA ' HD11 ' A' ' 18' ' ' LEU . 0.4 OUTLIER -61.08 -28.67 69.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.21 179.477 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 18.4 t-160 -73.64 -44.47 56.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.123 0.487 . . . . 0.0 109.848 179.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.434 HD23 ' CE1' ' A' ' 21' ' ' TYR . 1.3 mt -61.76 -49.5 76.15 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.703 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.582 HD11 ' HA ' ' A' ' 15' ' ' LEU . 1.1 mt -61.77 -32.87 73.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.296 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -58.7 -48.07 82.38 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.182 0.515 . . . . 0.0 110.12 179.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -70.91 -31.72 68.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.873 179.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.639 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 16.5 m-30 -64.83 -47.53 77.65 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.762 179.715 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -61.31 -41.87 97.71 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.757 0.313 . . . . 0.0 110.464 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 52.1 p -57.05 -38.92 73.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.276 179.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.9 ptmt -98.87 1.07 45.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.586 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.639 ' HB2' ' O ' ' A' ' 21' ' ' TYR . 0.1 OUTLIER -89.2 -67.17 0.86 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.964 0.412 . . . . 0.0 111.258 -179.641 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.468 ' HB3' ' HB2' ' A' ' 34' ' ' ARG . 2.2 p -59.85 -159.24 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.122 -179.49 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.409 ' OE1' ' NH1' ' A' ' 31' ' ' ARG . 1.6 mp0 59.43 28.54 17.94 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 120.962 0.41 . . . . 0.0 110.619 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.513 ' CG2' ' H ' ' A' ' 29' ' ' GLU . 4.3 t -150.02 -60.49 0.2 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.201 -179.625 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.513 ' H ' ' CG2' ' A' ' 28' ' ' THR . 22.3 pt-20 -173.66 27.86 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.613 -0.722 . . . . 0.0 111.648 -179.256 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.478 ' HB2' HD23 ' A' ' 25' ' ' LEU . 6.5 m-20 -147.53 54.85 1.07 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.034 0.445 . . . . 0.0 110.87 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.409 ' NH1' ' OE1' ' A' ' 27' ' ' GLN . 0.4 OUTLIER -64.84 -48.75 73.2 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.881 179.52 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.84 -47.32 83.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.831 178.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.4 ' HG ' HD11 ' A' ' 25' ' ' LEU . 9.0 tp -54.97 -35.06 63.89 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.035 179.027 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.468 ' HB2' ' HB3' ' A' ' 26' ' ' SER . 6.4 ttp180 -60.55 -43.72 96.92 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.417 178.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.451 ' HA ' ' HG2' ' A' ' 38' ' ' GLU . 1.0 OUTLIER -61.02 -33.5 73.36 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.329 179.141 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.481 ' HB3' ' HB3' ' B' ' 91' ' ' GLN . 0.6 OUTLIER -66.8 -45.7 77.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.297 0.57 . . . . 0.0 110.424 179.51 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.617 ' O ' HG12 ' A' ' 41' ' ' ILE . 58.4 mt -59.22 -49.57 82.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.753 179.647 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.507 ' HA ' HG12 ' A' ' 41' ' ' ILE . 7.2 pt-20 -59.89 -33.25 71.6 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.525 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.603 ' HB3' ' HB1' ' B' ' 88' ' ' ALA . 10.8 mtt180 -55.65 -53.11 60.55 Favored 'General case' 0 CA--C 1.516 -0.357 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 178.566 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.501 ' O ' ' HB2' ' A' ' 44' ' ' PHE . 61.7 t -60.02 -30.24 45.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.0 178.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.617 HG12 ' O ' ' A' ' 37' ' ' ILE . 9.4 mm -70.02 -58.12 6.32 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-N 116.094 -0.503 . . . . 0.0 112.314 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.2 p -61.35 -46.65 89.35 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-O 120.891 0.377 . . . . 0.0 110.919 -178.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.473 HG22 HD12 ' A' ' 43' ' ' ILE . 14.0 mt -59.73 -34.2 54.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.37 179.508 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.582 ' CD2' ' HB3' ' A' ' 15' ' ' LEU . 2.2 m-85 -72.35 -56.53 5.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.512 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.452 ' HG2' ' O ' ' A' ' 41' ' ' ILE . 6.5 pt20 -79.29 -0.51 32.69 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -177.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.495 ' CB ' ' CE1' ' B' ' 129' ' ' TYR . 0.2 OUTLIER -50.57 165.18 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.826 0.346 . . . . 0.0 111.077 -179.849 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -77.8 -41.69 36.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.199 -179.636 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.573 ' CD1' ' HA ' ' B' ' 129' ' ' TYR . 0.6 OUTLIER -70.08 -47.1 63.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.458 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.546 ' HA ' ' CD2' ' A' ' 52' ' ' LEU . 55.7 t80 -51.25 -56.12 14.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.911 -179.53 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -54.87 -48.49 72.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.013 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.67 -35.83 77.23 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.228 0.537 . . . . 0.0 110.506 179.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.546 ' CD2' ' HA ' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -70.04 -39.44 75.72 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.91 179.48 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.429 ' N ' ' HG ' ' A' ' 52' ' ' LEU . 59.2 mt -58.25 -35.86 55.27 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 178.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -66.17 -41.12 90.77 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.246 178.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.416 ' HB ' ' O ' ' A' ' 52' ' ' LEU . 77.1 mt -53.49 -40.54 41.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.508 179.003 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -55.68 -20.07 12.91 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.584 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.411 ' O ' ' CG ' ' A' ' 58' ' ' PHE . 13.3 pt-20 -43.53 -34.64 1.42 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.739 0.304 . . . . 0.0 111.334 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.411 ' CG ' ' O ' ' A' ' 57' ' ' GLU . 68.1 m-85 -158.79 27.74 0.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.262 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.462 ' CD2' ' CD2' ' D' ' 128' ' ' LEU . 10.8 m-85 -132.88 77.12 1.72 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.877 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.403 ' HB2' ' HB ' ' C' ' 62' ' ' THR . 1.4 mt-10 -67.11 94.48 0.35 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.672 0.272 . . . . 0.0 110.63 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -72.57 106.44 2.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.92 0.39 . . . . 0.0 111.267 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.5 m -91.92 118.51 30.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.409 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.431 HD11 ' CE2' ' C' ' 59' ' ' TYR . 0.2 OUTLIER -90.53 127.38 36.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.826 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.504 ' CD2' ' N ' ' A' ' 64' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.991 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . 0.616 ' CD2' ' N ' ' B' ' 82' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.455 -0.191 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . 0.687 ' O ' ' HB3' ' B' ' 87' ' ' ARG . 0.3 OUTLIER -64.95 -48.6 73.51 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.353 179.891 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . 0.541 ' H ' ' CD2' ' B' ' 83' ' ' LEU . . . -71.01 -24.68 62.42 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.921 -179.56 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 85' ' ' ALA . . . . . 0.454 ' CB ' ' CB ' ' B' ' 126' ' ' LEU . . . -53.03 -25.34 12.08 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.244 179.632 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -124.97 -43.64 1.96 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.435 178.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 87' ' ' ARG . . . . . 0.687 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 14.1 ttt180 -58.7 -51.02 71.72 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.003 178.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . 0.603 ' HB1' ' HB3' ' A' ' 39' ' ' ARG . . . -61.81 -45.55 93.35 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.954 179.57 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 89' ' ' VAL . . . . . 0.449 HG12 ' CD2' ' B' ' 117' ' ' PHE . 32.3 t -58.43 -56.08 18.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.053 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.91 -21.08 66.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.17 179.685 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 91' ' ' GLN . . . . . 0.481 ' HB3' ' HB3' ' A' ' 36' ' ' SER . 0.3 OUTLIER -67.24 -58.02 5.62 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-O 121.262 0.553 . . . . 0.0 110.314 -179.933 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 92' ' ' VAL . . . . . 0.437 ' CG1' ' CD2' ' A' ' 18' ' ' LEU . 6.4 t -68.25 -27.44 37.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.176 179.45 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 93' ' ' LEU . . . . . 0.506 ' HG ' ' CD2' ' B' ' 117' ' ' PHE . 0.7 OUTLIER -70.9 -28.94 64.9 Favored 'General case' 0 CA--C 1.528 0.1 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.199 179.85 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -84.82 -44.57 13.15 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.879 0.371 . . . . 0.0 111.232 -179.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.5 -13.95 58.66 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.064 -0.516 . . . . 0.0 112.157 -179.243 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . 0.463 ' O ' ' HB ' ' B' ' 99' ' ' ILE . 0.2 OUTLIER -38.78 -52.5 1.71 Allowed 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -179.331 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -70.77 -28.01 64.36 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.061 -179.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . 0.403 ' O ' ' HG ' ' B' ' 102' ' ' LEU . 0.1 OUTLIER -69.67 -34.15 73.58 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 177.78 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 99' ' ' ILE . . . . . 0.478 HG12 ' CD1' ' A' ' 25' ' ' LEU . 61.6 mt -62.75 -49.53 83.32 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.911 0 CA-C-N 114.586 -1.188 . . . . 0.0 109.808 178.471 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 100' ' ' HIS . . . . . 0.511 ' HB2' ' CD1' ' B' ' 110' ' ' LEU . 2.4 t-160 -56.72 -32.43 65.51 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 178.077 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -58.3 -45.66 87.57 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.523 -1.217 . . . . 0.0 112.024 179.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 102' ' ' LEU . . . . . 0.427 ' CD1' HD22 ' A' ' 25' ' ' LEU . 0.4 OUTLIER -116.68 26.03 10.14 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.696 -0.684 . . . . 0.0 112.707 -177.419 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 103' ' ' THR . . . . . 0.438 HG21 ' O ' ' B' ' 99' ' ' ILE . 31.1 p -140.45 -30.46 0.66 Allowed 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 121.07 -0.252 . . . . 0.0 111.521 179.705 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 67.1 26.97 8.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.934 0.397 . . . . 0.0 110.516 -179.57 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 105' ' ' SER . . . . . 0.429 ' HB3' ' CE1' ' A' ' 21' ' ' TYR . 18.8 m -52.98 -77.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.683 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 6.5 t 167.32 105.16 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.366 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -47.45 -34.99 7.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.92 0.391 . . . . 0.0 110.515 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.08 -42.48 84.6 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.676 178.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -64.13 -36.79 85.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.85 178.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 110' ' ' LEU . . . . . 0.511 ' CD1' ' HB2' ' B' ' 100' ' ' HIS . 33.5 mt -63.77 -37.84 88.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.854 179.123 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -62.76 -43.93 97.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.538 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -58.81 -47.27 85.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.191 179.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 113' ' ' LEU . . . . . 0.453 HD21 ' CB ' ' A' ' 14' ' ' ALA . 0.6 OUTLIER -70.07 -32.92 71.24 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.132 -0.485 . . . . 0.0 109.83 179.306 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 114' ' ' HIS . . . . . 0.694 ' O ' ' HG2' ' B' ' 118' ' ' GLN . 1.5 m-70 -53.86 -41.54 67.61 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 178.488 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 115' ' ' SER . . . . . 0.524 ' HA ' ' HG2' ' B' ' 118' ' ' GLN . 58.7 m -78.41 -33.9 48.37 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.34 179.117 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 116' ' ' VAL . . . . . 0.427 ' O ' ' CD2' ' B' ' 122' ' ' LEU . 52.0 t -56.11 -24.75 18.33 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.113 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 178.785 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 117' ' ' PHE . . . . . 0.506 ' CD2' ' HG ' ' B' ' 93' ' ' LEU . 0.6 OUTLIER -101.53 -26.75 13.44 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.49 179.926 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 118' ' ' GLN . . . . . 0.694 ' HG2' ' O ' ' B' ' 114' ' ' HIS . 35.0 mm-40 -56.89 -44.43 82.28 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.086 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -37.32 125.77 1.02 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.17 -179.139 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.73 -46.17 63.53 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.472 179.634 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -55.79 -33.72 64.64 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.368 179.319 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . 0.618 ' HG ' HD13 ' B' ' 126' ' ' LEU . 37.2 tp -55.7 -49.28 73.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.133 179.57 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 123' ' ' HIS . . . . . 0.581 ' HA ' ' CD1' ' B' ' 126' ' ' LEU . 0.0 OUTLIER -52.32 -28.5 19.47 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.102 0.477 . . . . 0.0 110.096 178.787 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 124' ' ' THR . . . . . 0.42 ' N ' ' CD2' ' B' ' 123' ' ' HIS . 10.6 m -75.52 -32.15 60.39 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.793 179.208 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . 0.482 ' HA ' ' CD1' ' A' ' 52' ' ' LEU . 29.4 mt -64.92 -50.44 66.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.829 179.565 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . 0.618 HD13 ' HG ' ' B' ' 122' ' ' LEU . 1.0 OUTLIER -63.78 -41.85 97.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.064 -179.729 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -60.86 -51.21 70.26 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.902 0.382 . . . . 0.0 110.903 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . 0.477 ' CD2' ' CD2' ' C' ' 59' ' ' TYR . 48.2 mt -72.38 -29.95 64.24 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.512 179.639 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 129' ' ' TYR . . . . . 0.573 ' HA ' ' CD1' ' A' ' 48' ' ' LEU . 0.7 OUTLIER -55.73 -53.06 61.29 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.221 -179.371 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 130' ' ' ASP . . . . . 0.422 ' HB2' HD23 ' B' ' 82' ' ' LEU . 3.7 m-20 -77.91 -31.5 51.19 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.324 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.45 -49.38 70.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.77 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 4.9 mt -78.15 -41.15 26.56 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 CA-C-O 121.003 0.43 . . . . 0.0 110.651 179.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 133' ' ' ASN . . . . . . . . . . . . . 44.9 t-20 -58.13 -25.68 61.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.937 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 134' ' ' THR . . . . . 0.422 ' O ' ' CB ' ' B' ' 135' ' ' LYS . 95.7 m -83.4 0.32 46.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.195 179.764 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 135' ' ' LYS . . . . . 0.422 ' CB ' ' O ' ' B' ' 134' ' ' THR . 6.9 mttp 81.59 -14.19 0.82 Allowed 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.847 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 C--N 1.331 -0.213 0 CA-C-O 120.799 0.333 . . . . 0.0 111.18 179.959 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.95 -37.76 88.72 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 179.131 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 51.0 mm-40 -73.82 -30.97 62.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.841 178.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -78.53 -29.58 46.57 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.756 179.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 11' ' ' THR . . . . . 0.445 HG21 ' CD2' ' C' ' 44' ' ' PHE . 97.7 m -72.06 -49.6 35.21 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.427 179.575 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -67.28 -34.71 77.98 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.942 0.401 . . . . 0.0 110.049 179.431 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 13' ' ' ARG . . . . . 0.416 ' HG2' ' CE2' ' D' ' 112' ' ' PHE . 12.1 ttp180 -74.3 -25.46 59.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.869 179.054 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 14' ' ' ALA . . . . . 0.46 ' O ' HD22 ' D' ' 113' ' ' LEU . . . -78.46 -54.96 5.6 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.625 178.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 15' ' ' LEU . . . . . 0.583 ' HB3' ' CD2' ' C' ' 44' ' ' PHE . 0.4 OUTLIER -61.93 -24.44 66.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.662 179.145 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 16' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -73.5 -47.87 37.73 Favored 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 178.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . 0.451 ' CD2' ' CE1' ' C' ' 21' ' ' TYR . 3.5 mt -61.76 -34.94 76.73 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.471 178.633 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . 0.433 ' CD2' ' CG1' ' D' ' 92' ' ' VAL . 63.3 mt -62.78 -47.58 82.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.715 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -59.12 -40.25 84.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -74.79 -36.35 62.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.192 179.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 21' ' ' TYR . . . . . 0.554 ' O ' ' HB2' ' C' ' 25' ' ' LEU . 10.6 m-30 -64.89 -46.83 80.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.521 179.741 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 22' ' ' ARG . . . . . 0.419 ' HB3' ' HB ' ' C' ' 37' ' ' ILE . 45.5 ptt85 -61.74 -44.9 96.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.6 179.758 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 23' ' ' SER . . . . . 0.404 ' N ' ' HG3' ' C' ' 22' ' ' ARG . 2.8 p -57.43 -34.71 69.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.689 179.7 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 24' ' ' LYS . . . . . 0.427 ' HG3' ' HB ' ' D' ' 103' ' ' THR . 5.1 ptmt -99.34 -7.65 25.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.586 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 25' ' ' LEU . . . . . 0.554 ' HB2' ' O ' ' C' ' 21' ' ' TYR . 0.6 OUTLIER -82.46 -68.65 0.68 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.86 0.362 . . . . 0.0 110.927 -179.929 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 26' ' ' SER . . . . . 0.471 ' HB2' ' HB2' ' C' ' 34' ' ' ARG . 32.6 t -61.99 -150.99 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.719 -179.542 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 27' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 57.15 24.33 9.61 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 121.023 0.439 . . . . 0.0 110.106 -179.385 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 28' ' ' THR . . . . . 0.45 ' CG2' ' H ' ' C' ' 29' ' ' GLU . 7.7 t -150.35 -54.54 0.16 Allowed 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.706 -179.098 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 29' ' ' GLU . . . . . 0.45 ' H ' ' CG2' ' C' ' 28' ' ' THR . 12.5 pt-20 -175.81 28.11 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.573 -179.413 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 30' ' ' ASP . . . . . 0.427 ' CB ' HD21 ' C' ' 25' ' ' LEU . 1.7 m-20 -142.13 56.2 1.46 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.979 0.419 . . . . 0.0 111.035 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 -66.99 -53.05 35.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.11 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.17 -50.78 72.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.964 179.003 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 33' ' ' LEU . . . . . 0.439 ' CD2' ' HB2' ' D' ' 95' ' ' SER . 15.7 tp -53.42 -33.11 52.69 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.086 179.083 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 34' ' ' ARG . . . . . 0.471 ' HB2' ' HB2' ' C' ' 26' ' ' SER . 6.4 ttp180 -60.4 -47.98 83.76 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.355 178.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 21.2 m -56.42 -34.8 67.12 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.458 179.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 36' ' ' SER . . . . . 0.463 ' O ' ' HG2' ' C' ' 39' ' ' ARG . 0.7 OUTLIER -64.66 -48.74 73.67 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 121.077 0.465 . . . . 0.0 110.481 179.583 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 37' ' ' ILE . . . . . 0.589 ' O ' HG12 ' C' ' 41' ' ' ILE . 5.7 mt -60.97 -39.91 83.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.332 0.587 . . . . 0.0 109.584 178.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -61.0 -51.23 70.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.897 -1.047 . . . . 0.0 111.833 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 39' ' ' ARG . . . . . 0.463 ' HG2' ' O ' ' C' ' 36' ' ' SER . 4.3 ptp85 -55.28 -41.46 72.31 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.581 -0.448 . . . . 0.0 110.118 -179.765 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . 0.436 ' O ' ' HB2' ' C' ' 44' ' ' PHE . 93.5 t -60.98 -36.99 76.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 178.344 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 41' ' ' ILE . . . . . 0.589 HG12 ' O ' ' C' ' 37' ' ' ILE . 10.5 mm -58.53 -58.86 4.81 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.103 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.247 179.524 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 18.8 p -58.94 -46.58 87.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.899 0.38 . . . . 0.0 110.649 -179.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 43' ' ' ILE . . . . . 0.454 ' HA ' ' CE2' ' D' ' 129' ' ' TYR . 11.1 mt -59.79 -34.96 57.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.158 179.308 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 44' ' ' PHE . . . . . 0.583 ' CD2' ' HB3' ' C' ' 15' ' ' LEU . 1.5 m-85 -72.42 -55.56 6.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.091 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 45' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -77.23 -1.79 31.36 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 -178.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 46' ' ' SER . . . . . 0.405 ' OG ' ' CE1' ' D' ' 129' ' ' TYR . 1.4 t -54.73 131.66 44.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.811 0.338 . . . . 0.0 111.037 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -53.44 -32.74 51.2 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . 0.507 ' C ' ' CD1' ' C' ' 48' ' ' LEU . 0.2 OUTLIER -74.64 -48.52 25.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.773 179.435 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 49' ' ' PHE . . . . . 0.459 ' HA ' ' CD2' ' C' ' 52' ' ' LEU . 47.1 t80 -50.46 -53.12 32.18 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.583 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 22.6 mm-40 -58.08 -24.74 59.74 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.054 0.454 . . . . 0.0 110.046 178.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 51' ' ' ALA . . . . . 0.424 ' CB ' ' O ' ' C' ' 48' ' ' LEU . . . -63.0 -53.56 52.01 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.929 179.761 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 52' ' ' LEU . . . . . 0.471 HD21 ' O ' ' C' ' 48' ' ' LEU . 0.0 OUTLIER -61.29 -44.03 97.9 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 120.236 -0.585 . . . . 0.0 110.365 179.824 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 53' ' ' ILE . . . . . 0.433 HG12 HD12 ' D' ' 125' ' ' LEU . 39.2 mt -51.49 -39.1 21.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-O 121.059 0.457 . . . . 0.0 110.306 179.481 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 54' ' ' ASP . . . . . 0.402 ' O ' ' CG ' ' C' ' 57' ' ' GLU . 3.3 t0 -73.46 -35.72 65.76 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.101 179.148 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 55' ' ' ILE . . . . . 0.484 HG23 HD12 ' C' ' 55' ' ' ILE . 41.5 mt -68.16 -32.33 55.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.862 179.618 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.38 -20.12 4.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.926 -179.772 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 57' ' ' GLU . . . . . 0.403 ' O ' ' CD1' ' C' ' 58' ' ' PHE . 0.2 OUTLIER -44.02 -46.64 8.48 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 111.712 0.264 . . . . 0.0 111.712 -179.618 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 58' ' ' PHE . . . . . 0.415 ' HB3' ' HG ' ' A' ' 64' ' ' LEU . 74.2 m-85 -152.55 40.02 0.58 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.683 0.277 . . . . 0.0 111.489 -179.609 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 59' ' ' TYR . . . . . 0.477 ' CD2' ' CD2' ' B' ' 128' ' ' LEU . 51.7 m-85 -134.13 80.53 1.87 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.735 179.64 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -71.96 104.14 3.43 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.629 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 61' ' ' VAL . . . . . 0.447 HG22 HG22 ' D' ' 124' ' ' THR . 0.0 OUTLIER -85.37 96.48 4.98 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 CA-C-O 120.909 0.385 . . . . 0.0 110.724 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 62' ' ' THR . . . . . 0.403 ' HB ' ' HB2' ' A' ' 60' ' ' GLU . 15.7 m -71.72 113.16 8.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.084 179.503 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 63' ' ' LEU . . . . . 0.45 ' CD2' ' CE1' ' D' ' 123' ' ' HIS . 3.5 mp -86.25 126.1 34.04 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 -179.66 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 64' ' ' LEU . . . . . 0.532 ' CD2' ' N ' ' C' ' 64' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.327 -0.411 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.476 179.728 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 82' ' ' LEU . . . . . 0.652 ' CD2' ' N ' ' D' ' 82' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.456 -0.15 0 CA-C-O 120.847 0.356 . . . . 0.0 110.803 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 83' ' ' LEU . . . . . 0.723 ' O ' ' HB3' ' D' ' 87' ' ' ARG . 0.2 OUTLIER -67.37 -47.72 69.56 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.4 -179.662 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' D' D ' 84' ' ' ALA . . . . . 0.766 ' O ' ' HB1' ' D' ' 88' ' ' ALA . . . -84.87 -17.37 38.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.54 -0.754 . . . . 0.0 111.51 -179.33 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 85' ' ' ALA . . . . . 0.47 ' CB ' ' HB3' ' D' ' 126' ' ' LEU . . . -51.81 -24.52 6.17 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.345 -0.542 . . . . 0.0 109.749 179.283 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 86' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -126.88 -36.69 2.18 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.004 178.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 87' ' ' ARG . . . . . 0.723 ' HB3' ' O ' ' D' ' 83' ' ' LEU . 19.4 ttt85 -67.5 -41.53 84.34 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.577 179.479 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 88' ' ' ALA . . . . . 0.766 ' HB1' ' O ' ' D' ' 84' ' ' ALA . . . -66.22 -43.02 87.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.445 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 89' ' ' VAL . . . . . 0.46 ' CG1' ' HB3' ' D' ' 117' ' ' PHE . 64.7 t -70.41 -46.46 70.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.099 179.018 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 37.9 t -65.41 -25.09 67.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.537 179.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 91' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -67.5 -56.91 7.66 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.64 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 92' ' ' VAL . . . . . 0.462 ' CG2' ' HA ' ' C' ' 37' ' ' ILE . 6.4 t -67.37 -28.1 41.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.016 179.089 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 93' ' ' LEU . . . . . 0.599 HD23 ' HA ' ' D' ' 114' ' ' HIS . 1.6 mt -64.29 -36.22 83.41 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.017 179.385 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -84.61 -35.11 22.93 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.865 0.364 . . . . 0.0 110.995 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 95' ' ' SER . . . . . 0.482 ' O ' ' N ' ' D' ' 98' ' ' GLU . 0.1 OUTLIER -80.24 -26.43 39.06 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.104 -0.498 . . . . 0.0 112.13 -179.335 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' D' D ' 96' ' ' LEU . . . . . 0.503 ' O ' ' HB ' ' D' ' 99' ' ' ILE . 0.2 OUTLIER -34.71 -52.3 0.52 Allowed 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 112.581 0.585 . . . . 0.0 112.581 -178.806 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -69.86 -30.39 67.84 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.911 0.386 . . . . 0.0 111.007 -179.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 98' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' D' ' 95' ' ' SER . 0.0 OUTLIER -68.99 -33.96 74.52 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 177.546 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' D' D ' 99' ' ' ILE . . . . . 0.503 ' HB ' ' O ' ' D' ' 96' ' ' LEU . 4.8 mt -61.57 -49.54 83.98 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.761 0 CA-C-N 114.47 -1.241 . . . . 0.0 110.079 178.554 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 100' ' ' HIS . . . . . 0.487 ' HB2' ' CD1' ' D' ' 110' ' ' LEU . 2.0 t-160 -57.68 -33.39 68.3 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 178.472 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 101' ' ' ALA . . . . . . . . . . . . . . . -57.07 -45.26 83.43 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 114.529 -1.214 . . . . 0.0 111.962 179.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 102' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' D' ' 98' ' ' GLU . 0.4 OUTLIER -117.74 30.96 6.97 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.617 -0.72 . . . . 0.0 112.671 -177.423 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' D' D ' 103' ' ' THR . . . . . 0.427 ' HB ' ' HG3' ' C' ' 24' ' ' LYS . 31.2 p -145.83 -34.02 0.32 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.638 0.256 . . . . 0.0 111.393 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 70.9 27.2 3.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.783 0.325 . . . . 0.0 110.402 -179.537 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 105' ' ' SER . . . . . . . . . . . . . 11.3 m -53.8 -76.88 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.733 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 106' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 166.84 103.91 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.424 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -47.34 -30.87 3.46 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.862 0.363 . . . . 0.0 110.535 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 11.4 mmtm -69.0 -44.7 72.27 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 178.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 109' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.52 -36.06 82.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.678 178.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 110' ' ' LEU . . . . . 0.487 ' CD1' ' HB2' ' D' ' 100' ' ' HIS . 27.1 mt -62.08 -39.9 93.98 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.003 179.146 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 111' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.16 -41.43 97.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.472 179.672 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 112' ' ' PHE . . . . . 0.416 ' CE2' ' HG2' ' C' ' 13' ' ' ARG . 2.0 t80 -58.56 -42.53 88.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.211 179.508 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 113' ' ' LEU . . . . . 0.46 HD22 ' O ' ' C' ' 14' ' ' ALA . 0.5 OUTLIER -72.82 -32.87 65.82 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.57 179.821 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' D' D ' 114' ' ' HIS . . . . . 0.599 ' HA ' HD23 ' D' ' 93' ' ' LEU . 41.2 m170 -58.12 -34.98 70.82 Favored 'General case' 0 CA--C 1.516 -0.331 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 178.169 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 115' ' ' SER . . . . . . . . . . . . . 65.9 m -74.28 -38.56 63.36 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.215 178.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 116' ' ' VAL . . . . . 0.432 ' O ' ' CD2' ' D' ' 122' ' ' LEU . 54.2 t -60.6 -23.7 29.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.965 178.473 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 117' ' ' PHE . . . . . 0.46 ' HB3' ' CG1' ' D' ' 89' ' ' VAL . 28.8 m-85 -103.37 -30.43 10.6 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.197 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 118' ' ' GLN . . . . . 0.405 ' NE2' ' CD1' ' D' ' 93' ' ' LEU . 0.0 OUTLIER -63.57 -32.08 73.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.447 -179.12 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -43.89 122.69 2.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.578 -179.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 120' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.23 -47.57 79.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.92 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 121' ' ' HIS . . . . . . . . . . . . . 10.4 m170 -55.2 -33.2 62.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.669 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 122' ' ' LEU . . . . . 0.433 ' HA ' ' CD1' ' D' ' 125' ' ' LEU . 51.1 tp -55.68 -44.7 77.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.92 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 123' ' ' HIS . . . . . 0.599 ' HA ' ' CD1' ' D' ' 126' ' ' LEU . 0.0 OUTLIER -59.79 -23.31 63.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.951 0.405 . . . . 0.0 110.025 179.362 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' D' D ' 124' ' ' THR . . . . . 0.447 HG22 HG22 ' C' ' 61' ' ' VAL . 19.4 m -77.8 -34.73 52.04 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.822 -0.627 . . . . 0.0 109.694 178.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 125' ' ' LEU . . . . . 0.433 ' CD1' ' HA ' ' D' ' 122' ' ' LEU . 9.5 mt -69.58 -40.68 76.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.194 178.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 126' ' ' LEU . . . . . 0.599 ' CD1' ' HA ' ' D' ' 123' ' ' HIS . 1.2 mt -65.48 -45.9 81.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.09 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 127' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -65.68 -41.77 92.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.889 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 128' ' ' LEU . . . . . 0.462 ' CD2' ' CD2' ' A' ' 59' ' ' TYR . 20.2 mt -75.31 -30.72 60.43 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 129' ' ' TYR . . . . . 0.483 ' HA ' ' CD1' ' C' ' 48' ' ' LEU . 0.1 OUTLIER -62.62 -53.56 52.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.358 -179.049 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' D' D ' 130' ' ' ASP . . . . . 0.433 ' HB2' HD22 ' D' ' 82' ' ' LEU . 11.2 m-20 -77.53 -31.46 53.4 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.826 -179.176 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.31 -41.3 93.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.656 0.265 . . . . 0.0 110.849 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 132' ' ' ILE . . . . . . . . . . . . . 8.0 mt -81.54 -43.31 20.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.04 0.448 . . . . 0.0 110.393 179.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 133' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.708 179.549 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.62 -38.88 90.69 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 121.183 0.516 . . . . 0.0 109.692 179.117 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 65.5 mm-40 -77.82 -26.85 49.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.437 -0.802 . . . . 0.0 109.964 178.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -80.49 -31.23 37.31 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.367 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.3 p -75.04 -41.23 59.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.317 179.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.97 -38.79 72.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.411 179.512 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.2 ttt85 -74.64 -24.67 58.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.971 179.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.434 ' O ' HD22 ' B' ' 113' ' ' LEU . . . -78.68 -51.32 10.02 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.723 179.1 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.551 ' CD2' ' HB3' ' A' ' 44' ' ' PHE . 0.4 OUTLIER -64.57 -28.58 69.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.868 179.604 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -73.63 -46.53 46.25 Favored 'General case' 0 CA--C 1.519 -0.233 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 179.018 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.43 HD21 ' CE1' ' A' ' 21' ' ' TYR . 1.1 mt -59.86 -43.06 94.87 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.857 179.082 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.444 ' HB3' ' CG2' ' A' ' 37' ' ' ILE . 20.3 mt -60.34 -42.0 94.76 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.649 179.708 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.74 -42.36 88.64 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.074 0.464 . . . . 0.0 110.497 179.739 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.28 -33.24 69.56 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.657 179.294 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.682 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 15.0 m-30 -66.43 -47.97 71.53 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.714 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.436 ' HB3' HD12 ' A' ' 37' ' ' ILE . 3.3 ptm180 -58.74 -44.4 90.48 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 120.824 0.345 . . . . 0.0 110.706 179.734 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.44 -37.35 75.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.538 179.512 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.5 ptmt -100.29 5.54 44.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.374 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.682 ' HB2' ' O ' ' A' ' 21' ' ' TYR . 0.4 OUTLIER -94.29 -68.01 0.82 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.841 0.353 . . . . 0.0 111.343 -179.484 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.47 ' HB2' ' HB2' ' A' ' 34' ' ' ARG . 37.4 t -63.55 -149.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.736 -179.276 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 55.24 24.96 6.84 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 121.142 0.496 . . . . 0.0 110.065 -179.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.477 ' CG2' ' H ' ' A' ' 29' ' ' GLU . 6.6 t -149.13 -56.69 0.2 Allowed 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.729 -179.375 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.477 ' H ' ' CG2' ' A' ' 28' ' ' THR . 17.2 pt-20 -178.11 28.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.586 -179.331 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.43 ' HB3' ' HB3' ' A' ' 33' ' ' LEU . 0.7 OUTLIER -141.8 46.81 1.66 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.03 0.443 . . . . 0.0 111.175 -179.603 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.71 -55.34 35.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.421 0.629 . . . . 0.0 110.209 179.674 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.94 -47.63 74.22 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.488 178.656 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.43 ' HB3' ' HB3' ' A' ' 30' ' ' ASP . 15.9 tp -54.72 -32.31 59.45 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.676 178.414 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.47 ' HB2' ' HB2' ' A' ' 26' ' ' SER . 1.8 ttp180 -60.97 -44.43 97.36 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 178.383 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.4 -37.61 72.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.102 -0.953 . . . . 0.0 110.369 178.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.429 ' HB2' HE21 ' B' ' 91' ' ' GLN . 25.1 p -60.19 -51.59 68.91 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.11 0.481 . . . . 0.0 110.308 179.536 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.585 ' O ' HG12 ' A' ' 41' ' ' ILE . 5.4 mt -56.19 -43.66 76.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.209 179.293 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -54.68 -44.39 73.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.839 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.42 ' HB3' ' CB ' ' B' ' 88' ' ' ALA . 18.1 mtt180 -56.53 -49.77 73.8 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.232 0.539 . . . . 0.0 110.009 179.415 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.498 ' CG1' ' CE2' ' A' ' 44' ' ' PHE . 24.9 t -60.55 -34.71 59.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.66 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.585 HG12 ' O ' ' A' ' 37' ' ' ILE . 7.8 mm -69.69 -53.65 23.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.478 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.4 t -62.3 -48.95 77.61 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-O 120.899 0.38 . . . . 0.0 110.851 -179.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.467 HD13 HG22 ' A' ' 43' ' ' ILE . 8.8 mt -59.79 -32.76 50.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.333 179.593 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.551 ' HB3' ' CD2' ' A' ' 15' ' ' LEU . 0.4 OUTLIER -72.24 -55.52 7.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.069 -0.514 . . . . 0.0 112.072 179.862 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.444 ' HG2' ' O ' ' A' ' 41' ' ' ILE . 4.2 pt20 -79.35 -0.03 30.96 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.284 0.476 . . . . 0.0 112.284 -178.445 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.408 ' OG ' ' CE1' ' B' ' 129' ' ' TYR . 1.2 t -53.56 128.92 30.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.757 0.313 . . . . 0.0 110.966 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -49.85 -31.29 11.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.525 ' CD1' ' HA ' ' B' ' 129' ' ' TYR . 0.3 OUTLIER -76.9 -48.42 18.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.073 179.674 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.438 ' CD2' HD12 ' A' ' 53' ' ' ILE . 55.3 t80 -51.02 -48.89 61.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.346 -179.612 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -56.63 -44.26 81.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.827 0.346 . . . . 0.0 110.921 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.74 -44.45 90.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.605 179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.439 ' CD1' ' N ' ' B' ' 129' ' ' TYR . 0.5 OUTLIER -61.49 -45.35 94.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.289 179.473 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.447 HD11 HG21 ' A' ' 53' ' ' ILE . 47.8 mt -54.5 -37.22 37.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.405 179.326 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.407 ' O ' ' CG ' ' A' ' 57' ' ' GLU . 14.2 t0 -63.65 -50.12 70.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.435 179.591 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 67.0 mt -53.0 -34.24 20.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.091 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.419 ' HG2' ' CE1' ' B' ' 121' ' ' HIS . 0.0 OUTLIER -53.22 -20.62 4.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.762 -179.763 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.417 ' O ' ' CD1' ' A' ' 58' ' ' PHE . 0.2 OUTLIER -45.13 -47.28 12.19 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 111.743 0.275 . . . . 0.0 111.743 -179.59 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.433 ' HB3' ' HG ' ' C' ' 64' ' ' LEU . 73.7 m-85 -152.85 39.54 0.54 Allowed 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 121.038 -0.265 . . . . 0.0 111.713 -179.299 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.423 ' CE2' HD12 ' C' ' 63' ' ' LEU . 22.2 m-85 -134.08 71.33 1.45 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.841 0.353 . . . . 0.0 110.891 179.66 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -60.63 105.24 0.42 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.791 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -85.43 96.98 5.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.992 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.442 ' HB ' ' HB2' ' C' ' 60' ' ' GLU . 76.2 m -71.44 122.78 21.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.569 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.462 ' CD1' ' CE2' ' C' ' 59' ' ' TYR . 1.2 mp -95.23 119.78 34.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.839 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.484 ' CD2' ' N ' ' A' ' 64' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.639 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . 0.67 ' CD2' ' N ' ' B' ' 82' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.813 0.339 . . . . 0.0 110.657 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . 0.779 ' O ' ' HB3' ' B' ' 87' ' ' ARG . 0.3 OUTLIER -67.63 -41.36 84.05 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.94 -179.342 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . 0.618 ' O ' ' HB3' ' B' ' 88' ' ' ALA . . . -93.4 -19.76 20.99 Favored 'General case' 0 C--N 1.328 -0.35 0 O-C-N 123.793 0.683 . . . . 0.0 112.312 -178.44 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 85' ' ' ALA . . . . . 0.437 ' HB2' ' HB2' ' B' ' 126' ' ' LEU . . . -51.81 -26.24 9.4 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.472 -179.391 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . 0.408 ' HG3' ' CE1' ' B' ' 123' ' ' HIS . 4.4 tt0 -120.89 -41.71 2.54 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.432 178.449 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 87' ' ' ARG . . . . . 0.779 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 38.8 ttt180 -60.09 -56.64 19.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.061 -0.972 . . . . 0.0 110.188 178.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . 0.618 ' HB3' ' O ' ' B' ' 84' ' ' ALA . . . -57.35 -38.24 73.85 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.633 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 89' ' ' VAL . . . . . 0.456 ' CG1' ' HB3' ' B' ' 117' ' ' PHE . 25.0 t -68.12 -42.47 85.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.331 179.094 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 90' ' ' SER . . . . . 0.421 ' HA ' ' HB2' ' B' ' 93' ' ' LEU . 35.5 t -75.04 -23.7 58.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.837 179.713 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 91' ' ' GLN . . . . . 0.429 HE21 ' HB2' ' A' ' 36' ' ' SER . 17.4 mt-30 -66.52 -57.68 6.8 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 121.282 0.563 . . . . 0.0 109.844 179.561 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 92' ' ' VAL . . . . . 0.459 HG23 ' HA ' ' A' ' 37' ' ' ILE . 10.2 t -67.84 -28.11 40.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.034 179.286 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 93' ' ' LEU . . . . . 0.564 HD22 ' HA ' ' B' ' 114' ' ' HIS . 5.8 mt -68.36 -29.68 68.46 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.99 179.648 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -85.12 -40.61 16.56 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.945 0.402 . . . . 0.0 111.102 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 95' ' ' SER . . . . . 0.414 ' CB ' HD12 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -80.0 -15.18 57.76 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.995 -179.441 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . 0.461 ' O ' ' HB ' ' B' ' 99' ' ' ILE . 0.1 OUTLIER -38.87 -52.51 1.75 Allowed 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -179.316 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -70.09 -30.0 67.12 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.967 -179.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.56 -32.86 71.9 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 177.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 99' ' ' ILE . . . . . 0.518 HG12 ' CD1' ' A' ' 25' ' ' LEU . 48.3 mt -63.4 -49.51 82.51 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.859 0 CA-C-N 114.64 -1.164 . . . . 0.0 109.883 178.691 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 100' ' ' HIS . . . . . 0.503 ' HB2' ' CD1' ' B' ' 110' ' ' LEU . 1.3 t-160 -56.61 -33.75 66.55 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 178.046 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -55.71 -45.97 77.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.488 -1.233 . . . . 0.0 111.411 179.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 102' ' ' LEU . . . . . 0.415 ' CD1' HD21 ' A' ' 25' ' ' LEU . 0.4 OUTLIER -118.01 35.97 4.52 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.543 -0.753 . . . . 0.0 112.598 -177.739 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 103' ' ' THR . . . . . 0.448 HG21 ' O ' ' B' ' 99' ' ' ILE . 38.0 p -152.69 -32.94 0.13 Allowed 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.87 -0.332 . . . . 0.0 111.62 179.636 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 7.9 t70 73.87 25.38 1.94 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.051 0.453 . . . . 0.0 110.652 -179.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 105' ' ' SER . . . . . 0.445 ' HB3' ' CZ ' ' A' ' 21' ' ' TYR . 29.5 m -60.37 -17.2 41.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.165 179.727 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 106' ' ' SER . . . . . 0.413 ' CB ' ' O ' ' B' ' 105' ' ' SER . 4.2 t 80.6 122.85 0.05 OUTLIER 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 120.912 0.387 . . . . 0.0 110.777 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -52.75 -26.3 13.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.035 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.18 -54.6 44.96 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.175 0.512 . . . . 0.0 110.081 179.496 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -62.43 -41.75 98.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.868 179.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 110' ' ' LEU . . . . . 0.503 ' CD1' ' HB2' ' B' ' 100' ' ' HIS . 70.0 mt -59.97 -36.72 77.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.039 179.063 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 111' ' ' ASP . . . . . 0.432 ' HA ' ' HD1' ' B' ' 114' ' ' HIS . 6.7 m-20 -61.88 -48.87 78.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.874 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -58.89 -36.97 75.56 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.78 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 113' ' ' LEU . . . . . 0.434 HD22 ' O ' ' A' ' 14' ' ' ALA . 0.5 OUTLIER -76.62 -32.77 58.26 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.253 -179.713 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 114' ' ' HIS . . . . . 0.564 ' HA ' HD22 ' B' ' 93' ' ' LEU . 0.0 OUTLIER -61.73 -35.04 76.91 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 178.378 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 115' ' ' SER . . . . . 0.466 ' N ' ' CD2' ' B' ' 114' ' ' HIS . 1.0 OUTLIER -74.02 -36.77 64.48 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 178.096 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 116' ' ' VAL . . . . . 0.432 HG12 ' CE1' ' B' ' 117' ' ' PHE . 69.3 t -63.44 -23.19 32.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.708 178.346 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 117' ' ' PHE . . . . . 0.456 ' HB3' ' CG1' ' B' ' 89' ' ' VAL . 4.0 m-30 -107.39 -14.89 14.76 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.605 -179.626 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 118' ' ' GLN . . . . . 0.407 ' HB2' ' O ' ' B' ' 114' ' ' HIS . 0.0 OUTLIER -81.61 -31.88 32.26 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.676 0.274 . . . . 0.0 111.596 -179.453 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -41.56 133.76 2.54 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.959 -179.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -72.04 -47.06 54.46 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.649 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 121' ' ' HIS . . . . . 0.419 ' CE1' ' HG2' ' A' ' 56' ' ' GLN . 1.8 t-80 -55.78 -33.68 64.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.223 179.383 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . 0.437 ' CD2' ' HA ' ' B' ' 117' ' ' PHE . 50.1 tp -55.59 -47.81 75.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.898 179.508 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 123' ' ' HIS . . . . . 0.676 ' HA ' ' CD1' ' B' ' 126' ' ' LEU . 50.5 m-70 -52.74 -27.9 19.8 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.041 178.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 5.0 m -76.52 -32.85 58.51 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.95 179.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . 0.429 ' CD1' ' HA ' ' B' ' 122' ' ' LEU . 20.1 mt -66.64 -41.59 88.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.179 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . 0.676 ' CD1' ' HA ' ' B' ' 123' ' ' HIS . 0.3 OUTLIER -72.98 -41.72 64.05 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.755 0.312 . . . . 0.0 111.021 -179.851 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.11 -46.3 90.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.222 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . 0.452 ' CD2' ' CD2' ' C' ' 59' ' ' TYR . 9.1 mt -77.08 -32.34 56.67 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.694 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 129' ' ' TYR . . . . . 0.525 ' HA ' ' CD1' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -56.49 -53.13 61.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.932 -179.501 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 130' ' ' ASP . . . . . 0.509 ' HB2' HD23 ' B' ' 82' ' ' LEU . 17.6 m-20 -77.21 -34.96 56.04 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.301 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -56.71 -45.76 81.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.914 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 5.4 mt -76.89 -39.12 29.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.876 0.37 . . . . 0.0 110.713 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 133' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -60.38 -28.44 68.21 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.911 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 89.5 m -87.27 -49.31 7.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.174 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.65 -35.16 75.52 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.985 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 84.2 p . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.801 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 7' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.23 -40.18 93.07 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 121.205 0.526 . . . . 0.0 109.794 179.039 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 53.8 mm-40 -73.93 -32.29 63.45 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.987 179.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -75.61 -29.49 59.24 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.114 179.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 11' ' ' THR . . . . . 0.443 HG22 ' CD2' ' C' ' 44' ' ' PHE . 63.0 m -69.82 -49.58 51.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.71 179.724 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 12' ' ' GLN . . . . . 0.404 ' O ' ' CG ' ' C' ' 16' ' ' HIS . 0.8 OUTLIER -66.71 -37.08 83.97 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.909 -0.317 . . . . 0.0 110.365 179.877 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 9.1 ttt85 -73.86 -24.68 59.78 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.118 179.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 14' ' ' ALA . . . . . 0.46 ' O ' HD21 ' D' ' 113' ' ' LEU . . . -78.7 -55.12 5.42 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 116.086 -0.507 . . . . 0.0 109.749 178.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 15' ' ' LEU . . . . . 0.609 ' HB3' ' CD2' ' C' ' 44' ' ' PHE . 0.4 OUTLIER -63.6 -24.74 67.92 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.955 179.256 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' C' C ' 16' ' ' HIS . . . . . 0.404 ' CG ' ' O ' ' C' ' 12' ' ' GLN . 9.3 m170 -73.23 -48.79 32.05 Favored 'General case' 0 CA--C 1.518 -0.251 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 178.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . 0.43 HD21 ' CZ ' ' C' ' 21' ' ' TYR . 2.1 mt -60.2 -37.96 81.85 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.419 -0.809 . . . . 0.0 109.383 178.657 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . 0.464 ' HB3' HG21 ' C' ' 37' ' ' ILE . 11.8 mt -65.86 -41.0 92.22 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.315 179.389 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -57.89 -39.49 77.98 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.75 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -73.7 -37.03 65.31 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.147 179.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 21' ' ' TYR . . . . . 0.43 ' CZ ' HD21 ' C' ' 17' ' ' LEU . 22.9 m-85 -65.14 -46.62 80.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.835 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 22' ' ' ARG . . . . . 0.453 ' HB2' ' CG ' ' C' ' 34' ' ' ARG . 1.0 OUTLIER -59.38 -49.36 78.1 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.782 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' C' C ' 23' ' ' SER . . . . . 0.43 ' N ' ' HG3' ' C' ' 22' ' ' ARG . 0.3 OUTLIER -58.19 -32.85 68.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.26 179.893 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' C' C ' 24' ' ' LYS . . . . . . . . . . . . . 7.0 ptmt -101.65 5.13 41.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.426 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 25' ' ' LEU . . . . . 0.497 HD12 HD11 ' C' ' 37' ' ' ILE . 3.8 mt -92.77 -62.91 1.29 Allowed 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -179.291 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 26' ' ' SER . . . . . 0.674 ' HB2' ' HD2' ' C' ' 31' ' ' ARG . 52.6 p -57.76 -18.38 21.2 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.142 -0.481 . . . . 0.0 112.044 -178.781 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 27' ' ' GLN . . . . . 0.5 ' OE1' ' OG ' ' C' ' 26' ' ' SER . 1.1 mm100 -78.76 50.08 0.96 Allowed 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.536 -179.119 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 28' ' ' THR . . . . . 0.484 ' CG2' ' N ' ' C' ' 29' ' ' GLU . 0.7 OUTLIER -177.28 -54.47 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.627 0.251 . . . . 0.0 111.326 179.249 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' C' C ' 29' ' ' GLU . . . . . 0.484 ' N ' ' CG2' ' C' ' 28' ' ' THR . 6.3 pt-20 179.15 27.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.329 -179.743 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -126.11 36.19 4.55 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.79 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . 0.674 ' HD2' ' HB2' ' C' ' 26' ' ' SER . 25.3 mmm180 -55.08 -51.55 66.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.265 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 21.8 tp60 -61.67 -47.3 85.97 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.864 178.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 33' ' ' LEU . . . . . 0.402 HD13 ' CB ' ' D' ' 95' ' ' SER . 12.2 tp -56.05 -37.05 68.73 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.464 179.208 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 34' ' ' ARG . . . . . 0.588 ' HB2' ' HB3' ' C' ' 26' ' ' SER . 16.5 ttt180 -60.91 -40.23 92.35 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 178.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 5.2 m -58.25 -40.15 81.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.228 178.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 36' ' ' SER . . . . . 0.457 ' O ' ' CG ' ' C' ' 39' ' ' ARG . 36.8 p -66.24 -48.76 69.48 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.221 0.534 . . . . 0.0 110.283 179.367 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 37' ' ' ILE . . . . . 0.547 ' O ' HG12 ' C' ' 41' ' ' ILE . 7.2 mt -58.82 -36.97 63.76 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.88 179.235 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -59.77 -52.68 64.43 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.062 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 39' ' ' ARG . . . . . 0.612 ' HG3' ' HB1' ' D' ' 88' ' ' ALA . 3.6 ptp85 -56.4 -31.9 64.32 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 179.399 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . 0.537 ' O ' ' HB2' ' C' ' 44' ' ' PHE . 17.9 t -70.45 -35.6 62.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.991 178.27 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 41' ' ' ILE . . . . . 0.547 HG12 ' O ' ' C' ' 37' ' ' ILE . 9.8 mm -69.04 -55.53 15.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.615 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 17.7 p -61.43 -48.35 81.59 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 120.931 0.396 . . . . 0.0 110.83 -179.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 43' ' ' ILE . . . . . 0.435 ' O ' ' CG ' ' C' ' 49' ' ' PHE . 17.3 mt -59.76 -33.1 51.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.239 179.417 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 44' ' ' PHE . . . . . 0.609 ' CD2' ' HB3' ' C' ' 15' ' ' LEU . 1.8 m-85 -72.46 -57.66 4.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.699 179.451 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 45' ' ' GLN . . . . . 0.415 ' NE2' HG23 ' C' ' 41' ' ' ILE . 5.0 pt20 -78.05 -2.93 39.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.772 -178.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 46' ' ' SER . . . . . 0.486 ' CB ' ' CE1' ' D' ' 129' ' ' TYR . 1.2 m -47.89 127.58 12.2 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.799 0.333 . . . . 0.0 110.813 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -47.82 -34.35 8.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.239 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . 0.447 ' HG ' ' HA ' ' D' ' 129' ' ' TYR . 1.7 tp -79.89 -43.69 21.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.092 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 49' ' ' PHE . . . . . 0.435 ' CG ' ' O ' ' C' ' 43' ' ' ILE . 50.6 t80 -51.16 -56.29 13.52 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.588 0.232 . . . . 0.0 111.246 -179.669 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -55.97 -34.74 66.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.955 0.407 . . . . 0.0 110.472 179.645 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.15 -47.84 83.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.551 179.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 52' ' ' LEU . . . . . 0.407 ' CD1' ' N ' ' D' ' 129' ' ' TYR . 1.2 mt -59.67 -44.28 93.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.429 179.536 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 37.3 mt -52.66 -43.15 43.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.69 179.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.52 -33.87 75.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.312 179.463 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 55' ' ' ILE . . . . . 0.469 HD11 HG23 ' C' ' 55' ' ' ILE . 73.1 mt -66.63 -43.49 90.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.809 179.611 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.04 -22.8 6.36 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.692 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 57' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -49.61 -32.51 13.02 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.58 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 58' ' ' PHE . . . . . 0.434 ' HA ' ' HG ' ' A' ' 64' ' ' LEU . 96.9 m-85 -155.05 25.08 0.43 Allowed 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.033 0.382 . . . . 0.0 112.033 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 59' ' ' TYR . . . . . 0.462 ' CE2' ' CD1' ' A' ' 63' ' ' LEU . 14.1 m-85 -132.21 70.96 1.46 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.316 -0.402 . . . . 0.0 109.967 179.254 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 60' ' ' GLU . . . . . 0.442 ' HB2' ' HB ' ' A' ' 62' ' ' THR . 1.7 mt-10 -59.17 96.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.083 -179.203 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 61' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -72.76 96.73 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.951 0.405 . . . . 0.0 110.593 179.62 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 62' ' ' THR . . . . . . . . . . . . . 17.8 m -84.64 117.35 23.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.909 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 63' ' ' LEU . . . . . 0.423 HD12 ' CE2' ' A' ' 59' ' ' TYR . 0.1 OUTLIER -90.82 130.69 36.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.413 179.618 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' C' C ' 64' ' ' LEU . . . . . 0.467 ' CD2' ' N ' ' C' ' 64' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.433 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.554 -179.609 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 82' ' ' LEU . . . . . 0.603 ' CD2' ' N ' ' D' ' 82' ' ' LEU . 0.3 OUTLIER . . . . . 0 CA--C 1.522 -0.115 0 CA-C-O 121.076 0.465 . . . . 0.0 110.222 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 83' ' ' LEU . . . . . 0.705 ' O ' ' HB3' ' D' ' 87' ' ' ARG . 0.2 OUTLIER -60.02 -50.4 73.89 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.65 -179.604 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' D' D ' 84' ' ' ALA . . . . . 0.704 ' O ' ' HB2' ' D' ' 88' ' ' ALA . . . -73.83 -22.41 59.79 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.171 -179.429 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 85' ' ' ALA . . . . . 0.484 ' O ' ' CD1' ' D' ' 126' ' ' LEU . . . -52.05 -26.63 11.35 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 179.105 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 86' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -125.41 -39.61 2.17 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.009 178.629 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 87' ' ' ARG . . . . . 0.705 ' HB3' ' O ' ' D' ' 83' ' ' LEU . 9.4 ttt-85 -64.52 -38.65 91.77 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.767 179.355 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 88' ' ' ALA . . . . . 0.704 ' HB2' ' O ' ' D' ' 84' ' ' ALA . . . -69.89 -46.52 65.29 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.139 -179.614 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 89' ' ' VAL . . . . . 0.501 ' CG1' ' HB3' ' D' ' 117' ' ' PHE . 21.2 t -74.8 -31.93 27.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.099 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 90' ' ' SER . . . . . 0.46 ' HA ' ' HB2' ' D' ' 93' ' ' LEU . 72.2 m -76.12 -43.82 41.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.106 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 91' ' ' GLN . . . . . 0.411 ' NE2' ' HA ' ' D' ' 88' ' ' ALA . 7.6 pt20 -62.18 -49.38 76.04 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-O 121.309 0.576 . . . . 0.0 109.618 179.695 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 92' ' ' VAL . . . . . 0.416 HG23 HG22 ' C' ' 40' ' ' VAL . 75.8 t -66.05 -27.75 41.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.274 177.727 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 93' ' ' LEU . . . . . 0.554 ' CD2' ' HA ' ' D' ' 114' ' ' HIS . 1.1 mt -58.24 -41.93 85.24 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.818 179.072 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -80.52 -27.06 37.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.099 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 95' ' ' SER . . . . . 0.402 ' CB ' HD13 ' C' ' 33' ' ' LEU . 5.8 m -79.1 -20.13 49.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.814 -179.564 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 96' ' ' LEU . . . . . 0.532 ' O ' ' HB ' ' D' ' 99' ' ' ILE . 0.2 OUTLIER -43.96 -52.38 7.0 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.009 0.433 . . . . 0.0 112.145 -179.421 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -67.47 -27.62 67.18 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.96 -36.79 75.5 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.601 -1.259 . . . . 0.0 107.601 177.696 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 99' ' ' ILE . . . . . 0.532 ' HB ' ' O ' ' D' ' 96' ' ' LEU . 82.1 mt -58.31 -45.98 89.15 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.704 0 CA-C-N 114.456 -1.247 . . . . 0.0 109.593 178.015 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 100' ' ' HIS . . . . . 0.632 ' HB2' ' CD1' ' D' ' 110' ' ' LEU . 5.4 t-160 -55.05 -43.24 73.62 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 178.25 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 101' ' ' ALA . . . . . . . . . . . . . . . -50.46 -43.19 55.12 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 113.793 -1.549 . . . . 0.0 112.257 179.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 102' ' ' LEU . . . . . 0.47 ' CD1' ' CD2' ' C' ' 25' ' ' LEU . 0.3 OUTLIER -118.49 28.97 8.01 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 113.029 0.751 . . . . 0.0 113.029 -177.499 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' D' D ' 103' ' ' THR . . . . . 0.429 HG22 HD12 ' D' ' 102' ' ' LEU . 25.3 p -152.82 -9.93 0.17 Allowed 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 113.094 0.776 . . . . 0.0 113.094 179.726 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 2.5 p30 46.12 27.95 0.59 Allowed 'General case' 0 CA--C 1.529 0.146 0 CA-C-O 120.826 0.346 . . . . 0.0 110.934 -179.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 105' ' ' SER . . . . . 0.415 ' OG ' ' CE1' ' C' ' 21' ' ' TYR . 7.0 t -48.41 -82.02 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.093 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 106' ' ' SER . . . . . . . . . . . . . 9.6 t 169.35 109.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.382 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -49.29 -36.81 21.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.759 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.45 -47.94 79.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 109.968 179.339 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 109' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -63.09 -36.09 82.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.676 178.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 110' ' ' LEU . . . . . 0.632 ' CD1' ' HB2' ' D' ' 100' ' ' HIS . 17.5 mt -61.27 -52.76 63.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.069 179.132 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 111' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -53.77 -40.66 66.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.877 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 112' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -59.04 -45.78 89.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.635 179.79 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 113' ' ' LEU . . . . . 0.46 HD21 ' O ' ' C' ' 14' ' ' ALA . 0.5 OUTLIER -70.51 -29.01 65.4 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.125 -179.647 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' D' D ' 114' ' ' HIS . . . . . 0.554 ' HA ' ' CD2' ' D' ' 93' ' ' LEU . 48.8 m80 -62.75 -38.26 89.85 Favored 'General case' 0 CA--C 1.516 -0.332 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 178.338 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 115' ' ' SER . . . . . . . . . . . . . 71.0 m -71.8 -37.8 70.36 Favored 'General case' 0 CA--C 1.517 -0.322 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 178.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 116' ' ' VAL . . . . . 0.414 ' O ' ' CD2' ' D' ' 122' ' ' LEU . 44.6 t -61.53 -23.35 30.46 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.627 178.296 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 117' ' ' PHE . . . . . 0.501 ' HB3' ' CG1' ' D' ' 89' ' ' VAL . 9.4 m-30 -105.09 -23.57 12.91 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.47 -179.709 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 118' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' D' ' 114' ' ' HIS . 0.0 OUTLIER -71.16 -30.48 66.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.857 0.36 . . . . 0.0 111.47 -179.399 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -42.68 133.57 3.43 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.86 -179.322 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 120' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -76.7 -49.49 15.95 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.561 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 121' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -55.94 -34.0 65.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.298 179.548 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 122' ' ' LEU . . . . . 0.419 ' HA ' ' CD1' ' D' ' 125' ' ' LEU . 29.8 tp -55.88 -46.51 78.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.031 179.467 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 123' ' ' HIS . . . . . 0.609 ' HA ' ' CD1' ' D' ' 126' ' ' LEU . 48.8 m170 -53.86 -26.67 25.74 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.143 0.497 . . . . 0.0 109.82 178.729 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 124' ' ' THR . . . . . . . . . . . . . 2.6 m -76.4 -33.88 58.86 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.41 178.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 125' ' ' LEU . . . . . 0.419 ' CD1' ' HA ' ' D' ' 122' ' ' LEU . 13.2 mt -70.24 -40.88 74.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.509 179.382 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 126' ' ' LEU . . . . . 0.609 ' CD1' ' HA ' ' D' ' 123' ' ' HIS . 0.5 OUTLIER -69.12 -40.69 78.17 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.253 -179.679 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' D' D ' 127' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -64.31 -53.19 52.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.805 0.336 . . . . 0.0 111.095 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 128' ' ' LEU . . . . . 0.419 HD22 ' CD2' ' A' ' 59' ' ' TYR . 36.7 mt -62.06 -42.06 98.8 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.3 -179.722 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 129' ' ' TYR . . . . . 0.486 ' CE1' ' CB ' ' C' ' 46' ' ' SER . 0.1 OUTLIER -55.81 -51.43 67.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.933 0.397 . . . . 0.0 111.145 -179.257 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' D' D ' 130' ' ' ASP . . . . . 0.437 ' CB ' HD21 ' D' ' 82' ' ' LEU . 19.1 m-20 -75.76 -22.9 56.03 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.97 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.16 -51.98 57.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.914 0.388 . . . . 0.0 110.615 179.626 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 132' ' ' ILE . . . . . . . . . . . . . 2.1 mt -73.06 -35.97 49.54 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.781 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 133' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 . . . . . 0 C--N 1.325 -0.49 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.128 -179.542 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.41 -40.34 96.21 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-O 121.206 0.526 . . . . 0.0 109.686 179.123 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -76.9 -29.74 55.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.091 178.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.47 -30.33 53.12 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.473 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.1 p -74.24 -44.34 53.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.517 179.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -67.95 -36.42 80.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.237 179.476 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.2 tpp180 -74.32 -25.31 59.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 109.932 179.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.483 ' O ' HD21 ' B' ' 113' ' ' LEU . . . -78.15 -54.44 6.25 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.73 178.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.52 ' CD2' ' HB3' ' A' ' 44' ' ' PHE . 0.4 OUTLIER -62.49 -26.05 68.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.635 179.262 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 28.9 t60 -73.08 -45.33 57.85 Favored 'General case' 0 CA--C 1.517 -0.293 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 178.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.451 ' CD2' ' CE1' ' A' ' 21' ' ' TYR . 2.7 mt -62.88 -36.11 82.22 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.116 178.504 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.433 ' HB3' ' CG2' ' A' ' 37' ' ' ILE . 50.9 mt -60.61 -43.97 96.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.048 -0.978 . . . . 0.0 110.393 179.334 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -60.39 -45.55 93.14 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.576 179.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -71.25 -31.65 67.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.927 179.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.565 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 5.8 m-30 -67.36 -46.74 72.47 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.461 179.652 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 28.8 ptt85 -62.79 -38.37 90.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.723 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 98.2 p -63.29 -38.69 92.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.922 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt -92.04 -18.32 23.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.553 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.565 ' HB2' ' O ' ' A' ' 21' ' ' TYR . 0.3 OUTLIER -77.94 -71.12 0.44 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.693 -179.774 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.469 ' HB2' ' HB2' ' A' ' 34' ' ' ARG . 14.6 t -62.87 -146.89 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.601 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 47.67 27.75 1.11 Allowed 'General case' 0 N--CA 1.452 -0.325 0 CA-C-O 121.037 0.446 . . . . 0.0 110.291 -179.471 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.443 ' CG2' ' N ' ' A' ' 29' ' ' GLU . 3.1 t -152.65 -49.21 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.573 -179.654 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.443 ' N ' ' CG2' ' A' ' 28' ' ' THR . 10.6 pt-20 -177.45 26.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.53 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.44 ' HB3' ' HB3' ' A' ' 33' ' ' LEU . 0.7 OUTLIER -144.01 60.19 1.36 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.059 0.457 . . . . 0.0 111.192 -179.657 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.8 mmm180 -68.08 -53.24 26.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.369 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.28 -49.7 76.82 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.777 179.092 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.464 HD23 ' HB3' ' B' ' 95' ' ' SER . 8.7 tp -51.58 -36.24 44.64 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.007 178.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.469 ' HB2' ' HB2' ' A' ' 26' ' ' SER . 18.8 ttp180 -60.61 -46.43 90.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.455 178.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 10.3 p -54.72 -35.3 63.53 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.386 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.494 ' O ' ' HG2' ' A' ' 39' ' ' ARG . 0.6 OUTLIER -66.47 -50.13 64.33 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.124 0.487 . . . . 0.0 110.319 179.385 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.658 ' O ' HG12 ' A' ' 41' ' ' ILE . 28.2 mt -60.5 -37.69 75.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.727 178.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -64.54 -51.21 64.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 114.995 -1.002 . . . . 0.0 111.925 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.494 ' HG2' ' O ' ' A' ' 36' ' ' SER . 5.0 ptp85 -55.18 -38.3 68.17 Favored 'General case' 0 CA--C 1.52 -0.203 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.011 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.447 ' CG1' ' CD1' ' A' ' 44' ' ' PHE . 92.3 t -63.43 -40.99 91.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 178.17 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.658 HG12 ' O ' ' A' ' 37' ' ' ILE . 13.4 mm -55.38 -58.35 4.78 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.157 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.769 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.7 t -58.38 -47.7 83.0 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-O 120.964 0.412 . . . . 0.0 110.649 -179.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.433 ' CG2' ' CE2' ' B' ' 129' ' ' TYR . 16.0 mt -59.89 -34.25 55.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.219 179.289 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.52 ' HB3' ' CD2' ' A' ' 15' ' ' LEU . 1.1 m-85 -72.79 -56.47 5.19 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.681 -0.69 . . . . 0.0 112.21 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -80.17 -0.57 36.62 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -178.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.425 ' CB ' ' CE1' ' B' ' 129' ' ' TYR . 14.1 p -53.68 140.1 30.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.926 0.394 . . . . 0.0 110.799 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -56.71 -32.02 65.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.686 -179.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.0 tp -79.29 -46.82 16.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.685 -0.234 . . . . 0.0 111.509 -179.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.41 ' HA ' ' HB2' ' B' ' 129' ' ' TYR . 81.2 t80 -51.51 -50.67 59.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.781 0.324 . . . . 0.0 111.384 -179.36 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 21.7 mm-40 -56.99 -43.08 81.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.054 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.25 -40.76 82.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.944 0.402 . . . . 0.0 110.207 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.435 ' CD1' ' N ' ' B' ' 129' ' ' TYR . 2.7 mt -61.6 -43.57 98.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.698 178.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.413 ' O ' ' CG ' ' A' ' 56' ' ' GLN . 55.5 mt -55.97 -34.01 36.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.191 178.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.83 -34.18 69.1 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.443 179.292 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 69.6 mt -66.26 -46.78 86.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.467 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.413 ' CG ' ' O ' ' A' ' 53' ' ' ILE . 1.9 pt20 -53.09 -21.26 4.54 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.816 -179.322 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.403 ' O ' ' CG ' ' A' ' 58' ' ' PHE . 8.5 tt0 -47.19 -32.66 4.59 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.71 0.29 . . . . 0.0 111.083 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.418 ' HA ' ' HG ' ' C' ' 64' ' ' LEU . 95.5 m-85 -156.71 35.76 0.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.312 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.471 ' CE2' ' CD1' ' C' ' 63' ' ' LEU . 45.8 m-85 -142.34 70.16 1.33 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.381 179.601 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.46 ' HB2' ' HB ' ' C' ' 62' ' ' THR . 67.4 mt-10 -57.23 91.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.95 -179.659 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -72.88 106.11 2.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.127 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.2 m -89.3 122.22 32.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.482 179.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.438 HD13 ' CE2' ' C' ' 59' ' ' TYR . 0.1 OUTLIER -92.92 131.31 38.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.092 -179.897 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.47 ' CD2' ' N ' ' A' ' 64' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.094 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . 0.651 ' CD2' ' N ' ' B' ' 82' ' ' LEU . 0.2 OUTLIER . . . . . 0 CA--C 1.519 -0.246 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . 0.67 ' O ' ' HB3' ' B' ' 87' ' ' ARG . 0.4 OUTLIER -61.42 -44.53 96.97 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.142 -0.936 . . . . 0.0 110.723 -179.795 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . 0.765 ' O ' ' HB3' ' B' ' 88' ' ' ALA . . . -78.7 -19.37 52.58 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.786 -178.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 85' ' ' ALA . . . . . 0.463 ' HB3' ' HB3' ' B' ' 126' ' ' LEU . . . -52.32 -24.02 6.83 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.346 0.593 . . . . 0.0 109.836 179.082 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . 0.412 ' O ' ' CB ' ' B' ' 90' ' ' SER . 10.2 tt0 -127.41 -39.69 1.85 Allowed 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.828 178.69 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 87' ' ' ARG . . . . . 0.67 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 20.2 ttt85 -64.96 -39.96 94.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.619 179.377 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . 0.765 ' HB3' ' O ' ' B' ' 84' ' ' ALA . . . -69.94 -47.63 61.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.782 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 89' ' ' VAL . . . . . 0.472 ' CG1' ' HB3' ' B' ' 117' ' ' PHE . 37.8 t -70.29 -34.08 56.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.407 179.412 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 90' ' ' SER . . . . . 0.434 ' HA ' ' HB2' ' B' ' 93' ' ' LEU . 72.6 m -76.18 -25.01 54.79 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.352 179.19 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 91' ' ' GLN . . . . . 0.446 ' HB3' ' HB3' ' A' ' 36' ' ' SER . 9.5 mt-30 -67.73 -53.16 29.62 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 121.307 0.575 . . . . 0.0 109.462 179.323 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 92' ' ' VAL . . . . . 0.44 ' CG2' ' HA ' ' A' ' 37' ' ' ILE . 4.9 t -69.73 -27.77 34.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.168 -0.924 . . . . 0.0 109.968 179.116 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 93' ' ' LEU . . . . . 0.579 HD23 ' HA ' ' B' ' 114' ' ' HIS . 4.2 mt -68.76 -35.13 76.7 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.354 179.722 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -83.52 -37.64 22.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.919 0.39 . . . . 0.0 110.964 -179.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 95' ' ' SER . . . . . 0.464 ' HB3' HD23 ' A' ' 33' ' ' LEU . 0.5 OUTLIER -79.66 -20.34 46.88 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.712 -179.623 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . 0.53 ' O ' ' HB ' ' B' ' 99' ' ' ILE . 0.1 OUTLIER -36.88 -49.11 0.79 Allowed 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 112.529 0.566 . . . . 0.0 112.529 -179.484 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -69.29 -32.13 71.09 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.226 -179.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' B' ' 95' ' ' SER . 0.0 OUTLIER -68.93 -35.81 77.25 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 177.68 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 99' ' ' ILE . . . . . 0.53 ' HB ' ' O ' ' B' ' 96' ' ' LEU . 8.4 mt -57.9 -48.37 84.09 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.645 0 CA-C-N 114.291 -1.322 . . . . 0.0 109.885 178.239 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 100' ' ' HIS . . . . . 0.563 ' HB2' ' CD1' ' B' ' 110' ' ' LEU . 15.8 t-160 -55.98 -39.91 72.51 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-O 121.971 0.891 . . . . 0.0 108.692 178.359 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -52.45 -41.62 63.46 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 113.884 -1.507 . . . . 0.0 111.819 179.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 102' ' ' LEU . . . . . 0.424 ' CD1' HD23 ' A' ' 25' ' ' LEU . 0.4 OUTLIER -123.53 35.47 4.85 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -177.351 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 103' ' ' THR . . . . . 0.419 HG21 ' O ' ' B' ' 99' ' ' ILE . 39.7 p -150.69 -38.97 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.685 -0.406 . . . . 0.0 111.856 179.6 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 74.89 29.95 0.98 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.987 0.422 . . . . 0.0 110.14 -178.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 105' ' ' SER . . . . . 0.422 ' HB3' ' CZ ' ' A' ' 21' ' ' TYR . 3.1 m -64.59 -8.5 14.39 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.75 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 75.57 118.96 0.05 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.846 0.355 . . . . 0.0 110.554 -179.685 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . 0.427 ' HA ' HD13 ' B' ' 110' ' ' LEU . 0.4 OUTLIER -50.64 -27.02 6.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.182 -179.78 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.3 -51.71 68.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.131 0.491 . . . . 0.0 110.212 179.472 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -65.49 -39.84 92.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.878 179.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 110' ' ' LEU . . . . . 0.563 ' CD1' ' HB2' ' B' ' 100' ' ' HIS . 52.2 mt -61.31 -36.46 80.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.124 179.188 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 111' ' ' ASP . . . . . 0.427 ' O ' ' ND1' ' B' ' 114' ' ' HIS . 0.7 OUTLIER -66.32 -43.03 87.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.665 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -60.81 -37.2 81.15 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.461 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 113' ' ' LEU . . . . . 0.483 HD21 ' O ' ' A' ' 14' ' ' ALA . 0.5 OUTLIER -78.45 -35.06 47.26 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.862 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 114' ' ' HIS . . . . . 0.579 ' HA ' HD23 ' B' ' 93' ' ' LEU . 0.0 OUTLIER -61.65 -29.03 69.8 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 178.708 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 1.9 m -79.32 -39.09 33.66 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 177.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 116' ' ' VAL . . . . . 0.457 ' O ' ' CD2' ' B' ' 122' ' ' LEU . 25.2 t -61.04 -24.02 31.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.669 178.27 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 117' ' ' PHE . . . . . 0.472 ' HB3' ' CG1' ' B' ' 89' ' ' VAL . 22.4 m-85 -99.86 -31.8 11.32 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.432 -179.482 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 118' ' ' GLN . . . . . 0.472 ' OE1' ' CD2' ' B' ' 114' ' ' HIS . 0.0 OUTLIER -66.65 -27.54 67.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.785 0.326 . . . . 0.0 111.587 -179.378 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.16 126.94 6.53 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.463 -179.683 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 120' ' ' GLN . . . . . 0.437 ' O ' ' CD2' ' B' ' 123' ' ' HIS . 0.0 OUTLIER -68.44 -49.69 58.03 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.713 179.921 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 121' ' ' HIS . . . . . 0.4 ' O ' ' HB ' ' B' ' 124' ' ' THR . 4.2 m-70 -55.14 -33.31 62.81 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.399 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . 0.649 ' O ' HD11 ' B' ' 126' ' ' LEU . 26.6 tp -56.07 -50.56 70.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.718 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 123' ' ' HIS . . . . . 0.559 ' HA ' ' CD1' ' B' ' 126' ' ' LEU . 0.0 OUTLIER -52.43 -25.94 11.35 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.962 0.41 . . . . 0.0 110.169 179.597 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 124' ' ' THR . . . . . 0.422 HG23 HD13 ' A' ' 63' ' ' LEU . 9.2 m -76.79 -34.46 57.98 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.412 178.636 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . 0.46 ' O ' ' HB3' ' B' ' 129' ' ' TYR . 16.6 mt -65.65 -40.16 92.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.338 179.078 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . 0.649 HD11 ' O ' ' B' ' 122' ' ' LEU . 1.4 mp -68.4 -50.82 50.15 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.288 -179.604 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 127' ' ' ASP . . . . . 0.417 ' O ' ' OD1' ' B' ' 130' ' ' ASP . 72.5 m-20 -59.53 -48.74 80.47 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.97 0.414 . . . . 0.0 110.826 179.775 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . 0.425 HD23 ' CE2' ' C' ' 59' ' ' TYR . 96.2 mt -60.96 -40.38 93.12 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.952 0.405 . . . . 0.0 110.454 179.687 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 129' ' ' TYR . . . . . 0.46 ' HB3' ' O ' ' B' ' 125' ' ' LEU . 0.2 OUTLIER -65.73 -50.58 64.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.209 -179.66 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 130' ' ' ASP . . . . . 0.558 ' CG ' HD21 ' B' ' 82' ' ' LEU . 4.2 p30 -75.23 -19.92 59.5 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.326 -179.687 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.11 -46.65 33.11 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.699 0.285 . . . . 0.0 111.077 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 132' ' ' ILE . . . . . 0.409 ' CD1' ' O ' ' B' ' 128' ' ' LEU . 4.2 mt -74.58 -35.71 38.88 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 CA-C-O 120.899 0.38 . . . . 0.0 110.791 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 133' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -65.02 -26.49 68.3 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.313 -179.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 83.3 m -90.38 -27.5 19.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.106 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.67 -62.73 1.66 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.216 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 84.2 p . . . . . 0 C--N 1.324 -0.508 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.206 -179.704 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.123 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 39.0 mttt -66.23 -38.65 88.42 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 121.283 0.563 . . . . 0.0 109.703 178.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -75.45 -31.58 60.36 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.985 179.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -80.36 -29.81 37.93 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.645 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 11' ' ' THR . . . . . 0.421 ' HA ' ' HE2' ' C' ' 44' ' ' PHE . 21.6 p -77.45 -38.59 49.05 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.594 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -72.87 -37.27 67.4 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 179.34 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 -72.8 -28.2 62.43 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.849 178.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 14' ' ' ALA . . . . . 0.497 ' O ' HD23 ' D' ' 113' ' ' LEU . . . -78.49 -55.54 5.14 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 178.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 15' ' ' LEU . . . . . 0.54 ' HB3' ' CD2' ' C' ' 44' ' ' PHE . 0.3 OUTLIER -60.74 -24.47 65.74 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.493 178.931 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' C' C ' 16' ' ' HIS . . . . . 0.424 ' HA ' ' HG2' ' C' ' 19' ' ' GLU . 39.9 t60 -73.27 -47.53 42.24 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 178.56 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . 0.425 HD22 ' CZ ' ' C' ' 21' ' ' TYR . 1.6 mt -63.54 -37.64 88.09 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.518 178.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . 0.449 ' HB3' HG21 ' C' ' 37' ' ' ILE . 20.7 mt -62.91 -49.93 72.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.096 -0.956 . . . . 0.0 111.077 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 19' ' ' GLU . . . . . 0.424 ' HG2' ' HA ' ' C' ' 16' ' ' HIS . 4.6 pt-20 -60.23 -31.77 70.5 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.865 0.364 . . . . 0.0 110.649 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 20' ' ' GLU . . . . . 0.4 ' N ' ' HG3' ' C' ' 19' ' ' GLU . 0.5 OUTLIER -75.66 -35.36 60.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.954 179.368 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' C' C ' 21' ' ' TYR . . . . . 0.522 ' O ' ' HB2' ' C' ' 25' ' ' LEU . 19.1 m-85 -70.05 -47.29 62.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.574 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 22' ' ' ARG . . . . . 0.459 ' HA ' ' HB2' ' C' ' 25' ' ' LEU . 30.7 ptt85 -57.99 -47.33 83.32 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.559 179.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 23' ' ' SER . . . . . 0.427 ' N ' ' HG3' ' C' ' 22' ' ' ARG . 2.4 p -57.36 -40.86 78.97 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.701 179.589 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 24' ' ' LYS . . . . . . . . . . . . . 8.6 ptmt -93.34 4.68 53.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.965 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 25' ' ' LEU . . . . . 0.631 ' O ' HG22 ' C' ' 28' ' ' THR . 0.7 OUTLIER -92.34 -74.26 0.52 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.946 -179.109 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' C' C ' 26' ' ' SER . . . . . 0.646 ' HB2' ' HD2' ' C' ' 31' ' ' ARG . 52.5 p -44.13 -28.26 0.48 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -178.35 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 27' ' ' GLN . . . . . 0.451 ' OE1' ' OG ' ' C' ' 26' ' ' SER . 0.4 OUTLIER -70.9 55.49 0.18 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.833 0.349 . . . . 0.0 111.828 -178.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' C' C ' 28' ' ' THR . . . . . 0.631 HG22 ' O ' ' C' ' 25' ' ' LEU . 8.8 t -178.62 -60.28 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.741 179.427 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 29' ' ' GLU . . . . . 0.506 ' H ' ' CG2' ' C' ' 28' ' ' THR . 16.8 pt-20 -176.89 28.84 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.598 -179.186 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -134.83 44.81 2.6 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.955 0.407 . . . . 0.0 110.852 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . 0.646 ' HD2' ' HB2' ' C' ' 26' ' ' SER . 18.6 mmm180 -62.06 -47.24 85.57 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.389 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -40.31 89.69 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.311 0.577 . . . . 0.0 109.7 178.44 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 33' ' ' LEU . . . . . 0.409 ' HG ' ' CD1' ' C' ' 25' ' ' LEU . 4.1 tp -59.87 -34.57 73.32 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.286 179.043 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 34' ' ' ARG . . . . . 0.594 ' HB2' ' HB3' ' C' ' 26' ' ' SER . 0.4 OUTLIER -61.11 -44.67 97.0 Favored 'General case' 0 CA--C 1.516 -0.346 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 178.721 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.64 -41.66 73.88 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.538 178.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 36' ' ' SER . . . . . 0.452 ' HB3' ' NE2' ' D' ' 91' ' ' GLN . 0.0 OUTLIER -63.45 -51.52 65.32 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.132 0.492 . . . . 0.0 110.164 179.379 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' C' C ' 37' ' ' ILE . . . . . 0.566 ' O ' HG12 ' C' ' 41' ' ' ILE . 9.8 mt -57.88 -39.42 71.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.872 178.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.45 -46.02 73.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.083 -0.962 . . . . 0.0 110.547 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 39' ' ' ARG . . . . . 0.482 ' CB ' ' HB2' ' D' ' 88' ' ' ALA . 54.9 mtt180 -56.02 -49.68 73.02 Favored 'General case' 0 CA--C 1.514 -0.419 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 178.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . 0.607 ' O ' ' HB2' ' C' ' 44' ' ' PHE . 46.7 t -60.46 -32.82 52.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.693 179.664 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 41' ' ' ILE . . . . . 0.566 HG12 ' O ' ' C' ' 37' ' ' ILE . 5.1 mm -70.25 -53.14 24.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 C-N-CA 121.016 -0.273 . . . . 0.0 111.562 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 11.3 t -64.53 -48.31 75.55 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-O 120.778 0.323 . . . . 0.0 111.049 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 43' ' ' ILE . . . . . 0.425 ' O ' ' CG ' ' C' ' 49' ' ' PHE . 8.5 mt -59.3 -34.6 54.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.28 179.623 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 44' ' ' PHE . . . . . 0.607 ' HB2' ' O ' ' C' ' 40' ' ' VAL . 2.2 m-85 -72.71 -56.81 4.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.393 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 45' ' ' GLN . . . . . 0.435 ' NE2' HG21 ' C' ' 41' ' ' ILE . 3.2 pt20 -80.1 -9.18 59.69 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -177.563 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 46' ' ' SER . . . . . 0.455 ' OG ' ' HB2' ' C' ' 49' ' ' PHE . 21.9 p -46.99 144.98 2.25 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.868 0.366 . . . . 0.0 111.079 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.55 -40.04 81.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.912 -179.268 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . 0.458 HD23 ' HB ' ' D' ' 132' ' ' ILE . 2.0 tp -72.62 -48.22 41.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.572 -0.286 . . . . 0.0 111.447 -179.261 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 49' ' ' PHE . . . . . 0.592 ' HA ' HD23 ' C' ' 52' ' ' LEU . 43.0 t80 -51.83 -56.76 12.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.803 0.335 . . . . 0.0 111.285 -179.366 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -57.21 -38.09 73.19 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.111 0.482 . . . . 0.0 110.59 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.83 -46.53 90.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.554 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 52' ' ' LEU . . . . . 0.592 HD23 ' HA ' ' C' ' 49' ' ' PHE . 0.1 OUTLIER -68.09 -32.61 73.05 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 120.606 -0.437 . . . . 0.0 110.513 -179.706 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' C' C ' 53' ' ' ILE . . . . . 0.473 HG22 HD12 ' C' ' 53' ' ' ILE . 49.5 mt -58.86 -39.8 78.42 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 178.232 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -63.06 -40.6 98.18 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.261 178.219 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 55' ' ' ILE . . . . . 0.462 ' HB ' ' O ' ' C' ' 52' ' ' LEU . 96.7 mt -54.54 -47.06 72.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.497 178.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 56' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -50.92 -24.24 3.46 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.789 -0.642 . . . . 0.0 111.59 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 57' ' ' GLU . . . . . 0.414 ' O ' ' CD2' ' C' ' 58' ' ' PHE . 59.4 mt-10 -45.88 -30.1 1.61 Allowed 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.853 0.359 . . . . 0.0 111.013 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 58' ' ' PHE . . . . . 0.414 ' CD2' ' O ' ' C' ' 57' ' ' GLU . 62.9 m-85 -156.9 27.4 0.32 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.086 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 59' ' ' TYR . . . . . 0.438 ' CE2' HD13 ' A' ' 63' ' ' LEU . 17.4 m-85 -134.22 74.84 1.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.644 179.718 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -59.4 102.08 0.13 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.944 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 61' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -81.62 96.71 3.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.93 0.395 . . . . 0.0 110.865 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 62' ' ' THR . . . . . 0.46 ' HB ' ' HB2' ' A' ' 60' ' ' GLU . 2.7 m -81.24 114.07 19.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.214 179.537 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 63' ' ' LEU . . . . . 0.471 ' CD1' ' CE2' ' A' ' 59' ' ' TYR . 0.2 OUTLIER -88.45 132.69 34.37 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.333 -179.587 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' C' C ' 64' ' ' LEU . . . . . 0.533 ' CD2' ' N ' ' C' ' 64' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.721 179.631 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 82' ' ' LEU . . . . . 0.603 ' CD2' ' N ' ' D' ' 82' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.457 -0.112 0 CA-C-O 121.113 0.482 . . . . 0.0 109.941 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 83' ' ' LEU . . . . . 0.774 ' O ' ' HB3' ' D' ' 87' ' ' ARG . 0.2 OUTLIER -55.05 -50.68 68.49 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.156 -179.229 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' D' D ' 84' ' ' ALA . . . . . 0.59 ' H ' ' CD2' ' D' ' 83' ' ' LEU . . . -72.03 -26.48 62.22 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.304 -179.27 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 85' ' ' ALA . . . . . 0.462 ' CB ' ' CB ' ' D' ' 126' ' ' LEU . . . -52.84 -26.35 14.31 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.989 0.423 . . . . 0.0 110.41 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 86' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -123.3 -41.48 2.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.699 178.757 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 87' ' ' ARG . . . . . 0.774 ' HB3' ' O ' ' D' ' 83' ' ' LEU . 13.5 ttt180 -61.68 -52.54 63.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.996 178.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 88' ' ' ALA . . . . . 0.533 ' HB3' ' O ' ' D' ' 84' ' ' ALA . . . -58.63 -40.08 82.32 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.864 179.758 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 89' ' ' VAL . . . . . 0.492 ' CG1' ' HB3' ' D' ' 117' ' ' PHE . 59.7 t -65.61 -56.24 16.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.322 179.228 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.63 -22.88 64.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.897 179.471 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 91' ' ' GLN . . . . . 0.518 ' NE2' ' HA ' ' D' ' 88' ' ' ALA . 11.7 mt-30 -67.43 -57.25 6.91 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-O 121.276 0.56 . . . . 0.0 109.787 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 92' ' ' VAL . . . . . 0.455 HG22 ' HA ' ' C' ' 37' ' ' ILE . 8.2 t -69.49 -28.29 37.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.926 179.042 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 93' ' ' LEU . . . . . 0.513 HD23 ' HA ' ' D' ' 114' ' ' HIS . 3.7 mt -69.72 -26.99 64.6 Favored 'General case' 0 N--CA 1.457 -0.121 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.152 179.453 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.34 -45.46 10.56 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-O 120.881 0.372 . . . . 0.0 111.183 -179.663 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.7 -9.64 59.67 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.801 -179.5 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 96' ' ' LEU . . . . . 0.467 ' O ' ' HB ' ' D' ' 99' ' ' ILE . 0.1 OUTLIER -43.5 -52.12 6.31 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.065 0.459 . . . . 0.0 111.829 -179.575 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -68.19 -27.29 66.27 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.108 -179.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 98' ' ' GLU . . . . . 0.403 ' O ' ' CB ' ' D' ' 101' ' ' ALA . 0.1 OUTLIER -71.6 -35.77 70.61 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 178.143 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' D' D ' 99' ' ' ILE . . . . . 0.474 ' O ' ' OG1' ' D' ' 103' ' ' THR . 86.3 mt -59.55 -49.71 82.66 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.7 0 CA-C-N 114.677 -1.147 . . . . 0.0 109.605 178.329 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 100' ' ' HIS . . . . . 0.505 ' HB2' ' CD1' ' D' ' 110' ' ' LEU . 1.7 t-160 -57.79 -34.76 69.97 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 178.339 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 101' ' ' ALA . . . . . 0.403 ' CB ' ' O ' ' D' ' 98' ' ' GLU . . . -54.71 -43.09 72.27 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.569 -1.196 . . . . 0.0 111.665 179.334 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 102' ' ' LEU . . . . . 0.446 ' CD1' ' CD2' ' C' ' 25' ' ' LEU . 0.3 OUTLIER -118.49 22.18 12.21 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 -177.509 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' D' D ' 103' ' ' THR . . . . . 0.474 ' OG1' ' O ' ' D' ' 99' ' ' ILE . 36.6 p -143.09 -8.19 0.8 Allowed 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 112.509 0.559 . . . . 0.0 112.509 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 2.8 t0 55.3 22.26 4.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.833 0.349 . . . . 0.0 110.97 -179.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 105' ' ' SER . . . . . 0.435 ' HB3' ' CE1' ' C' ' 21' ' ' TYR . 12.1 p -57.51 -23.05 47.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.946 179.601 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 106' ' ' SER . . . . . . . . . . . . . 1.7 p 79.42 127.98 0.05 OUTLIER 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.003 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -54.72 -23.61 18.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.909 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.3 -55.17 38.41 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 121.021 0.439 . . . . 0.0 110.132 179.518 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 109' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -63.19 -38.56 91.66 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.828 179.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 110' ' ' LEU . . . . . 0.505 ' CD1' ' HB2' ' D' ' 100' ' ' HIS . 61.8 mt -64.42 -35.23 80.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.301 179.298 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 111' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -63.19 -48.83 76.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.692 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 112' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -59.03 -41.37 87.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.453 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 113' ' ' LEU . . . . . 0.497 HD23 ' O ' ' C' ' 14' ' ' ALA . 0.4 OUTLIER -71.68 -38.89 70.56 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.174 -179.582 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' D' D ' 114' ' ' HIS . . . . . 0.513 ' HA ' HD23 ' D' ' 93' ' ' LEU . 0.3 OUTLIER -60.6 -35.19 75.51 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 178.877 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' D' D ' 115' ' ' SER . . . . . . . . . . . . . 8.7 t -72.4 -35.51 68.42 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 177.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 116' ' ' VAL . . . . . 0.427 ' HB ' ' HA ' ' D' ' 113' ' ' LEU . 17.6 t -65.06 -23.81 34.12 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 CA-C-N 115.056 -0.974 . . . . 0.0 109.392 177.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 117' ' ' PHE . . . . . 0.492 ' HB3' ' CG1' ' D' ' 89' ' ' VAL . 7.6 m-85 -100.68 -25.92 13.98 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.294 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 118' ' ' GLN . . . . . 0.425 ' NE2' ' CE1' ' D' ' 114' ' ' HIS . 0.0 OUTLIER -73.79 -26.89 60.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.36 -179.481 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -41.46 134.54 2.28 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.938 -179.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 120' ' ' GLN . . . . . . . . . . . . . 4.6 tm0? -71.6 -50.45 30.77 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.665 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 121' ' ' HIS . . . . . . . . . . . . . 23.1 m80 -55.87 -34.26 65.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.447 179.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 122' ' ' LEU . . . . . 0.437 ' CD2' ' HA ' ' D' ' 117' ' ' PHE . 53.6 tp -56.07 -47.78 77.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.098 179.5 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 123' ' ' HIS . . . . . 0.662 ' HA ' ' CD1' ' D' ' 126' ' ' LEU . 91.4 m-70 -53.03 -27.5 19.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.152 0.501 . . . . 0.0 109.952 178.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 124' ' ' THR . . . . . . . . . . . . . 4.6 m -77.77 -30.41 51.42 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.666 179.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 125' ' ' LEU . . . . . 0.586 ' HA ' ' CD1' ' C' ' 52' ' ' LEU . 28.6 mt -69.47 -43.87 72.34 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.334 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 126' ' ' LEU . . . . . 0.662 ' CD1' ' HA ' ' D' ' 123' ' ' HIS . 0.3 OUTLIER -71.41 -39.35 71.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.977 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' D' D ' 127' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -66.85 -41.74 86.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.573 -179.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 128' ' ' LEU . . . . . 0.458 ' CD2' ' CD2' ' A' ' 59' ' ' TYR . 72.3 mt -75.82 -40.25 55.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.921 0.391 . . . . 0.0 110.862 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 129' ' ' TYR . . . . . 0.406 ' CE1' ' CB ' ' C' ' 46' ' ' SER . 2.4 t80 -55.6 -51.31 67.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.905 -179.683 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 130' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -75.57 -29.62 59.39 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 131' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.22 -49.91 75.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.697 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 132' ' ' ILE . . . . . 0.458 ' HB ' HD23 ' C' ' 48' ' ' LEU . 2.5 mt -75.42 -33.25 27.08 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 CA-C-O 121.006 0.432 . . . . 0.0 110.808 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 133' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.26 -179.56 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.7 mtm180 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.411 ' HA ' ' OG1' ' A' ' 11' ' ' THR . 0.1 OUTLIER -64.0 -37.94 89.24 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 179.247 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -72.39 -32.43 66.39 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.604 178.635 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -76.96 -29.91 55.79 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.36 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.411 ' OG1' ' HA ' ' A' ' 8' ' ' LYS . 1.3 p -70.24 -42.83 71.7 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.284 179.696 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.32 -35.2 71.15 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 179.23 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.6 tpt180 -76.04 -25.27 55.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.85 178.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.446 ' O ' HD23 ' B' ' 113' ' ' LEU . . . -78.68 -54.52 6.03 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.563 178.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.481 ' CD2' ' HB3' ' A' ' 44' ' ' PHE . 0.4 OUTLIER -63.92 -26.85 68.78 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.687 179.363 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 19.6 t-160 -73.62 -45.02 55.47 Favored 'General case' 0 CA--C 1.519 -0.215 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.447 ' CD2' ' CE1' ' A' ' 21' ' ' TYR . 2.0 mt -62.61 -37.15 85.14 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.344 178.718 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.445 ' HB3' HG23 ' A' ' 37' ' ' ILE . 47.0 mt -60.24 -48.2 82.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.521 179.657 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.419 ' O ' ' CG ' ' A' ' 22' ' ' ARG . 34.4 mt-10 -57.81 -44.0 86.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.772 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.439 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 14.0 mt-10 -70.16 -34.59 73.21 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.153 0.501 . . . . 0.0 109.695 179.427 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.466 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 12.0 m-30 -66.09 -46.43 77.66 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.906 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.419 ' CG ' ' O ' ' A' ' 19' ' ' GLU . 38.0 ptt85 -60.18 -39.69 87.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.897 0.38 . . . . 0.0 110.217 179.438 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.44 -46.41 80.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.264 179.268 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.439 ' HG3' ' O ' ' A' ' 20' ' ' GLU . 38.3 mtpt -81.05 -23.41 38.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.981 179.425 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.486 HD13 HG12 ' B' ' 99' ' ' ILE . 0.2 OUTLIER -69.6 -74.1 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.872 -179.185 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.436 ' HB3' ' HB2' ' A' ' 34' ' ' ARG . 1.4 p -57.16 -162.73 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.437 -179.145 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.406 ' OE1' ' NH1' ' A' ' 31' ' ' ARG . 1.5 mp0 60.58 30.22 19.58 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.423 -179.742 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.493 ' CG2' ' H ' ' A' ' 29' ' ' GLU . 6.0 t -154.25 -58.57 0.12 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.295 -179.587 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.493 ' H ' ' CG2' ' A' ' 28' ' ' THR . 17.0 pt-20 -174.97 28.25 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.756 -179.28 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.447 ' CB ' HD23 ' A' ' 25' ' ' LEU . 0.7 OUTLIER -146.99 53.48 1.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.018 0.437 . . . . 0.0 110.931 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.406 ' NH1' ' OE1' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -64.78 -49.37 70.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.024 179.588 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.83 -51.34 69.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.117 179.214 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.442 ' CD2' ' HB2' ' B' ' 95' ' ' SER . 35.6 tp -52.6 -35.02 53.42 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.074 179.027 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.436 ' HB2' ' HB3' ' A' ' 26' ' ' SER . 6.6 ttp180 -60.51 -41.86 95.2 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 178.63 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.2 t -60.45 -34.56 74.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.171 179.104 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.48 ' O ' ' HG2' ' A' ' 39' ' ' ARG . 0.8 OUTLIER -66.69 -46.22 76.31 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.233 0.539 . . . . 0.0 110.387 179.509 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.579 ' O ' HG12 ' A' ' 41' ' ' ILE . 52.4 mt -61.15 -39.53 82.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.867 178.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -62.19 -51.52 67.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.122 -0.945 . . . . 0.0 111.914 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.481 ' HG3' ' CB ' ' B' ' 88' ' ' ALA . 4.5 ptp180 -55.33 -38.52 68.84 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.04 -179.742 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.434 ' CG1' ' CD1' ' A' ' 44' ' ' PHE . 88.0 t -63.93 -40.95 90.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 178.405 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.579 HG12 ' O ' ' A' ' 37' ' ' ILE . 8.3 mm -55.36 -56.6 10.79 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.164 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.363 179.506 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.9 t -60.03 -47.55 85.4 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.914 0.388 . . . . 0.0 110.787 -179.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.431 HD13 HG22 ' A' ' 43' ' ' ILE . 22.1 mt -59.86 -34.26 55.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.078 179.333 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.481 ' HB3' ' CD2' ' A' ' 15' ' ' LEU . 1.2 m-85 -72.47 -57.62 4.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.768 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -77.98 -2.26 36.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.788 -179.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.45 ' CB ' ' CE1' ' B' ' 129' ' ' TYR . 0.1 OUTLIER -49.44 141.23 9.35 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.931 0.396 . . . . 0.0 111.046 -179.858 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.98 -36.07 76.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.328 -179.522 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.422 HD22 ' HB2' ' B' ' 133' ' ' ASN . 0.9 OUTLIER -79.44 -45.27 19.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.147 -179.759 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.427 ' CG ' ' O ' ' A' ' 43' ' ' ILE . 51.2 t80 -51.15 -56.17 14.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.264 -179.52 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -56.91 -36.67 70.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.891 0.377 . . . . 0.0 110.519 179.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.18 -44.34 92.19 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.405 179.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.6 mt -60.75 -43.7 97.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.979 179.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 7.1 mt -55.24 -39.57 52.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.621 179.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -63.33 -44.02 96.11 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.235 179.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 64.1 mt -62.03 -35.63 69.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.633 179.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -57.17 -18.09 13.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.685 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.432 ' O ' ' CD1' ' A' ' 58' ' ' PHE . 5.8 mm-40 -43.84 -46.26 7.81 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 120.672 0.272 . . . . 0.0 111.6 -179.679 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.432 ' CD1' ' O ' ' A' ' 57' ' ' GLU . 15.8 m-85 -149.14 30.38 0.78 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.642 -179.695 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.443 ' CE2' ' CD1' ' C' ' 63' ' ' LEU . 9.3 m-85 -129.83 71.17 1.44 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.816 179.654 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -58.51 93.97 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.84 0.352 . . . . 0.0 110.799 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -72.92 98.88 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.102 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.5 m -78.94 121.69 25.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.328 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.435 ' CD1' ' CE2' ' C' ' 59' ' ' TYR . 0.1 OUTLIER -93.67 131.58 38.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.033 0.444 . . . . 0.0 111.213 -179.914 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.452 ' N ' ' CD2' ' A' ' 64' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.918 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . 0.408 ' HB2' ' OD2' ' B' ' 130' ' ' ASP . 8.2 tt . . . . . 0 N--CA 1.448 -0.55 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . 0.628 ' O ' ' HB3' ' B' ' 87' ' ' ARG . 0.5 OUTLIER -73.18 -43.76 60.92 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.457 179.422 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . 0.822 ' O ' ' HB1' ' B' ' 88' ' ' ALA . . . -79.62 -17.78 53.05 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 114.875 -1.057 . . . . 0.0 111.052 -179.723 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 85' ' ' ALA . . . . . 0.54 ' CB ' ' HB3' ' B' ' 126' ' ' LEU . . . -51.75 -24.49 5.94 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 178.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -127.24 -36.89 2.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.973 178.36 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 87' ' ' ARG . . . . . 0.628 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 17.1 ttt-85 -69.86 -34.75 74.02 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.961 179.726 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . 0.822 ' HB1' ' O ' ' B' ' 84' ' ' ALA . . . -73.45 -41.53 63.09 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.792 -179.698 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 89' ' ' VAL . . . . . 0.47 ' CG1' ' HB3' ' B' ' 117' ' ' PHE . 40.8 t -69.88 -34.2 59.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.319 179.242 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 90' ' ' SER . . . . . 0.41 ' HA ' ' HB2' ' B' ' 93' ' ' LEU . 1.2 m -75.16 -27.58 59.75 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.598 179.43 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 91' ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' B' ' 87' ' ' ARG . 23.9 mt-30 -66.92 -55.55 14.15 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-O 121.3 0.571 . . . . 0.0 109.697 179.448 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 92' ' ' VAL . . . . . 0.426 ' CG2' ' HA ' ' A' ' 37' ' ' ILE . 6.8 t -66.54 -27.7 41.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.844 179.095 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 93' ' ' LEU . . . . . 0.623 HD22 ' HA ' ' B' ' 114' ' ' HIS . 2.9 mt -65.86 -35.9 81.95 Favored 'General case' 0 N--CA 1.458 -0.067 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.507 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -81.8 -39.59 23.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.947 0.403 . . . . 0.0 111.067 -179.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 95' ' ' SER . . . . . 0.461 ' O ' ' N ' ' B' ' 98' ' ' GLU . 1.2 p -80.08 -20.18 45.76 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.257 -179.444 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . 0.427 ' O ' ' HB ' ' B' ' 99' ' ' ILE . 0.1 OUTLIER -34.71 -52.84 0.53 Allowed 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 112.643 0.609 . . . . 0.0 112.643 -179.036 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -71.38 -29.55 65.08 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.005 0.431 . . . . 0.0 111.285 -179.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' B' ' 95' ' ' SER . 0.2 OUTLIER -69.95 -33.02 71.56 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 177.76 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 99' ' ' ILE . . . . . 0.486 HG12 HD13 ' A' ' 25' ' ' LEU . 13.8 mt -63.01 -49.55 83.12 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.879 0 CA-C-N 114.556 -1.202 . . . . 0.0 109.963 178.642 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 100' ' ' HIS . . . . . 0.518 ' HB2' ' CD1' ' B' ' 110' ' ' LEU . 1.9 t-160 -56.9 -34.29 67.76 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 177.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -55.44 -44.94 76.81 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.432 -1.258 . . . . 0.0 111.667 179.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 102' ' ' LEU . . . . . 0.427 ' CD1' HD22 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -117.03 21.51 13.18 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -177.661 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 103' ' ' THR . . . . . 0.426 HG22 ' O ' ' B' ' 99' ' ' ILE . 28.4 p -140.32 -5.74 1.23 Allowed 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 179.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 45.9 26.7 0.41 Allowed 'General case' 0 CA--C 1.528 0.133 0 CA-C-O 120.851 0.358 . . . . 0.0 111.061 -179.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 105' ' ' SER . . . . . 0.426 ' HB3' ' CE1' ' A' ' 21' ' ' TYR . 0.0 OUTLIER -50.54 -83.03 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.991 179.906 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 165.36 105.3 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.286 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -47.3 -34.91 7.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.881 0.372 . . . . 0.0 110.836 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 9.8 tptm -63.1 -47.59 82.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.105 0.479 . . . . 0.0 109.836 179.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -65.19 -37.36 87.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.85 178.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 110' ' ' LEU . . . . . 0.518 ' CD1' ' HB2' ' B' ' 100' ' ' HIS . 29.6 mt -59.89 -41.49 91.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.152 179.15 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 111' ' ' ASP . . . . . 0.405 ' O ' ' CD2' ' B' ' 114' ' ' HIS . 0.6 OUTLIER -64.22 -42.1 96.73 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.708 179.851 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -58.42 -37.33 75.15 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.253 179.595 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 113' ' ' LEU . . . . . 0.453 ' HB3' ' CE2' ' B' ' 117' ' ' PHE . 0.5 OUTLIER -76.62 -29.28 56.42 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.739 179.764 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 114' ' ' HIS . . . . . 0.623 ' HA ' HD22 ' B' ' 93' ' ' LEU . 0.0 OUTLIER -62.86 -33.99 76.41 Favored 'General case' 0 CA--C 1.519 -0.249 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 178.526 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 28.5 t -75.98 -38.97 56.87 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 178.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 116' ' ' VAL . . . . . 0.42 ' O ' ' CD2' ' B' ' 122' ' ' LEU . 25.4 t -61.72 -23.55 31.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.799 178.429 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 117' ' ' PHE . . . . . 0.47 ' HB3' ' CG1' ' B' ' 89' ' ' VAL . 21.9 m-85 -100.39 -31.47 11.3 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.442 -179.648 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.34 -29.34 68.86 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 111.93 0.345 . . . . 0.0 111.93 -178.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -43.89 117.75 1.27 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.899 0.381 . . . . 0.0 111.623 -179.306 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -60.78 -44.59 96.6 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.84 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 20.9 m170 -55.45 -33.31 63.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.638 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . 0.42 ' CD2' ' O ' ' B' ' 116' ' ' VAL . 25.7 tp -55.46 -48.65 74.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.762 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 123' ' ' HIS . . . . . 0.498 ' HA ' ' CD1' ' B' ' 126' ' ' LEU . 0.0 OUTLIER -55.34 -25.78 36.91 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 179.206 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 124' ' ' THR . . . . . 0.439 ' N ' ' CD2' ' B' ' 123' ' ' HIS . 1.4 m -74.85 -37.74 62.15 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.475 178.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 2.1 mt -73.1 -31.99 64.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.499 178.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . 0.54 ' HB3' ' CB ' ' B' ' 85' ' ' ALA . 5.7 mt -73.23 -50.44 22.41 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.648 179.705 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -65.43 -42.84 92.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.226 179.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . 0.441 ' CD2' ' CD2' ' C' ' 59' ' ' TYR . 80.5 mt -68.49 -33.03 73.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.209 179.348 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 129' ' ' TYR . . . . . 0.45 ' CE1' ' CB ' ' A' ' 46' ' ' SER . 4.5 t80 -58.64 -52.73 64.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.77 -179.618 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 130' ' ' ASP . . . . . 0.408 ' OD2' ' HB2' ' B' ' 82' ' ' LEU . 0.3 OUTLIER -76.74 -26.58 54.75 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.831 -0.347 . . . . 0.0 111.259 179.589 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 131' ' ' LYS . . . . . 0.406 ' HB2' ' HA ' ' B' ' 128' ' ' LEU . 2.1 mmmp? -54.99 -54.05 47.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.634 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 1.9 mt -75.96 -38.64 36.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 133' ' ' ASN . . . . . 0.422 ' HB2' HD22 ' A' ' 48' ' ' LEU . 27.9 t30 -64.18 -32.03 73.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 67.5 m -84.61 -18.71 34.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.546 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.63 -69.19 0.29 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.945 0.402 . . . . 0.0 110.441 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.713 179.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 7' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 1.6 tttm -61.14 -40.37 93.57 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 121.186 0.517 . . . . 0.0 109.741 179.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -75.45 -29.67 59.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.284 179.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -77.54 -29.91 52.53 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.612 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 1.1 p -73.72 -44.3 56.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.42 179.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -68.28 -39.36 82.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.424 179.581 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 6.0 tpp85 -74.22 -25.12 59.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.156 179.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 14' ' ' ALA . . . . . 0.409 ' O ' HD23 ' D' ' 113' ' ' LEU . . . -78.61 -48.4 15.19 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.155 179.22 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 15' ' ' LEU . . . . . 0.533 ' CD2' ' HB3' ' C' ' 44' ' ' PHE . 0.4 OUTLIER -67.51 -26.38 66.32 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.831 179.78 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' C' C ' 16' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -73.54 -48.14 35.38 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 178.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . 0.419 HD23 ' CE1' ' C' ' 21' ' ' TYR . 1.3 mt -60.97 -37.87 83.95 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.461 -0.791 . . . . 0.0 109.466 178.625 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . 0.456 ' HB3' ' CG2' ' C' ' 37' ' ' ILE . 23.7 mt -60.55 -50.38 73.76 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.845 -1.071 . . . . 0.0 110.822 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 19' ' ' GLU . . . . . 0.424 ' O ' ' CG ' ' C' ' 22' ' ' ARG . 0.8 OUTLIER -57.87 -36.41 72.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.682 179.942 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' C' C ' 20' ' ' GLU . . . . . 0.477 ' O ' ' HG3' ' C' ' 24' ' ' LYS . 3.2 mt-10 -71.86 -36.61 70.17 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.028 179.529 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 21' ' ' TYR . . . . . 0.547 ' O ' ' CB ' ' C' ' 25' ' ' LEU . 7.6 m-30 -64.4 -49.17 72.61 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.461 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 22' ' ' ARG . . . . . 0.424 ' CG ' ' O ' ' C' ' 19' ' ' GLU . 0.4 OUTLIER -55.85 -42.74 76.28 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 120.801 0.334 . . . . 0.0 110.462 179.28 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' C' C ' 23' ' ' SER . . . . . 0.4 ' O ' ' HG3' ' C' ' 27' ' ' GLN . 1.5 m -63.25 -29.43 70.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.415 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 24' ' ' LYS . . . . . 0.477 ' HG3' ' O ' ' C' ' 20' ' ' GLU . 0.0 OUTLIER -119.64 22.81 11.48 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-O 120.82 0.343 . . . . 0.0 111.391 -179.88 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' C' C ' 25' ' ' LEU . . . . . 0.581 ' CD2' ' C ' ' C' ' 25' ' ' LEU . 0.0 OUTLIER -126.63 -62.52 1.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.778 -179.561 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' C' C ' 26' ' ' SER . . . . . 0.467 ' CB ' ' HB2' ' C' ' 34' ' ' ARG . 30.8 m -69.27 -13.64 62.5 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.435 -178.352 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 27' ' ' GLN . . . . . 0.416 ' OE1' ' NH1' ' C' ' 31' ' ' ARG . 2.4 mm-40 -83.07 56.71 3.59 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.853 0.358 . . . . 0.0 110.718 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 28' ' ' THR . . . . . 0.456 ' CG2' ' N ' ' C' ' 29' ' ' GLU . 1.6 t -171.61 -50.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.325 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 29' ' ' GLU . . . . . 0.456 ' N ' ' CG2' ' C' ' 28' ' ' THR . 18.9 pt-20 -172.69 27.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.695 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -139.65 48.93 1.81 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.865 0.364 . . . . 0.0 111.403 -179.736 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . 0.416 ' NH1' ' OE1' ' C' ' 27' ' ' GLN . 1.0 OUTLIER -59.13 -51.74 68.73 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 121.075 0.464 . . . . 0.0 110.356 179.528 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -55.02 -45.31 75.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.252 0.548 . . . . 0.0 109.7 178.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 33' ' ' LEU . . . . . 0.418 ' CD2' HD11 ' C' ' 25' ' ' LEU . 3.5 tp -54.97 -33.66 62.6 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.899 178.781 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 34' ' ' ARG . . . . . 0.467 ' HB2' ' CB ' ' C' ' 26' ' ' SER . 2.0 ttp180 -60.47 -48.78 80.25 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.361 178.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 47.2 t -55.35 -37.12 67.06 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.86 -1.064 . . . . 0.0 110.781 179.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 36' ' ' SER . . . . . 0.441 ' HB3' HE21 ' D' ' 91' ' ' GLN . 66.4 m -67.92 -51.86 42.9 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.977 0.418 . . . . 0.0 110.354 179.564 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 37' ' ' ILE . . . . . 0.66 ' O ' HG12 ' C' ' 41' ' ' ILE . 63.6 mt -58.47 -38.44 70.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.273 0.559 . . . . 0.0 109.526 178.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -59.3 -52.45 65.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 114.98 -1.009 . . . . 0.0 111.97 -179.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 39' ' ' ARG . . . . . 0.603 ' HG3' ' HB3' ' D' ' 88' ' ' ALA . 3.9 ptp180 -57.1 -41.38 78.82 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.316 -0.554 . . . . 0.0 110.001 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . 0.426 HG11 ' CE2' ' C' ' 44' ' ' PHE . 66.4 t -60.98 -31.61 50.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.482 -0.327 . . . . 0.0 110.285 178.419 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 41' ' ' ILE . . . . . 0.66 HG12 ' O ' ' C' ' 37' ' ' ILE . 20.0 mm -68.23 -61.16 1.8 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.883 179.476 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 48.0 t -55.41 -46.5 76.63 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-O 121.114 0.483 . . . . 0.0 110.455 -179.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 43' ' ' ILE . . . . . 0.459 HG21 ' CE2' ' D' ' 129' ' ' TYR . 8.8 mt -59.99 -33.19 52.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.838 178.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 44' ' ' PHE . . . . . 0.533 ' HB3' ' CD2' ' C' ' 15' ' ' LEU . 0.3 OUTLIER -71.99 -59.0 2.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.451 179.753 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' C' C ' 45' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -75.47 -4.18 38.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.863 -179.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 46' ' ' SER . . . . . 0.415 ' OG ' ' CZ ' ' D' ' 129' ' ' TYR . 0.3 OUTLIER -47.98 137.51 10.08 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.924 0.392 . . . . 0.0 111.17 -179.865 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.12 -39.27 81.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.287 -179.724 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . 0.429 ' HG ' ' HA ' ' D' ' 129' ' ' TYR . 2.6 tp -75.38 -45.36 39.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.073 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 49' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -51.17 -53.48 34.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.722 0.296 . . . . 0.0 111.141 -179.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 20.7 mm-40 -57.35 -38.66 74.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.595 179.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.79 -43.1 90.4 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.06 0.457 . . . . 0.0 110.304 179.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 1.9 mt -61.46 -44.22 97.49 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.076 179.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 45.3 mt -54.69 -40.07 49.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.674 179.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -66.44 -38.76 88.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.232 179.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 55' ' ' ILE . . . . . 0.456 ' CG2' ' HB2' ' C' ' 59' ' ' TYR . 69.0 mt -59.14 -46.0 92.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.547 179.409 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 56' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -52.06 -24.48 6.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.468 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 57' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -48.83 -30.4 5.71 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.277 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 58' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -155.95 25.19 0.38 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.56 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 59' ' ' TYR . . . . . 0.456 ' HB2' ' CG2' ' C' ' 55' ' ' ILE . 42.7 m-85 -134.89 72.83 1.46 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.255 179.502 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -60.43 99.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.017 -179.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 61' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -72.68 96.68 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.984 0.421 . . . . 0.0 110.296 179.568 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 62' ' ' THR . . . . . . . . . . . . . 3.5 m -82.36 120.14 25.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.121 -179.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 63' ' ' LEU . . . . . 0.443 ' CD1' ' CE2' ' A' ' 59' ' ' TYR . 0.9 OUTLIER -89.87 124.51 34.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.139 179.333 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' C' C ' 64' ' ' LEU . . . . . 0.436 ' CD2' ' N ' ' C' ' 64' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.256 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 82' ' ' LEU . . . . . 0.579 ' N ' ' CD1' ' D' ' 82' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 83' ' ' LEU . . . . . 0.701 ' O ' ' HB3' ' D' ' 87' ' ' ARG . 0.4 OUTLIER -75.23 -44.92 43.46 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.881 179.876 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' D' D ' 84' ' ' ALA . . . . . 0.686 ' O ' ' HB1' ' D' ' 88' ' ' ALA . . . -82.51 -21.08 35.61 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.996 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 85' ' ' ALA . . . . . 0.448 ' CB ' ' CB ' ' D' ' 126' ' ' LEU . . . -52.02 -26.09 9.98 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-O 121.142 0.496 . . . . 0.0 110.179 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 86' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -124.93 -33.36 2.93 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.094 178.801 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 87' ' ' ARG . . . . . 0.701 ' HB3' ' O ' ' D' ' 83' ' ' LEU . 26.9 ttt180 -69.15 -53.5 19.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.664 178.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 88' ' ' ALA . . . . . 0.686 ' HB1' ' O ' ' D' ' 84' ' ' ALA . . . -57.92 -42.51 84.94 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.783 179.489 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 89' ' ' VAL . . . . . 0.496 ' CG1' ' HB3' ' D' ' 117' ' ' PHE . 44.0 t -72.58 -56.12 10.89 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.515 179.486 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 63.5 m -58.8 -25.01 62.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.319 179.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 91' ' ' GLN . . . . . 0.451 ' HG3' ' O ' ' D' ' 87' ' ' ARG . 8.2 mt-30 -66.77 -58.08 5.78 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.773 179.323 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 92' ' ' VAL . . . . . 0.407 ' CG1' ' CD2' ' C' ' 18' ' ' LEU . 16.9 t -67.76 -27.95 39.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.877 179.277 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 93' ' ' LEU . . . . . 0.571 ' CD2' ' HA ' ' D' ' 114' ' ' HIS . 2.5 mt -66.34 -33.54 75.96 Favored 'General case' 0 N--CA 1.456 -0.164 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.9 179.252 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -88.16 -30.68 19.61 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.059 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 95' ' ' SER . . . . . 0.402 ' CB ' HD13 ' C' ' 33' ' ' LEU . 0.3 OUTLIER -79.79 -25.17 41.0 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.887 -179.516 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' D' D ' 96' ' ' LEU . . . . . 0.572 ' O ' ' HB ' ' D' ' 99' ' ' ILE . 0.2 OUTLIER -41.46 -52.25 3.65 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.011 0.434 . . . . 0.0 111.917 -179.26 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -61.97 -32.54 73.0 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.969 0.414 . . . . 0.0 110.657 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.76 -37.35 73.38 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 177.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 99' ' ' ILE . . . . . 0.572 ' HB ' ' O ' ' D' ' 96' ' ' LEU . 18.8 mt -57.85 -47.93 85.04 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.657 0 CA-C-N 114.464 -1.244 . . . . 0.0 109.685 178.461 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 100' ' ' HIS . . . . . 0.549 ' HB2' ' CD1' ' D' ' 110' ' ' LEU . 9.5 t-160 -55.96 -41.3 74.51 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-O 122.008 0.909 . . . . 0.0 108.721 178.229 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 101' ' ' ALA . . . . . . . . . . . . . . . -51.58 -41.11 60.94 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 113.918 -1.492 . . . . 0.0 111.893 179.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 102' ' ' LEU . . . . . 0.42 HD13 HD22 ' C' ' 25' ' ' LEU . 0.4 OUTLIER -123.69 35.94 4.74 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 113.183 0.809 . . . . 0.0 113.183 -177.437 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' D' D ' 103' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' D' ' 99' ' ' ILE . 43.3 p -152.99 -37.66 0.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.602 -0.439 . . . . 0.0 111.931 179.502 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 5.3 t0 73.44 30.41 1.49 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.088 0.471 . . . . 0.0 109.899 -178.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 105' ' ' SER . . . . . 0.402 ' OG ' ' CE1' ' C' ' 21' ' ' TYR . 2.7 m -61.05 -8.62 3.46 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.829 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 106' ' ' SER . . . . . 0.401 ' CB ' ' O ' ' D' ' 105' ' ' SER . 0.3 OUTLIER 78.36 122.79 0.05 OUTLIER 'General case' 0 C--O 1.232 0.176 0 CA-C-O 120.764 0.316 . . . . 0.0 110.604 -179.625 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' D' D ' 107' ' ' GLU . . . . . 0.424 ' HG3' ' CE1' ' D' ' 100' ' ' HIS . 5.6 mt-10 -55.16 -22.45 17.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.2 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 9.1 mptt -60.98 -55.24 35.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.992 0.425 . . . . 0.0 110.178 179.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 109' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -64.67 -33.36 75.76 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.855 178.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 110' ' ' LEU . . . . . 0.549 ' CD1' ' HB2' ' D' ' 100' ' ' HIS . 95.8 mt -66.19 -41.53 90.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.328 179.378 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 111' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.77 -42.88 99.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.669 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 112' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -62.01 -42.91 99.67 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.759 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 113' ' ' LEU . . . . . 0.42 ' O ' ' CD2' ' D' ' 117' ' ' PHE . 0.5 OUTLIER -73.0 -38.46 66.61 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.792 -179.87 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' D' D ' 114' ' ' HIS . . . . . 0.571 ' HA ' ' CD2' ' D' ' 93' ' ' LEU . 35.6 m80 -56.36 -34.62 66.81 Favored 'General case' 0 CA--C 1.519 -0.229 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 178.295 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 115' ' ' SER . . . . . . . . . . . . . 30.6 t -75.35 -38.09 60.29 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 178.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 116' ' ' VAL . . . . . 0.419 ' O ' ' CD2' ' D' ' 122' ' ' LEU . 42.4 t -57.17 -23.47 18.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.768 178.258 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 117' ' ' PHE . . . . . 0.496 ' HB3' ' CG1' ' D' ' 89' ' ' VAL . 38.1 m-85 -102.88 -38.81 7.23 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.497 -179.717 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 118' ' ' GLN . . . . . 0.415 ' NE2' ' O ' ' D' ' 114' ' ' HIS . 0.0 OUTLIER -56.34 -29.48 61.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.678 -178.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -44.84 127.5 6.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.708 -179.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 120' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -70.41 -50.52 37.66 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.662 179.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 121' ' ' HIS . . . . . . . . . . . . . 37.3 m-70 -55.61 -33.27 63.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.354 179.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 122' ' ' LEU . . . . . 0.662 ' O ' HD12 ' D' ' 126' ' ' LEU . 21.1 tp -55.32 -50.16 70.31 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.991 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 123' ' ' HIS . . . . . 0.594 ' HA ' ' CD1' ' D' ' 126' ' ' LEU . 30.7 m170 -49.95 -29.22 8.0 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 121.129 0.49 . . . . 0.0 110.143 178.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 124' ' ' THR . . . . . . . . . . . . . 2.8 m -72.69 -36.67 67.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.772 179.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 125' ' ' LEU . . . . . 0.485 ' CD1' ' HA ' ' D' ' 122' ' ' LEU . 14.3 mt -63.23 -46.56 86.4 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.089 179.664 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 126' ' ' LEU . . . . . 0.662 HD12 ' O ' ' D' ' 122' ' ' LEU . 1.3 mp -65.48 -41.08 93.69 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.012 -179.773 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 127' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -63.53 -44.95 92.73 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.267 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 128' ' ' LEU . . . . . 0.414 HD22 ' CE2' ' A' ' 59' ' ' TYR . 7.0 mt -72.18 -40.62 67.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.349 -179.564 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 129' ' ' TYR . . . . . 0.459 ' CE2' HG21 ' C' ' 43' ' ' ILE . 0.3 OUTLIER -55.64 -51.52 66.94 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.06 -179.33 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' D' D ' 130' ' ' ASP . . . . . 0.43 ' CB ' HD11 ' D' ' 82' ' ' LEU . 5.1 m-20 -75.83 -26.63 57.36 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.117 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 131' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.47 -51.69 61.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.763 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 132' ' ' ILE . . . . . 0.407 ' HB ' HD22 ' C' ' 48' ' ' LEU . 2.6 mt -71.44 -36.73 61.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 CA-C-O 121.068 0.461 . . . . 0.0 110.584 179.773 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 133' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 . . . . . 0 N--CA 1.451 -0.392 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.977 -179.775 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 5.4 mtm-85 . . . . . 0 N--CA 1.455 -0.223 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.3 tptm -63.34 -38.92 93.03 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 179.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 59.0 mm-40 -74.51 -28.37 60.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.072 179.078 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -79.35 -32.45 43.24 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.552 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -72.29 -38.46 68.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.342 179.525 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.405 ' O ' ' CG ' ' A' ' 16' ' ' HIS . 0.3 OUTLIER -70.77 -45.3 65.01 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.521 179.481 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.426 ' HB3' ' CZ ' ' B' ' 112' ' ' PHE . 0.0 OUTLIER -67.4 -26.12 66.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.006 179.33 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.419 ' CB ' HD22 ' B' ' 113' ' ' LEU . . . -78.75 -54.22 6.31 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.548 178.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.487 ' CD2' ' HB3' ' A' ' 44' ' ' PHE . 0.3 OUTLIER -64.98 -27.43 68.83 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.548 179.463 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.405 ' CG ' ' O ' ' A' ' 12' ' ' GLN . 13.3 m170 -72.58 -46.92 51.95 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 178.627 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.423 HD23 ' CZ ' ' A' ' 21' ' ' TYR . 1.5 mt -61.16 -37.92 84.61 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.295 178.595 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.458 ' HB3' ' CG2' ' A' ' 37' ' ' ILE . 36.5 mt -63.06 -43.19 99.28 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 114.859 -1.064 . . . . 0.0 110.681 179.579 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -60.43 -38.63 84.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.864 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.12 -37.28 61.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.472 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.64 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 17.3 m-85 -67.32 -47.68 69.81 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.404 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.463 ' HG3' ' N ' ' A' ' 23' ' ' SER . 1.5 ptm180 -58.12 -45.09 87.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.307 179.333 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.463 ' N ' ' HG3' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -56.74 -37.28 70.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.467 179.452 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.467 ' HE3' ' HB2' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -104.04 11.47 35.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.568 179.875 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.64 ' HB2' ' O ' ' A' ' 21' ' ' TYR . 0.1 OUTLIER -97.48 -51.15 4.25 Favored 'General case' 0 C--N 1.333 -0.124 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -179.447 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.667 ' HB2' ' HA ' ' A' ' 31' ' ' ARG . 52.9 p -68.42 -31.13 70.24 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -178.231 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.412 ' OE1' ' OG ' ' A' ' 26' ' ' SER . 0.7 OUTLIER -68.52 57.04 0.08 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.882 0.372 . . . . 0.0 111.422 -178.754 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.523 ' CG2' ' H ' ' A' ' 29' ' ' GLU . 8.6 t -176.57 -61.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.668 179.536 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.523 ' H ' ' CG2' ' A' ' 28' ' ' THR . 16.4 pt-20 -176.56 28.64 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.814 -179.338 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -137.8 46.08 2.11 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.011 0.434 . . . . 0.0 110.58 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.667 ' HA ' ' HB2' ' A' ' 26' ' ' SER . 0.0 OUTLIER -63.05 -55.24 27.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.181 -179.52 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 44.7 tp60 -53.05 -44.73 67.67 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.407 0.622 . . . . 0.0 109.562 178.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.416 HD12 ' CB ' ' B' ' 95' ' ' SER . 7.7 tp -57.1 -34.66 68.55 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.122 178.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.658 ' HB2' ' HB3' ' A' ' 26' ' ' SER . 2.0 ttt180 -60.36 -43.5 96.45 Favored 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 178.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 28.9 m -55.61 -40.59 72.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.285 -0.871 . . . . 0.0 109.737 178.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.425 ' O ' ' CG ' ' A' ' 39' ' ' ARG . 0.7 OUTLIER -64.09 -51.3 64.67 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.378 179.144 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.593 ' O ' HG12 ' A' ' 41' ' ' ILE . 34.6 mt -58.32 -37.65 64.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.187 0.517 . . . . 0.0 109.657 178.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.75 -52.63 63.46 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.546 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.488 ' HG3' ' HB1' ' B' ' 88' ' ' ALA . 4.2 ptp85 -55.63 -34.59 65.06 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.627 -0.429 . . . . 0.0 109.867 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.456 ' O ' ' HB2' ' A' ' 44' ' ' PHE . 59.0 t -67.21 -33.12 60.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 109.603 -0.518 . . . . 0.0 109.603 178.091 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.593 HG12 ' O ' ' A' ' 37' ' ' ILE . 14.7 mm -65.82 -61.04 1.88 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.15 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.403 179.436 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.9 t -56.48 -47.04 80.07 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-O 120.964 0.411 . . . . 0.0 110.624 -179.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.429 ' O ' ' CG ' ' A' ' 49' ' ' PHE . 15.5 mt -60.0 -33.47 53.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.89 179.137 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.487 ' HB3' ' CD2' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -72.11 -59.23 2.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.567 179.622 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -77.32 -3.0 37.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.867 -179.031 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.467 ' CB ' ' CE1' ' B' ' 129' ' ' TYR . 0.6 OUTLIER -47.33 137.74 8.06 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.813 0.34 . . . . 0.0 111.364 -179.755 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -58.66 -34.74 71.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.941 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.9 tp -79.02 -45.83 19.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.834 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.429 ' CG ' ' O ' ' A' ' 43' ' ' ILE . 19.5 t80 -51.44 -50.79 59.05 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.828 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -60.25 -34.45 73.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.069 179.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.99 -45.68 90.02 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.3 179.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.82 -44.06 97.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.269 179.305 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 42.5 mt -54.38 -38.86 41.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.621 179.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -69.81 -35.62 74.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.472 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.441 HG21 ' CD1' ' A' ' 59' ' ' TYR . 60.5 mt -59.24 -38.81 76.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.687 179.617 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -53.26 -23.49 9.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.679 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.408 ' O ' ' CD1' ' A' ' 58' ' ' PHE . 14.8 mm-40 -48.87 -33.33 10.45 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.629 -0.259 . . . . 0.0 111.537 -179.49 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.408 ' CD1' ' O ' ' A' ' 57' ' ' GLU . 11.6 m-85 -154.88 29.86 0.41 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.791 0.329 . . . . 0.0 111.793 -179.737 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.441 ' CD1' HG21 ' A' ' 55' ' ' ILE . 66.5 m-85 -137.5 121.72 18.04 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.433 179.392 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -104.4 94.48 5.36 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.899 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -72.75 97.99 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.972 0.415 . . . . 0.0 110.879 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.0 m -86.37 113.15 22.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.785 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.416 HD11 ' CE2' ' C' ' 59' ' ' TYR . 0.2 OUTLIER -87.55 125.0 34.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.665 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.439 ' N ' ' CD2' ' A' ' 64' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.239 -179.724 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . 0.571 ' CD2' ' N ' ' B' ' 82' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . 0.732 ' O ' ' HB3' ' B' ' 87' ' ' ARG . 0.2 OUTLIER -63.03 -51.92 64.88 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.561 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . 0.731 ' O ' ' HB2' ' B' ' 88' ' ' ALA . . . -77.73 -20.92 52.68 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.538 -0.756 . . . . 0.0 111.497 -179.337 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 85' ' ' ALA . . . . . 0.433 ' CB ' ' CB ' ' B' ' 126' ' ' LEU . . . -52.07 -24.34 6.67 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.283 0.563 . . . . 0.0 109.865 179.255 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -127.11 -38.18 2.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.867 178.514 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 87' ' ' ARG . . . . . 0.732 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 29.8 ttt85 -66.9 -37.76 84.99 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.633 179.394 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . 0.731 ' HB2' ' O ' ' B' ' 84' ' ' ALA . . . -72.2 -46.11 57.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.716 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 89' ' ' VAL . . . . . 0.498 ' CG1' ' HB3' ' B' ' 117' ' ' PHE . 26.2 t -69.75 -37.66 74.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.241 179.132 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 90' ' ' SER . . . . . 0.404 ' HA ' ' HB2' ' B' ' 93' ' ' LEU . 73.3 m -73.5 -23.75 60.09 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.421 179.182 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 91' ' ' GLN . . . . . 0.418 ' NE2' ' HG2' ' B' ' 87' ' ' ARG . 5.3 mt-30 -68.71 -54.72 14.45 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-O 121.208 0.528 . . . . 0.0 109.637 179.302 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 92' ' ' VAL . . . . . 0.451 ' CG2' ' HA ' ' A' ' 37' ' ' ILE . 4.7 t -68.65 -28.03 38.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.318 -0.856 . . . . 0.0 109.977 179.141 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 93' ' ' LEU . . . . . 0.636 HD23 ' HA ' ' B' ' 114' ' ' HIS . 2.9 mt -66.34 -35.79 81.26 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.893 179.504 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -85.87 -33.03 21.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.881 0.372 . . . . 0.0 111.079 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 95' ' ' SER . . . . . 0.416 ' CB ' HD12 ' A' ' 33' ' ' LEU . 3.2 m -80.04 -21.6 43.31 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.045 -0.525 . . . . 0.0 112.015 -179.582 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . 0.484 HD22 ' CD2' ' B' ' 110' ' ' LEU . 0.2 OUTLIER -41.29 -48.42 3.6 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.028 0.442 . . . . 0.0 111.99 -179.462 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -64.49 -33.55 76.15 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.981 -179.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.0 -40.14 75.46 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 178.386 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 99' ' ' ILE . . . . . 0.479 ' HB ' ' O ' ' B' ' 96' ' ' LEU . 40.3 mt -54.78 -49.55 68.14 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.701 0 CA-C-N 114.772 -1.104 . . . . 0.0 109.939 178.367 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 100' ' ' HIS . . . . . 0.557 ' HB2' ' CD1' ' B' ' 110' ' ' LEU . 12.2 t-160 -54.86 -40.95 70.21 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-O 121.982 0.896 . . . . 0.0 108.736 178.426 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -53.49 -39.32 64.46 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 113.81 -1.541 . . . . 0.0 112.105 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 102' ' ' LEU . . . . . 0.44 ' CD1' ' CD2' ' A' ' 25' ' ' LEU . 0.4 OUTLIER -126.0 27.6 6.29 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -177.14 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 103' ' ' THR . . . . . 0.451 ' OG1' ' O ' ' B' ' 99' ' ' ILE . 43.0 p -143.71 -26.59 0.55 Allowed 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 179.524 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 20.5 t0 66.71 25.93 9.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.071 0.462 . . . . 0.0 110.252 -179.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 105' ' ' SER . . . . . 0.449 ' HB3' ' CE1' ' A' ' 21' ' ' TYR . 53.0 p -56.12 -22.06 26.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.386 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 106' ' ' SER . . . . . 0.442 ' CB ' ' O ' ' B' ' 105' ' ' SER . 2.2 t 84.05 130.31 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.428 -179.343 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . 0.401 ' HA ' HD11 ' B' ' 110' ' ' LEU . 3.3 tt0 -58.81 -19.19 38.94 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.43 -179.492 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -65.8 -55.51 16.78 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.965 0.412 . . . . 0.0 110.22 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -62.93 -35.99 81.92 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.371 -0.604 . . . . 0.0 109.371 178.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 110' ' ' LEU . . . . . 0.557 ' CD1' ' HB2' ' B' ' 100' ' ' HIS . 93.6 mt -62.29 -50.45 71.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.029 179.191 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -53.8 -40.83 66.66 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.843 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 112' ' ' PHE . . . . . 0.426 ' CZ ' ' HB3' ' A' ' 13' ' ' ARG . 1.7 t80 -64.59 -37.43 87.55 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.844 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 113' ' ' LEU . . . . . 0.419 HD22 ' CB ' ' A' ' 14' ' ' ALA . 0.5 OUTLIER -79.07 -33.05 44.95 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.744 -0.382 . . . . 0.0 111.222 -179.78 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 114' ' ' HIS . . . . . 0.636 ' HA ' HD23 ' B' ' 93' ' ' LEU . 99.3 m-70 -62.42 -34.19 76.28 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 177.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 115' ' ' SER . . . . . 0.412 ' HA ' ' HB2' ' B' ' 118' ' ' GLN . 0.7 OUTLIER -74.6 -40.3 61.66 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.134 178.646 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 116' ' ' VAL . . . . . 0.423 HG11 ' CE1' ' B' ' 117' ' ' PHE . 50.9 t -60.37 -23.33 27.68 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.907 178.424 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 117' ' ' PHE . . . . . 0.498 ' HB3' ' CG1' ' B' ' 89' ' ' VAL . 7.5 m-30 -105.59 -20.87 13.33 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.534 -179.687 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 118' ' ' GLN . . . . . 0.412 ' HB2' ' HA ' ' B' ' 115' ' ' SER . 0.0 OUTLIER -72.97 -30.69 64.02 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.742 0.306 . . . . 0.0 111.276 -179.655 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -42.93 130.16 4.33 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.794 -179.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -71.15 -48.69 50.43 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.671 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -55.87 -33.85 64.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.37 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . 0.417 ' O ' HD13 ' B' ' 126' ' ' LEU . 39.9 tp -55.67 -49.25 73.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 109.916 179.566 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 123' ' ' HIS . . . . . 0.67 ' HA ' ' CD1' ' B' ' 126' ' ' LEU . 23.4 m170 -52.11 -27.41 14.04 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.184 179.04 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 7.2 m -77.02 -32.67 57.25 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.019 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . 0.415 ' CD1' ' HA ' ' B' ' 122' ' ' LEU . 20.5 mt -65.86 -41.34 91.78 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.991 179.724 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . 0.67 ' CD1' ' HA ' ' B' ' 123' ' ' HIS . 0.4 OUTLIER -73.05 -45.14 59.18 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.265 -179.705 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.03 -46.55 82.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.932 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . 0.426 HD21 ' CD2' ' C' ' 59' ' ' TYR . 21.9 mt -70.83 -43.61 68.19 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.152 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 129' ' ' TYR . . . . . 0.467 ' CE1' ' CB ' ' A' ' 46' ' ' SER . 0.2 OUTLIER -55.72 -51.63 66.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.125 -179.518 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 130' ' ' ASP . . . . . 0.402 ' CB ' HD22 ' B' ' 82' ' ' LEU . 25.2 m-20 -76.11 -21.77 56.28 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.268 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 8.0 mmtt -70.51 -46.07 64.4 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.803 0.335 . . . . 0.0 110.859 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 2.7 mt -74.97 -37.94 42.25 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 CA-C-O 120.99 0.424 . . . . 0.0 110.94 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 133' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -63.77 -28.68 70.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.052 -179.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 62.4 m -86.06 5.57 32.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.593 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.4 -40.89 4.77 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.967 0.413 . . . . 0.0 110.923 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.904 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 110.364 -0.236 . . . . 0.0 110.364 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 4.3 mmpt? -65.66 -32.6 74.26 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 121.047 0.451 . . . . 0.0 109.934 179.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 51.8 mm-40 -78.22 -30.81 49.03 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.746 178.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -81.29 -29.9 34.15 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.612 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 5.9 p -76.82 -37.23 56.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.248 179.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 12' ' ' GLN . . . . . 0.424 ' O ' ' CG ' ' C' ' 16' ' ' HIS . 0.8 OUTLIER -73.09 -41.92 63.56 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.189 179.399 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 16.0 ttt180 -72.21 -24.95 61.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.937 178.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 14' ' ' ALA . . . . . 0.445 ' O ' HD21 ' D' ' 113' ' ' LEU . . . -78.65 -53.73 6.85 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.7 178.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 15' ' ' LEU . . . . . 0.499 ' CD2' ' HB3' ' C' ' 44' ' ' PHE . 0.4 OUTLIER -66.72 -24.64 66.26 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.654 179.551 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 16' ' ' HIS . . . . . 0.424 ' CG ' ' O ' ' C' ' 12' ' ' GLN . 15.2 m170 -73.33 -46.87 46.84 Favored 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 178.48 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . 0.446 ' CD2' ' CE1' ' C' ' 21' ' ' TYR . 1.4 mt -62.14 -37.58 85.69 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.176 178.45 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . 0.45 ' HB2' ' CD1' ' C' ' 41' ' ' ILE . 43.0 mt -61.38 -40.65 95.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.831 -1.077 . . . . 0.0 110.567 179.537 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -62.3 -47.74 82.96 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.635 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -70.67 -31.17 67.98 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.878 179.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 21' ' ' TYR . . . . . 0.591 ' O ' ' HB2' ' C' ' 25' ' ' LEU . 5.8 m-30 -67.76 -46.74 71.2 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.5 179.595 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 22' ' ' ARG . . . . . 0.414 ' HG3' ' N ' ' C' ' 23' ' ' SER . 0.2 OUTLIER -62.21 -38.97 91.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.877 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 23' ' ' SER . . . . . 0.414 ' N ' ' HG3' ' C' ' 22' ' ' ARG . 0.3 OUTLIER -63.82 -38.55 91.53 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.781 179.932 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 24' ' ' LYS . . . . . . . . . . . . . 6.2 ptmt -90.39 -18.79 24.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.445 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 25' ' ' LEU . . . . . 0.591 ' HB2' ' O ' ' C' ' 21' ' ' TYR . 0.2 OUTLIER -73.0 -65.26 0.82 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.087 0.47 . . . . 0.0 110.834 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 26' ' ' SER . . . . . 0.484 ' HB3' ' HB2' ' C' ' 34' ' ' ARG . 4.0 p -60.85 -149.44 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.055 -179.665 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 27' ' ' GLN . . . . . 0.413 ' OE1' ' NH1' ' C' ' 31' ' ' ARG . 0.0 OUTLIER 47.7 27.86 1.15 Allowed 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.552 -0.294 . . . . 0.0 111.152 179.846 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 28' ' ' THR . . . . . 0.466 ' CG2' ' N ' ' C' ' 29' ' ' GLU . 6.4 t -150.8 -55.86 0.16 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.656 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 29' ' ' GLU . . . . . 0.466 ' N ' ' CG2' ' C' ' 28' ' ' THR . 13.2 pt-20 -177.59 26.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.648 -179.61 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 30' ' ' ASP . . . . . 0.42 ' CB ' HD22 ' C' ' 25' ' ' LEU . 2.0 m-20 -145.78 54.24 1.17 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.13 0.49 . . . . 0.0 110.854 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . 0.413 ' NH1' ' OE1' ' C' ' 27' ' ' GLN . 11.7 mmm180 -64.56 -46.47 82.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.135 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -58.34 -49.06 78.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.948 179.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 33' ' ' LEU . . . . . 0.406 ' CG ' HD13 ' C' ' 25' ' ' LEU . 13.4 tp -54.01 -35.87 62.37 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.138 179.102 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 34' ' ' ARG . . . . . 0.484 ' HB2' ' HB3' ' C' ' 26' ' ' SER . 5.0 ttp180 -60.5 -42.29 96.05 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.284 178.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 29.7 t -60.83 -33.48 73.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.238 179.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 36' ' ' SER . . . . . 0.464 ' CB ' ' NE2' ' D' ' 91' ' ' GLN . 67.5 m -68.27 -51.51 44.19 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 121.197 0.523 . . . . 0.0 110.329 179.439 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 37' ' ' ILE . . . . . 0.584 ' O ' HG12 ' C' ' 41' ' ' ILE . 36.5 mt -58.81 -40.16 79.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.826 -0.624 . . . . 0.0 109.713 179.003 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.03 -52.06 65.48 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.982 -1.008 . . . . 0.0 112.031 -179.7 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 39' ' ' ARG . . . . . 0.55 ' HG3' ' HB2' ' D' ' 88' ' ' ALA . 6.5 ptp180 -57.25 -33.76 67.92 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.483 -0.487 . . . . 0.0 110.263 -179.627 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . 0.415 ' O ' ' HB2' ' C' ' 44' ' ' PHE . 64.6 t -67.24 -34.95 72.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 178.282 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 41' ' ' ILE . . . . . 0.584 HG12 ' O ' ' C' ' 37' ' ' ILE . 20.1 mm -61.37 -58.9 5.46 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.108 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.289 179.474 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 11.5 t -56.17 -47.89 77.42 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-O 120.978 0.418 . . . . 0.0 110.684 -179.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 43' ' ' ILE . . . . . 0.408 HD13 HG23 ' C' ' 43' ' ' ILE . 21.4 mt -59.7 -32.65 49.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.84 178.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 44' ' ' PHE . . . . . 0.499 ' HB3' ' CD2' ' C' ' 15' ' ' LEU . 0.4 OUTLIER -72.46 -59.52 2.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.947 179.813 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 45' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -79.45 0.2 30.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.995 -178.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 46' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.06 168.66 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.823 0.345 . . . . 0.0 111.21 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -79.56 -47.92 14.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.177 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' D' ' 129' ' ' TYR . 0.4 OUTLIER -66.91 -42.66 85.04 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.536 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 49' ' ' PHE . . . . . 0.413 ' CE2' HD13 ' C' ' 53' ' ' ILE . 8.9 t80 -50.81 -56.16 13.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.352 -179.442 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -54.19 -39.8 66.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.826 0.346 . . . . 0.0 110.718 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.45 -47.33 85.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.886 179.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 52' ' ' LEU . . . . . 0.425 ' CD1' ' N ' ' D' ' 129' ' ' TYR . 0.6 OUTLIER -62.6 -47.91 81.73 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.556 179.699 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 53' ' ' ILE . . . . . 0.413 HD13 ' CE2' ' C' ' 49' ' ' PHE . 18.8 mt -54.51 -31.27 22.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.448 179.605 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.86 -41.23 68.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.217 179.299 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 55' ' ' ILE . . . . . 0.421 HG21 ' CD1' ' C' ' 59' ' ' TYR . 63.7 mt -61.39 -35.2 64.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.629 179.479 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.62 -21.61 4.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.533 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 57' ' ' GLU . . . . . 0.407 ' O ' ' CD2' ' C' ' 58' ' ' PHE . 12.7 pt-20 -43.89 -41.16 5.01 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-O 120.799 0.333 . . . . 0.0 111.531 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 58' ' ' PHE . . . . . 0.407 ' CD2' ' O ' ' C' ' 57' ' ' GLU . 89.2 m-85 -157.51 39.2 0.29 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.429 -179.76 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 59' ' ' TYR . . . . . 0.426 ' CD2' HD21 ' B' ' 128' ' ' LEU . 55.2 m-85 -136.84 81.91 1.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.572 179.533 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.54 90.28 0.54 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.202 -179.677 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 61' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -73.0 102.56 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.979 0.419 . . . . 0.0 110.596 179.458 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 62' ' ' THR . . . . . . . . . . . . . 1.2 m -90.8 115.01 27.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.167 -179.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 63' ' ' LEU . . . . . 0.427 HD13 ' CZ ' ' A' ' 59' ' ' TYR . 0.5 OUTLIER -83.16 139.79 32.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.144 179.121 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 64' ' ' LEU . . . . . 0.499 ' CD2' ' N ' ' C' ' 64' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.259 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 -179.285 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 82' ' ' LEU . . . . . 0.54 HD12 ' HB3' ' D' ' 130' ' ' ASP . 4.9 mp . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.787 0.327 . . . . 0.0 110.704 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 83' ' ' LEU . . . . . 0.763 ' O ' ' HB3' ' D' ' 87' ' ' ARG . 0.3 OUTLIER -76.0 -41.5 51.0 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.271 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' D' D ' 84' ' ' ALA . . . . . 0.69 ' O ' ' HB3' ' D' ' 88' ' ' ALA . . . -96.5 -16.34 21.18 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.743 -178.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 85' ' ' ALA . . . . . 0.492 ' CB ' ' HB3' ' D' ' 126' ' ' LEU . . . -51.08 -28.14 9.81 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.104 0.478 . . . . 0.0 110.104 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 86' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -121.62 -40.35 2.56 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.573 178.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 87' ' ' ARG . . . . . 0.763 ' HB3' ' O ' ' D' ' 83' ' ' LEU . 32.1 ttt180 -59.55 -54.36 47.43 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.129 178.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 88' ' ' ALA . . . . . 0.69 ' HB3' ' O ' ' D' ' 84' ' ' ALA . . . -56.92 -44.49 82.48 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.749 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 89' ' ' VAL . . . . . 0.464 ' CG1' ' HB3' ' D' ' 117' ' ' PHE . 41.4 t -68.79 -33.26 58.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.796 178.654 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 90' ' ' SER . . . . . 0.423 ' HA ' ' HB2' ' D' ' 93' ' ' LEU . 19.2 t -76.19 -26.17 55.91 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.644 179.343 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 91' ' ' GLN . . . . . 0.537 ' HG3' ' O ' ' D' ' 87' ' ' ARG . 20.6 mt-30 -66.37 -56.99 8.43 Favored 'General case' 0 CA--C 1.515 -0.383 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.241 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 92' ' ' VAL . . . . . 0.502 HG22 ' HA ' ' C' ' 37' ' ' ILE . 4.5 t -65.18 -28.05 43.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.044 179.106 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 93' ' ' LEU . . . . . 0.606 HD23 ' HA ' ' D' ' 114' ' ' HIS . 4.1 mt -68.81 -31.84 71.12 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.399 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.51 -43.55 13.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.887 0.375 . . . . 0.0 111.051 -179.414 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.47 -12.34 59.88 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.778 -179.662 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 96' ' ' LEU . . . . . 0.459 ' O ' ' HB ' ' D' ' 99' ' ' ILE . 0.1 OUTLIER -38.33 -51.83 1.52 Allowed 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.977 0.418 . . . . 0.0 112.05 -179.636 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -69.76 -29.82 67.25 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.174 -179.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 98' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.72 -34.14 73.47 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 177.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 99' ' ' ILE . . . . . 0.526 ' O ' ' OG1' ' D' ' 103' ' ' THR . 42.1 mt -61.9 -49.91 82.28 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.888 0 CA-C-N 114.464 -1.244 . . . . 0.0 109.888 178.61 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 100' ' ' HIS . . . . . 0.51 ' HB2' ' CD1' ' D' ' 110' ' ' LEU . 1.7 t-160 -56.24 -34.72 66.62 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 178.138 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.74 -44.3 73.44 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 114.585 -1.188 . . . . 0.0 111.359 179.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 102' ' ' LEU . . . . . 0.419 HD11 HD21 ' C' ' 25' ' ' LEU . 0.4 OUTLIER -118.38 25.07 10.54 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.801 -177.7 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' D' D ' 103' ' ' THR . . . . . 0.526 ' OG1' ' O ' ' D' ' 99' ' ' ILE . 53.5 p -144.75 -3.49 0.79 Allowed 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 2.1 t70 57.57 20.18 5.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.911 0.386 . . . . 0.0 110.847 -179.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 105' ' ' SER . . . . . 0.441 ' HB2' ' CZ ' ' C' ' 21' ' ' TYR . 11.4 p -80.35 72.93 7.23 Favored 'General case' 0 CA--C 1.512 -0.494 0 CA-C-O 121.68 0.752 . . . . 0.0 109.979 179.228 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 106' ' ' SER . . . . . 0.431 ' C ' ' O ' ' D' ' 105' ' ' SER . 11.3 t -20.45 134.77 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 113.761 -1.563 . . . . 0.0 112.67 -179.416 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -50.78 -25.51 4.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.914 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.12 -55.0 36.08 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 121.13 0.49 . . . . 0.0 110.034 179.418 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 109' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -63.26 -41.29 99.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.645 178.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 110' ' ' LEU . . . . . 0.51 ' CD1' ' HB2' ' D' ' 100' ' ' HIS . 91.7 mt -60.53 -32.97 71.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.189 179.033 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 111' ' ' ASP . . . . . 0.442 ' HA ' ' HD1' ' D' ' 114' ' ' HIS . 9.7 t0 -66.43 -47.14 74.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.811 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 112' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -58.79 -38.33 78.31 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.528 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 113' ' ' LEU . . . . . 0.445 HD21 ' O ' ' C' ' 14' ' ' ALA . 0.5 OUTLIER -76.51 -29.07 56.63 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.041 -179.773 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' D' D ' 114' ' ' HIS . . . . . 0.606 ' HA ' HD23 ' D' ' 93' ' ' LEU . 0.0 OUTLIER -64.45 -34.4 78.1 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.498 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' D' D ' 115' ' ' SER . . . . . 0.42 ' N ' ' CD2' ' D' ' 114' ' ' HIS . 7.7 t -74.95 -37.65 61.91 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 178.447 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 116' ' ' VAL . . . . . 0.406 ' O ' ' CD2' ' D' ' 122' ' ' LEU . 27.2 t -62.79 -23.64 33.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.764 178.292 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 117' ' ' PHE . . . . . 0.464 ' HB3' ' CG1' ' D' ' 89' ' ' VAL . 11.7 m-30 -103.55 -24.54 13.41 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.398 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 118' ' ' GLN . . . . . 0.405 ' OE1' ' CD2' ' D' ' 114' ' ' HIS . 0.0 OUTLIER -71.59 -29.97 65.3 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.819 0.342 . . . . 0.0 111.336 -179.638 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -44.21 119.82 1.94 Allowed 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.593 -179.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 120' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.05 -45.25 93.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.682 179.697 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 121' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -56.47 -34.28 66.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.701 179.633 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 122' ' ' LEU . . . . . 0.406 ' CD2' ' O ' ' D' ' 116' ' ' VAL . 55.4 tp -55.76 -49.12 73.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.398 179.736 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 123' ' ' HIS . . . . . 0.653 ' HA ' ' CD1' ' D' ' 126' ' ' LEU . 0.0 OUTLIER -52.54 -26.57 13.55 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.13 0.49 . . . . 0.0 109.916 179.007 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' D' D ' 124' ' ' THR . . . . . . . . . . . . . 3.2 m -77.44 -34.4 54.53 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.978 179.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 125' ' ' LEU . . . . . 0.403 ' CD1' ' HA ' ' D' ' 122' ' ' LEU . 13.9 mt -67.46 -37.34 82.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.661 179.688 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 126' ' ' LEU . . . . . 0.653 ' CD1' ' HA ' ' D' ' 123' ' ' HIS . 0.4 OUTLIER -73.03 -46.71 50.34 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.109 -179.853 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' D' D ' 127' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -57.44 -53.11 61.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.018 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 128' ' ' LEU . . . . . 0.421 HD21 ' CD2' ' A' ' 59' ' ' TYR . 7.3 mt -68.86 -29.14 67.39 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.501 179.607 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 129' ' ' TYR . . . . . 0.543 ' O ' ' HG ' ' C' ' 48' ' ' LEU . 1.1 t80 -55.3 -53.1 60.38 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.42 -179.168 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 130' ' ' ASP . . . . . 0.54 ' HB3' HD12 ' D' ' 82' ' ' LEU . 3.5 t70 -77.73 -32.24 52.69 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.209 179.635 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 131' ' ' LYS . . . . . . . . . . . . . 9.6 mmtp -54.54 -52.95 60.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.27 -179.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 132' ' ' ILE . . . . . . . . . . . . . 4.0 mt -77.6 -38.36 25.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.903 0.382 . . . . 0.0 110.85 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 133' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.277 -179.7 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.6 mtm-85 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.14 -38.31 90.6 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 121.079 0.466 . . . . 0.0 109.749 179.157 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 54.4 mm-40 -77.52 -29.59 52.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.079 179.124 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -78.77 -29.43 45.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.989 179.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.46 HG23 ' CE2' ' A' ' 44' ' ' PHE . 52.3 m -73.16 -49.23 29.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.408 179.673 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -69.72 -33.51 72.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.89 0.376 . . . . 0.0 110.143 179.544 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.94 -24.22 55.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.957 178.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.458 ' O ' HD21 ' B' ' 113' ' ' LEU . . . -78.43 -54.9 5.68 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.554 178.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.618 ' HB3' ' CD2' ' A' ' 44' ' ' PHE . 0.3 OUTLIER -62.95 -26.37 68.79 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.749 179.352 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 9.3 m170 -73.33 -44.94 57.93 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 178.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.421 HD22 ' CZ ' ' A' ' 21' ' ' TYR . 2.8 mt -62.59 -38.45 90.18 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.738 178.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.425 ' HB3' ' CG2' ' A' ' 37' ' ' ILE . 12.5 mt -63.58 -40.27 96.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.627 179.532 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -60.61 -44.66 96.05 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.15 0.5 . . . . 0.0 110.635 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -69.11 -29.49 67.57 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.801 179.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.622 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 21.6 m-30 -72.04 -48.6 43.24 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.595 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.6 ptt85 -55.58 -39.46 70.73 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.855 0.359 . . . . 0.0 110.178 179.33 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.64 -46.34 90.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.576 179.221 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.3 ptmt -98.92 16.19 23.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.91 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.622 ' HB2' ' O ' ' A' ' 21' ' ' TYR . 0.0 OUTLIER -111.3 -66.26 1.1 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.736 0.303 . . . . 0.0 111.334 -179.385 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.494 ' HB2' ' HB2' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -63.88 -14.92 57.3 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.156 -0.474 . . . . 0.0 112.226 -178.735 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.425 ' OE1' ' NH1' ' A' ' 31' ' ' ARG . 0.2 OUTLIER -76.14 57.28 1.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.858 0.361 . . . . 0.0 110.918 -179.735 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.475 ' CG2' ' H ' ' A' ' 29' ' ' GLU . 9.0 t -176.38 -58.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.835 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.475 ' H ' ' CG2' ' A' ' 28' ' ' THR . 12.0 pt-20 -170.76 28.78 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.07 -0.513 . . . . 0.0 112.202 -178.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.452 ' CB ' HD23 ' A' ' 25' ' ' LEU . 0.5 OUTLIER -137.45 43.76 2.29 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.853 0.359 . . . . 0.0 111.459 -179.878 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.468 ' HA ' ' HB2' ' A' ' 26' ' ' SER . 18.0 mmm180 -55.54 -49.41 72.74 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-O 121.179 0.514 . . . . 0.0 110.311 179.49 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -56.0 -46.65 78.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.841 179.076 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.437 ' CD2' ' HB2' ' B' ' 95' ' ' SER . 4.1 tp -54.65 -32.15 58.62 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.852 178.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.494 ' HB2' ' HB2' ' A' ' 26' ' ' SER . 0.2 OUTLIER -60.66 -48.11 83.24 Favored 'General case' 0 CA--C 1.513 -0.451 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 178.529 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.34 -36.37 63.74 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.867 179.032 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.461 ' O ' ' HB2' ' A' ' 39' ' ' ARG . 1.4 m -67.31 -51.24 54.93 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.234 0.54 . . . . 0.0 109.901 178.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.524 ' O ' HG12 ' A' ' 41' ' ' ILE . 56.6 mt -56.09 -40.97 67.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.938 -0.573 . . . . 0.0 109.621 178.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -59.11 -39.99 83.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.507 179.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.507 ' CB ' ' HB3' ' B' ' 88' ' ' ALA . 6.9 mtt180 -55.56 -53.56 54.91 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 121.322 0.582 . . . . 0.0 109.871 179.181 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.475 ' O ' ' CD1' ' A' ' 44' ' ' PHE . 42.1 t -59.89 -32.36 49.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.895 -179.765 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.524 HG12 ' O ' ' A' ' 37' ' ' ILE . 4.3 mm -71.02 -49.88 46.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 C-N-CA 120.897 -0.321 . . . . 0.0 111.135 179.563 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.6 p -65.35 -48.26 73.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.839 0.352 . . . . 0.0 110.953 -179.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.446 HG21 HD13 ' A' ' 43' ' ' ILE . 5.4 mt -59.89 -34.55 56.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.335 179.445 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.618 ' CD2' ' HB3' ' A' ' 15' ' ' LEU . 3.9 m-85 -72.23 -54.04 10.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.676 178.818 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.478 ' HG3' ' O ' ' A' ' 41' ' ' ILE . 39.2 mt-30 -56.55 -46.22 80.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.773 -179.292 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.477 ' CB ' ' CE1' ' B' ' 129' ' ' TYR . 0.1 OUTLIER -27.91 113.71 0.07 Allowed 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.856 -179.317 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -47.84 -27.28 2.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.932 -179.319 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.411 ' HG ' ' HA ' ' B' ' 129' ' ' TYR . 1.8 tp -72.12 -48.25 45.1 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 120.678 -0.409 . . . . 0.0 109.907 179.603 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.429 ' CZ ' HD23 ' B' ' 126' ' ' LEU . 52.6 t80 -52.02 -40.26 60.78 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.98 179.158 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.41 ' OE1' ' N ' ' A' ' 50' ' ' GLN . 4.7 mp0 -63.85 -41.06 97.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.033 178.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.68 -48.04 82.45 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.797 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.425 ' CD1' ' N ' ' B' ' 129' ' ' TYR . 0.8 OUTLIER -57.55 -45.21 85.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.949 0.404 . . . . 0.0 110.36 179.528 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 77.1 mt -55.35 -38.05 46.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.396 179.227 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -73.95 -38.0 64.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.709 179.23 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.446 HG23 HD11 ' A' ' 55' ' ' ILE . 64.7 mt -62.07 -46.15 97.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.214 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -51.1 -22.32 2.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.627 -179.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -46.7 -35.66 6.31 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.74 0.305 . . . . 0.0 111.145 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -151.7 27.79 0.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.239 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.441 ' CE2' ' CD1' ' C' ' 63' ' ' LEU . 54.1 m-85 -134.51 71.79 1.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.474 179.767 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.412 ' HB2' ' HB ' ' C' ' 62' ' ' THR . 2.2 mt-10 -58.97 94.71 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.783 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -72.59 103.66 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.009 0.433 . . . . 0.0 110.957 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.439 ' HB ' ' HB2' ' C' ' 60' ' ' GLU . 1.9 m -85.25 112.92 21.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.652 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.449 ' CD1' ' CE2' ' C' ' 59' ' ' TYR . 0.2 OUTLIER -88.34 132.21 34.51 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.785 -179.844 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.47 ' N ' ' CD2' ' A' ' 64' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.004 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . 0.46 ' HA ' ' CB ' ' B' ' 130' ' ' ASP . 8.8 tt . . . . . 0 N--CA 1.447 -0.611 0 CA-C-O 121.415 0.626 . . . . 0.0 110.111 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . 0.577 ' O ' ' HB3' ' B' ' 87' ' ' ARG . 0.5 OUTLIER -75.18 -39.72 59.98 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.093 -0.958 . . . . 0.0 111.385 -179.352 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . 0.538 ' N ' ' CD2' ' B' ' 83' ' ' LEU . . . -65.4 -26.18 67.88 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.064 -178.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 85' ' ' ALA . . . . . 0.597 ' CB ' ' HB3' ' B' ' 126' ' ' LEU . . . -53.35 -25.16 14.2 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.055 0.455 . . . . 0.0 110.262 179.231 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -124.67 -45.22 1.92 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.785 178.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 87' ' ' ARG . . . . . 0.577 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 8.8 ttt180 -58.5 -46.73 86.1 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.314 179.014 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . 0.507 ' HB3' ' CB ' ' A' ' 39' ' ' ARG . . . -65.06 -41.19 95.37 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.906 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 89' ' ' VAL . . . . . 0.437 ' CG1' ' CD1' ' B' ' 117' ' ' PHE . 46.2 t -68.62 -36.65 75.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.649 179.44 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 11.5 t -76.04 -41.06 51.99 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.515 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 91' ' ' GLN . . . . . 0.479 ' NE2' ' HA ' ' B' ' 88' ' ' ALA . 7.7 pt20 -66.67 -49.24 66.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.186 0.517 . . . . 0.0 109.676 179.779 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 46.8 t -64.89 -28.03 43.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.31 177.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 93' ' ' LEU . . . . . 0.626 HD21 ' HA ' ' B' ' 114' ' ' HIS . 1.7 mt -60.94 -45.99 92.48 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.353 179.543 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -76.12 -25.68 55.61 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.957 -179.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 95' ' ' SER . . . . . 0.437 ' HB2' ' CD2' ' A' ' 33' ' ' LEU . 9.7 p -79.02 -27.51 43.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.642 -179.714 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . 0.461 ' O ' ' HB ' ' B' ' 99' ' ' ILE . 0.2 OUTLIER -37.43 -52.3 1.13 Allowed 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 112.589 0.588 . . . . 0.0 112.589 -179.332 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -69.46 -29.53 67.24 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.152 -179.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' B' ' 95' ' ' SER . 0.1 OUTLIER -69.64 -34.69 74.39 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 177.898 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 99' ' ' ILE . . . . . 0.508 ' O ' HG23 ' B' ' 103' ' ' THR . 39.6 mt -61.99 -49.23 84.99 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.819 0 CA-C-N 114.471 -1.241 . . . . 0.0 109.852 178.444 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 100' ' ' HIS . . . . . 0.5 ' HB2' ' CD1' ' B' ' 110' ' ' LEU . 1.7 t-160 -56.46 -33.9 66.35 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 178.084 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -56.56 -45.32 81.31 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.494 -1.23 . . . . 0.0 111.993 179.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 102' ' ' LEU . . . . . 0.408 HD11 HD22 ' A' ' 25' ' ' LEU . 0.4 OUTLIER -117.32 30.22 7.43 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 -177.257 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 103' ' ' THR . . . . . 0.508 HG23 ' O ' ' B' ' 99' ' ' ILE . 40.8 p -146.87 -32.58 0.31 Allowed 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.994 -0.283 . . . . 0.0 111.529 179.568 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 69.42 27.44 4.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.066 0.46 . . . . 0.0 110.486 -179.558 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 105' ' ' SER . . . . . 0.421 ' HB3' ' CE1' ' A' ' 21' ' ' TYR . 27.4 m -51.4 -76.98 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.835 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 168.28 104.8 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.509 179.757 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 66.5 tt0 -48.08 -32.87 7.34 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.929 0.395 . . . . 0.0 110.638 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.46 -47.19 73.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.796 179.071 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -63.98 -36.62 84.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.85 179.039 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 110' ' ' LEU . . . . . 0.5 ' CD1' ' HB2' ' B' ' 100' ' ' HIS . 17.1 mt -59.8 -44.93 93.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.07 179.091 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 111' ' ' ASP . . . . . 0.462 ' HA ' ' HD1' ' B' ' 114' ' ' HIS . 7.1 m-20 -60.79 -41.79 96.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.661 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.66 -39.83 81.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.575 179.728 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 113' ' ' LEU . . . . . 0.458 HD21 ' O ' ' A' ' 14' ' ' ALA . 0.5 OUTLIER -74.58 -31.78 62.17 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.977 -179.894 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 114' ' ' HIS . . . . . 0.626 ' HA ' HD21 ' B' ' 93' ' ' LEU . 0.0 OUTLIER -61.38 -34.74 75.84 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 178.585 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 115' ' ' SER . . . . . 0.462 ' N ' ' CD2' ' B' ' 114' ' ' HIS . 0.6 OUTLIER -75.12 -37.44 61.43 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 178.48 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 116' ' ' VAL . . . . . 0.403 ' O ' ' CD2' ' B' ' 122' ' ' LEU . 38.7 t -62.47 -23.83 33.47 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.027 178.564 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 117' ' ' PHE . . . . . 0.437 ' CD1' ' CG1' ' B' ' 89' ' ' VAL . 25.0 m-85 -102.95 -29.09 11.63 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.22 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.86 -31.17 71.97 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.832 0.349 . . . . 0.0 111.113 -179.539 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -45.75 121.46 3.14 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.456 -179.596 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 5.2 tp60 -66.29 -43.46 86.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.849 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -55.74 -33.87 64.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.804 179.721 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . 0.403 ' CD2' ' O ' ' B' ' 116' ' ' VAL . 33.2 tp -55.82 -47.43 77.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.613 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 123' ' ' HIS . . . . . 0.452 ' HA ' ' CD1' ' B' ' 126' ' ' LEU . 0.0 OUTLIER -55.98 -25.75 45.33 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 179.18 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 124' ' ' THR . . . . . 0.434 ' N ' ' CD2' ' B' ' 123' ' ' HIS . 1.3 m -74.39 -37.51 63.38 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 178.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 3.4 mt -73.14 -32.45 64.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.364 178.12 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . 0.597 ' HB3' ' CB ' ' B' ' 85' ' ' ALA . 8.7 mt -73.27 -50.43 22.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.071 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -66.17 -39.04 89.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.996 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . 0.433 ' CD2' ' CD2' ' C' ' 59' ' ' TYR . 84.4 mt -72.73 -34.07 66.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.497 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 129' ' ' TYR . . . . . 0.477 ' CE1' ' CB ' ' A' ' 46' ' ' SER . 0.3 OUTLIER -60.41 -51.98 67.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.734 -179.636 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 130' ' ' ASP . . . . . 0.46 ' CB ' ' HA ' ' B' ' 82' ' ' LEU . 35.9 m-20 -76.42 -27.49 56.28 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.331 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 18.1 mttp -59.58 -51.89 67.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.757 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 132' ' ' ILE . . . . . 0.404 ' HB ' HD21 ' A' ' 48' ' ' LEU . 3.0 mt -73.46 -38.39 52.77 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.527 179.651 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 133' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -59.52 -30.12 68.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.774 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 90.6 m -81.4 -31.69 33.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -79.31 -34.01 42.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.219 0 N-CA-C 110.511 -0.181 . . . . 0.0 110.511 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 12.7 mtmt -67.68 -31.89 72.18 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.031 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 58.0 mm-40 -80.65 -32.02 36.27 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.188 179.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.55 -30.06 33.25 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.955 0.407 . . . . 0.0 110.21 179.702 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 21.6 p -73.04 -42.3 63.27 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.808 179.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 12' ' ' GLN . . . . . 0.509 ' O ' ' HB2' ' C' ' 16' ' ' HIS . 0.6 OUTLIER -69.04 -48.4 62.95 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.18 179.196 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -63.54 -24.98 68.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.991 179.135 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 14' ' ' ALA . . . . . 0.453 ' O ' HD23 ' D' ' 113' ' ' LEU . . . -78.39 -52.52 8.45 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.717 179.06 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 15' ' ' LEU . . . . . 0.478 ' CD2' ' HB3' ' C' ' 44' ' ' PHE . 0.4 OUTLIER -66.42 -28.39 68.58 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.011 179.753 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' C' C ' 16' ' ' HIS . . . . . 0.509 ' HB2' ' O ' ' C' ' 12' ' ' GLN . 0.1 OUTLIER -72.24 -45.09 61.68 Favored 'General case' 0 CA--C 1.519 -0.224 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 178.502 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . 0.452 ' CD2' ' CZ ' ' C' ' 21' ' ' TYR . 1.5 mt -62.55 -38.57 90.54 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.266 178.6 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . 0.455 ' HB2' ' CD1' ' C' ' 41' ' ' ILE . 36.3 mt -61.03 -43.15 99.32 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.815 -1.084 . . . . 0.0 110.831 179.702 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 19' ' ' GLU . . . . . 0.408 ' HA ' ' HD3' ' C' ' 22' ' ' ARG . 2.0 mt-10 -62.09 -42.34 99.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.982 -179.779 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -72.8 -32.87 65.87 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.231 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 21' ' ' TYR . . . . . 0.598 ' O ' ' HB2' ' C' ' 25' ' ' LEU . 17.1 m-30 -70.3 -47.21 62.18 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.658 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 22' ' ' ARG . . . . . 0.43 ' HB2' ' HB2' ' C' ' 34' ' ' ARG . 0.4 OUTLIER -58.24 -45.4 87.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.912 179.859 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' C' C ' 23' ' ' SER . . . . . 0.419 ' N ' ' HG3' ' C' ' 22' ' ' ARG . 4.3 m -59.35 -41.63 89.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.579 179.651 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 24' ' ' LYS . . . . . 0.432 ' HG3' ' HB ' ' D' ' 103' ' ' THR . 9.8 ptmt -91.08 1.68 56.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.198 179.636 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 25' ' ' LEU . . . . . 0.598 ' HB2' ' O ' ' C' ' 21' ' ' TYR . 0.1 OUTLIER -87.97 -69.82 0.67 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.96 0.409 . . . . 0.0 111.153 -179.63 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' C' C ' 26' ' ' SER . . . . . 0.751 ' OG ' ' HB3' ' C' ' 34' ' ' ARG . 69.5 m -62.94 -153.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.087 -179.152 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 27' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 60.39 21.02 10.62 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-O 120.961 0.41 . . . . 0.0 109.985 -179.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 28' ' ' THR . . . . . 0.481 ' CG2' ' H ' ' C' ' 29' ' ' GLU . 8.3 t -144.62 -57.85 0.36 Allowed 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.002 -179.389 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 29' ' ' GLU . . . . . 0.481 ' H ' ' CG2' ' C' ' 28' ' ' THR . 16.4 pt-20 -177.61 28.45 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.721 -179.343 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -149.48 53.26 0.95 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.994 0.426 . . . . 0.0 110.761 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . 0.501 ' HA ' ' HG ' ' C' ' 26' ' ' SER . 13.7 mmm180 -63.6 -53.37 52.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.867 -179.787 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.46 -36.5 71.52 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.593 179.702 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 33' ' ' LEU . . . . . 0.427 HD12 ' CB ' ' D' ' 95' ' ' SER . 1.1 tp -60.12 -48.87 79.91 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.322 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 34' ' ' ARG . . . . . 0.751 ' HB3' ' OG ' ' C' ' 26' ' ' SER . 0.0 OUTLIER -61.41 -29.74 70.12 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 179.203 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 1.7 t -59.68 -42.97 94.12 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.428 178.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 36' ' ' SER . . . . . 0.431 ' O ' ' CG ' ' C' ' 39' ' ' ARG . 11.3 p -62.58 -42.31 99.48 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 178.484 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 37' ' ' ILE . . . . . 0.56 ' O ' HG12 ' C' ' 41' ' ' ILE . 40.6 mt -59.82 -41.66 86.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 178.306 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -58.6 -53.26 60.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 114.764 -1.107 . . . . 0.0 111.396 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 39' ' ' ARG . . . . . 0.625 ' HG3' ' HB2' ' D' ' 88' ' ' ALA . 4.2 ptp85 -55.91 -34.37 65.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.874 0.369 . . . . 0.0 110.05 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . 0.479 ' O ' ' HB2' ' C' ' 44' ' ' PHE . 59.7 t -68.79 -30.24 46.35 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.844 178.435 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 41' ' ' ILE . . . . . 0.56 HG12 ' O ' ' C' ' 37' ' ' ILE . 20.3 mm -69.34 -60.37 2.55 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.144 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.98 179.371 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 19.8 p -56.7 -46.01 81.47 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.901 0.381 . . . . 0.0 110.384 -179.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 43' ' ' ILE . . . . . 0.475 HG23 HD11 ' C' ' 43' ' ' ILE . 21.5 mt -60.44 -33.16 53.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.803 178.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 44' ' ' PHE . . . . . 0.479 ' HB2' ' O ' ' C' ' 40' ' ' VAL . 0.2 OUTLIER -72.73 -60.06 2.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.839 179.55 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' C' C ' 45' ' ' GLN . . . . . 0.411 ' NE2' HG21 ' C' ' 41' ' ' ILE . 6.2 pt20 -78.39 -2.03 36.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.98 -178.671 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 46' ' ' SER . . . . . 0.407 ' CB ' ' CE1' ' D' ' 129' ' ' TYR . 0.1 OUTLIER -47.66 151.73 0.8 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.813 0.34 . . . . 0.0 111.46 -179.698 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.78 -31.84 70.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.987 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . 0.552 ' CD1' ' HA ' ' D' ' 129' ' ' TYR . 0.3 OUTLIER -77.68 -47.04 20.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.082 179.691 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' C' C ' 49' ' ' PHE . . . . . 0.438 ' CE2' ' CD1' ' C' ' 53' ' ' ILE . 71.1 t80 -50.68 -56.18 13.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.249 -179.44 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -54.45 -39.64 67.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.837 0.351 . . . . 0.0 110.796 179.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.65 -45.28 89.67 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.063 0.459 . . . . 0.0 110.464 179.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 52' ' ' LEU . . . . . 0.42 ' CD1' ' N ' ' D' ' 129' ' ' TYR . 1.5 mt -61.34 -45.21 95.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.003 179.312 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 53' ' ' ILE . . . . . 0.438 ' CD1' ' CE2' ' C' ' 49' ' ' PHE . 54.9 mt -55.55 -31.84 29.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.228 179.125 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.9 -35.94 67.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.173 179.199 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 55' ' ' ILE . . . . . 0.405 ' CG2' ' HB2' ' C' ' 59' ' ' TYR . 56.5 mt -64.1 -50.7 75.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.789 179.573 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 56' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -50.21 -24.88 3.12 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.501 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 57' ' ' GLU . . . . . 0.407 ' O ' ' CD2' ' C' ' 58' ' ' PHE . 3.2 mm-40 -46.66 -29.66 1.97 Allowed 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.869 0.366 . . . . 0.0 110.992 179.77 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 58' ' ' PHE . . . . . 0.407 ' CD2' ' O ' ' C' ' 57' ' ' GLU . 61.1 m-85 -157.24 27.66 0.3 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.156 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 59' ' ' TYR . . . . . 0.449 ' CE2' ' CD1' ' A' ' 63' ' ' LEU . 47.5 m-85 -137.67 74.58 1.49 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.691 179.7 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 60' ' ' GLU . . . . . 0.439 ' HB2' ' HB ' ' A' ' 62' ' ' THR . 0.7 OUTLIER -57.74 91.83 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.207 -179.847 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' C' C ' 61' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -73.35 99.99 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 120.834 0.349 . . . . 0.0 111.02 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 62' ' ' THR . . . . . 0.412 ' HB ' ' HB2' ' A' ' 60' ' ' GLU . 2.8 m -84.84 119.01 24.84 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.413 179.614 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 63' ' ' LEU . . . . . 0.441 ' CD1' ' CE2' ' A' ' 59' ' ' TYR . 0.2 OUTLIER -91.94 134.54 34.7 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.056 -179.704 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' C' C ' 64' ' ' LEU . . . . . 0.486 ' CD2' ' N ' ' C' ' 64' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.778 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 82' ' ' LEU . . . . . 0.59 ' CD2' ' N ' ' D' ' 82' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 83' ' ' LEU . . . . . 0.715 ' O ' ' HB3' ' D' ' 87' ' ' ARG . 0.1 OUTLIER -59.12 -53.82 54.01 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 114.839 -1.073 . . . . 0.0 110.688 179.912 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' D' D ' 84' ' ' ALA . . . . . 0.534 ' H ' ' CD2' ' D' ' 83' ' ' LEU . . . -72.18 -22.94 61.21 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.07 -179.294 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 85' ' ' ALA . . . . . 0.46 ' CB ' ' CB ' ' D' ' 126' ' ' LEU . . . -52.75 -25.38 11.0 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.147 0.499 . . . . 0.0 109.854 179.167 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 86' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -127.11 -39.66 1.9 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.08 178.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 87' ' ' ARG . . . . . 0.715 ' HB3' ' O ' ' D' ' 83' ' ' LEU . 12.3 ttt180 -63.75 -40.34 96.47 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.269 179.263 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 88' ' ' ALA . . . . . 0.625 ' HB2' ' HG3' ' C' ' 39' ' ' ARG . . . -68.63 -49.67 57.37 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.682 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 89' ' ' VAL . . . . . 0.515 ' CG1' ' HB3' ' D' ' 117' ' ' PHE . 27.5 t -66.82 -34.71 71.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.349 179.261 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 90' ' ' SER . . . . . 0.459 ' HA ' ' HB2' ' D' ' 93' ' ' LEU . 58.3 m -76.16 -25.49 55.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.697 179.572 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 91' ' ' GLN . . . . . 0.418 ' NE2' ' HG2' ' D' ' 87' ' ' ARG . 10.2 mt-30 -66.81 -54.52 21.68 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-O 121.31 0.576 . . . . 0.0 109.524 179.369 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 92' ' ' VAL . . . . . 0.442 HG21 ' HA ' ' C' ' 37' ' ' ILE . 3.7 t -68.09 -28.06 39.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.945 178.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 93' ' ' LEU . . . . . 0.623 HD23 ' HA ' ' D' ' 114' ' ' HIS . 2.0 mt -66.22 -32.96 74.7 Favored 'General case' 0 C--O 1.23 0.059 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.284 179.707 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -86.29 -44.66 11.94 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.834 0.35 . . . . 0.0 111.355 -179.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 95' ' ' SER . . . . . 0.427 ' CB ' HD12 ' C' ' 33' ' ' LEU . 0.3 OUTLIER -79.98 -13.86 59.02 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.093 -0.503 . . . . 0.0 112.318 -179.284 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' D' D ' 96' ' ' LEU . . . . . 0.47 ' O ' ' HB ' ' D' ' 99' ' ' ILE . 0.2 OUTLIER -39.49 -52.09 2.14 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -179.355 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -68.21 -31.43 70.93 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.232 -179.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 98' ' ' GLU . . . . . 0.402 ' O ' ' CB ' ' D' ' 101' ' ' ALA . 0.1 OUTLIER -69.87 -33.38 72.17 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 178.204 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' D' D ' 99' ' ' ILE . . . . . 0.48 ' O ' ' OG1' ' D' ' 103' ' ' THR . 50.8 mt -63.21 -48.99 84.99 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.811 0 CA-C-N 114.521 -1.218 . . . . 0.0 109.491 178.458 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 100' ' ' HIS . . . . . 0.494 ' HB2' ' CD1' ' D' ' 110' ' ' LEU . 1.7 t-160 -55.43 -34.59 64.58 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 177.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 101' ' ' ALA . . . . . 0.402 ' CB ' ' O ' ' D' ' 98' ' ' GLU . . . -54.97 -46.88 75.11 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 114.445 -1.252 . . . . 0.0 111.582 178.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 102' ' ' LEU . . . . . 0.436 HD12 HD23 ' C' ' 25' ' ' LEU . 0.4 OUTLIER -116.82 35.47 4.59 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.312 -0.858 . . . . 0.0 112.464 -177.836 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' D' D ' 103' ' ' THR . . . . . 0.48 ' OG1' ' O ' ' D' ' 99' ' ' ILE . 49.9 p -152.0 -30.89 0.16 Allowed 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.902 -0.319 . . . . 0.0 111.783 179.796 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 76.64 22.85 1.13 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.008 0.432 . . . . 0.0 110.669 -179.452 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 105' ' ' SER . . . . . 0.44 ' HB3' ' CE1' ' C' ' 21' ' ' TYR . 1.9 p -57.02 -21.64 32.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.917 179.479 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 106' ' ' SER . . . . . 0.408 ' CB ' ' O ' ' D' ' 105' ' ' SER . 4.4 t 81.47 120.85 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.748 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -51.16 -29.17 12.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.124 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.72 -55.11 39.15 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.024 0.44 . . . . 0.0 110.201 179.641 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 109' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -63.19 -35.28 79.78 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.956 179.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 110' ' ' LEU . . . . . 0.494 ' CD1' ' HB2' ' D' ' 100' ' ' HIS . 40.2 mt -63.71 -40.18 96.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.105 179.212 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 111' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -61.45 -44.38 97.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.399 179.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 112' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -58.98 -42.28 89.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.303 179.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 113' ' ' LEU . . . . . 0.453 HD23 ' O ' ' C' ' 14' ' ' ALA . 0.5 OUTLIER -73.06 -31.66 64.55 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.797 -179.797 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' D' D ' 114' ' ' HIS . . . . . 0.623 ' HA ' HD23 ' D' ' 93' ' ' LEU . 36.7 m170 -60.21 -35.4 75.33 Favored 'General case' 0 CA--C 1.518 -0.273 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 177.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 115' ' ' SER . . . . . 0.423 ' HA ' ' HB2' ' D' ' 118' ' ' GLN . 4.7 t -73.81 -39.44 64.08 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.03 178.806 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 116' ' ' VAL . . . . . 0.414 HG13 ' CE1' ' D' ' 117' ' ' PHE . 62.5 t -60.67 -23.49 29.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.91 178.475 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 117' ' ' PHE . . . . . 0.515 ' HB3' ' CG1' ' D' ' 89' ' ' VAL . 7.9 m-30 -106.24 -21.47 13.1 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.393 -179.672 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 118' ' ' GLN . . . . . 0.423 ' HB2' ' HA ' ' D' ' 115' ' ' SER . 0.0 OUTLIER -71.83 -30.44 65.49 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.718 0.294 . . . . 0.0 111.134 -179.745 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -43.48 142.57 1.11 Allowed 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.734 -179.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 120' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -82.79 -48.76 10.45 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.843 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 121' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.7 -34.0 64.69 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.549 179.694 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 122' ' ' LEU . . . . . 0.408 ' CD2' ' O ' ' D' ' 116' ' ' VAL . 43.0 tp -55.8 -49.25 73.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.145 179.656 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 123' ' ' HIS . . . . . 0.639 ' HA ' ' CD1' ' D' ' 126' ' ' LEU . 0.0 OUTLIER -52.31 -27.13 14.08 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.094 179.08 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' D' D ' 124' ' ' THR . . . . . 0.402 ' N ' ' CD2' ' D' ' 123' ' ' HIS . 3.6 m -75.44 -35.25 60.96 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.948 179.243 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 125' ' ' LEU . . . . . 0.4 ' CD1' ' HA ' ' D' ' 122' ' ' LEU . 14.7 mt -65.26 -41.19 94.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.229 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 126' ' ' LEU . . . . . 0.639 ' CD1' ' HA ' ' D' ' 123' ' ' HIS . 0.3 OUTLIER -73.13 -41.42 64.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.263 -179.65 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' D' D ' 127' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.4 -53.25 60.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.862 0.363 . . . . 0.0 111.08 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 128' ' ' LEU . . . . . 0.431 HD23 ' CD2' ' A' ' 59' ' ' TYR . 5.2 mt -70.16 -29.54 66.47 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.323 179.729 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 129' ' ' TYR . . . . . 0.552 ' HA ' ' CD1' ' C' ' 48' ' ' LEU . 3.2 t80 -56.27 -53.53 56.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.515 -179.173 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 130' ' ' ASP . . . . . 0.409 ' HB3' ' CD2' ' D' ' 82' ' ' LEU . 1.7 m-20 -77.51 -29.37 52.41 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.51 -0.313 . . . . 0.0 111.386 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.56 -53.91 48.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.932 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 132' ' ' ILE . . . . . . . . . . . . . 1.8 mt -77.02 -41.8 31.55 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.755 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 133' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 . . . . . 0 C--N 1.326 -0.422 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.246 -179.517 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.21 0 N-CA-C 110.059 -0.348 . . . . 0.0 110.059 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.98 -37.86 88.95 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 121.157 0.503 . . . . 0.0 109.763 178.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 56.2 mm-40 -73.77 -31.57 63.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.12 179.175 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.31 -34.14 55.46 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.016 179.594 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.3 p -72.95 -47.82 42.17 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.019 179.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.407 ' O ' ' CD2' ' A' ' 16' ' ' HIS . 0.5 OUTLIER -63.6 -34.19 77.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.089 179.54 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.416 ' HD3' ' CZ ' ' B' ' 112' ' ' PHE . 59.3 ttt85 -75.32 -25.48 57.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.106 179.043 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.438 ' CB ' HD21 ' B' ' 113' ' ' LEU . . . -78.38 -55.34 5.31 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 178.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.594 ' HA ' HD13 ' A' ' 18' ' ' LEU . 0.3 OUTLIER -60.37 -28.45 68.21 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.128 179.365 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.407 ' CD2' ' O ' ' A' ' 12' ' ' GLN . 9.6 m-70 -73.99 -45.46 49.82 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.228 0.537 . . . . 0.0 110.038 179.006 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.42 HD22 ' CZ ' ' A' ' 21' ' ' TYR . 2.1 mt -60.65 -49.45 77.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.791 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.594 HD13 ' HA ' ' A' ' 15' ' ' LEU . 0.9 OUTLIER -61.99 -35.27 78.03 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.271 179.811 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.421 ' O ' ' CG ' ' A' ' 22' ' ' ARG . 8.8 mt-10 -58.14 -43.44 87.34 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.183 0.516 . . . . 0.0 110.22 179.286 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.489 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 7.3 mm-40 -69.74 -34.37 73.73 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.892 179.37 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.538 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 22.4 m-30 -66.52 -48.56 69.34 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.804 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.421 ' CG ' ' O ' ' A' ' 19' ' ' GLU . 0.3 OUTLIER -55.47 -42.83 74.89 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 120.781 0.324 . . . . 0.0 110.48 179.742 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.407 ' O ' ' CG ' ' A' ' 27' ' ' GLN . 0.8 OUTLIER -63.55 -32.54 74.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.116 179.475 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.489 ' HG3' ' O ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -114.31 21.69 14.43 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.714 0.292 . . . . 0.0 111.762 -179.736 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.538 ' HB2' ' O ' ' A' ' 21' ' ' TYR . 0.0 OUTLIER -118.14 -55.92 2.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.808 0.337 . . . . 0.0 110.87 -179.715 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.567 ' HB2' ' HA ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -67.85 -12.11 59.98 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.181 -0.463 . . . . 0.0 112.12 -178.944 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.434 ' OE1' ' NH1' ' A' ' 31' ' ' ARG . 2.1 mm100 -79.37 55.57 1.94 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.757 0.313 . . . . 0.0 110.885 -179.719 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.476 HG23 ' HG2' ' A' ' 29' ' ' GLU . 5.8 t -173.42 -54.02 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.822 0.304 . . . . 0.0 111.822 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.476 ' HG2' HG23 ' A' ' 28' ' ' THR . 8.5 pt-20 -175.1 27.64 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.983 -179.307 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.412 ' HB2' HD22 ' A' ' 25' ' ' LEU . 1.3 m-20 -136.77 48.13 2.12 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.018 0.437 . . . . 0.0 111.227 -179.643 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.567 ' HA ' ' HB2' ' A' ' 26' ' ' SER . 25.6 mmm180 -61.55 -46.95 87.75 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.202 0.525 . . . . 0.0 110.149 179.308 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.72 -46.78 86.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.58 178.696 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.43 HD11 ' CB ' ' B' ' 95' ' ' SER . 5.2 tp -54.33 -33.43 58.91 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.872 178.817 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.487 ' HB2' ' CB ' ' A' ' 26' ' ' SER . 0.6 OUTLIER -60.68 -47.24 87.13 Favored 'General case' 0 CA--C 1.513 -0.468 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.273 178.746 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.3 t -55.42 -37.26 67.41 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.171 179.062 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.428 ' HA ' ' HD2' ' A' ' 39' ' ' ARG . 1.5 m -67.89 -51.18 51.0 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.166 0.508 . . . . 0.0 110.029 179.06 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.599 ' O ' HG12 ' A' ' 41' ' ' ILE . 67.0 mt -56.9 -41.63 76.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.796 178.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -60.04 -40.52 89.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.738 179.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.435 ' CB ' ' HB1' ' B' ' 88' ' ' ALA . 7.8 mtt180 -55.49 -51.37 67.2 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 121.266 0.555 . . . . 0.0 109.813 179.37 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.535 ' O ' ' HB2' ' A' ' 44' ' ' PHE . 44.4 t -60.44 -31.45 48.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.536 179.615 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.599 HG12 ' O ' ' A' ' 37' ' ' ILE . 7.2 mm -69.1 -52.6 32.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 N-CA-C 111.76 0.281 . . . . 0.0 111.76 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.4 t -65.7 -48.45 71.95 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.834 0.35 . . . . 0.0 111.19 -179.045 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 8.1 mt -59.65 -33.34 51.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.476 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.559 ' CD2' ' HB3' ' A' ' 15' ' ' LEU . 3.0 m-85 -72.23 -54.9 8.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.919 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.434 ' NE2' HG21 ' A' ' 41' ' ' ILE . 5.7 pt20 -82.26 3.16 28.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 112.096 -178.487 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.43 ' OG ' ' CE1' ' B' ' 129' ' ' TYR . 1.6 t -51.29 145.5 8.11 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.85 0.357 . . . . 0.0 111.092 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -61.63 -36.11 79.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.143 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.499 ' CD2' ' HB ' ' B' ' 132' ' ' ILE . 1.5 tp -77.89 -44.99 25.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.091 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.552 ' HA ' ' CD2' ' A' ' 52' ' ' LEU . 19.1 t80 -50.85 -56.24 13.15 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.905 0.383 . . . . 0.0 111.019 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -57.63 -36.7 72.17 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.07 0.462 . . . . 0.0 110.483 179.578 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.55 -49.22 78.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.701 -0.682 . . . . 0.0 111.831 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.617 ' CD1' ' HA ' ' B' ' 125' ' ' LEU . 0.2 OUTLIER -72.97 -32.79 65.43 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.893 -179.268 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.478 HG21 HD11 ' A' ' 53' ' ' ILE . 54.2 mt -55.44 -38.38 48.66 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 178.11 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -68.37 -43.08 78.18 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.271 178.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.44 HG21 ' CG ' ' A' ' 59' ' ' TYR . 82.9 mt -49.93 -40.37 16.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.637 178.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.98 -23.76 8.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.516 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -48.08 -28.27 2.77 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.837 0.351 . . . . 0.0 111.299 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -155.51 25.92 0.4 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.303 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.44 ' CG ' HG21 ' A' ' 55' ' ' ILE . 42.5 m-85 -135.14 82.77 1.98 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.834 179.735 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.22 92.18 0.18 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.907 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -72.77 96.72 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 CA-C-O 120.899 0.38 . . . . 0.0 110.54 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.0 m -83.97 109.06 17.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.607 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.421 HD11 ' CE2' ' C' ' 59' ' ' TYR . 0.2 OUTLIER -86.36 131.88 34.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.731 179.826 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.526 ' N ' ' CD2' ' A' ' 64' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.887 -179.638 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . 0.513 ' HA ' ' CG ' ' B' ' 130' ' ' ASP . 8.5 tt . . . . . 0 N--CA 1.448 -0.555 0 CA-C-O 121.233 0.54 . . . . 0.0 110.646 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . 0.639 ' O ' ' HB3' ' B' ' 87' ' ' ARG . 0.7 OUTLIER -66.26 -39.61 89.59 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.18 -0.918 . . . . 0.0 111.621 -179.388 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . 0.554 ' N ' ' CD2' ' B' ' 83' ' ' LEU . . . -70.86 -26.88 63.46 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.797 -178.135 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 85' ' ' ALA . . . . . 0.533 ' CB ' ' HB3' ' B' ' 126' ' ' LEU . . . -53.39 -23.66 10.26 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.942 0.401 . . . . 0.0 110.405 179.434 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -123.62 -43.28 2.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.71 178.506 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 87' ' ' ARG . . . . . 0.639 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 7.2 ttt85 -61.65 -51.58 67.87 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.298 178.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . 0.529 ' HB3' ' CB ' ' B' ' 84' ' ' ALA . . . -60.15 -35.97 76.5 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.495 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 89' ' ' VAL . . . . . 0.444 HG13 ' CD2' ' B' ' 117' ' ' PHE . 55.2 t -59.83 -45.38 94.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.213 179.131 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 6.1 m -70.65 -24.92 62.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.292 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 91' ' ' GLN . . . . . 0.513 HE21 ' HG2' ' B' ' 87' ' ' ARG . 58.4 mt-30 -67.98 -57.52 6.04 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-O 121.308 0.575 . . . . 0.0 109.932 179.732 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 92' ' ' VAL . . . . . 0.45 ' CG1' ' CD2' ' A' ' 18' ' ' LEU . 4.1 t -66.72 -27.85 41.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.088 179.327 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 93' ' ' LEU . . . . . 0.65 ' CD2' ' HA ' ' B' ' 114' ' ' HIS . 3.8 mt -66.83 -34.66 78.3 Favored 'General case' 0 C--O 1.23 0.077 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.11 179.594 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -89.21 -33.25 17.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.81 0.338 . . . . 0.0 111.355 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 95' ' ' SER . . . . . 0.43 ' CB ' HD11 ' A' ' 33' ' ' LEU . 1.2 m -80.11 -26.1 39.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 112.062 -179.31 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . 0.491 ' HB3' ' CE1' ' B' ' 114' ' ' HIS . 0.2 OUTLIER -38.79 -52.16 1.71 Allowed 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 112.55 0.574 . . . . 0.0 112.55 -178.912 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -68.65 -30.32 69.0 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.96 0.409 . . . . 0.0 111.115 -179.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.49 -35.25 75.37 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 177.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 99' ' ' ILE . . . . . 0.491 ' HB ' ' O ' ' B' ' 96' ' ' LEU . 42.9 mt -61.0 -49.05 86.34 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.764 0 CA-C-N 114.323 -1.308 . . . . 0.0 109.646 178.368 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 100' ' ' HIS . . . . . 0.499 ' HB2' ' CD1' ' B' ' 110' ' ' LEU . 1.6 t-160 -57.17 -33.83 67.84 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 178.268 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -57.14 -44.4 83.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.519 -1.219 . . . . 0.0 112.058 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 102' ' ' LEU . . . . . 0.473 HD11 HD21 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -117.16 26.09 10.02 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 -177.409 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 103' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' B' ' 99' ' ' ILE . 41.2 p -141.42 -32.73 0.53 Allowed 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 121.018 -0.273 . . . . 0.0 111.346 179.483 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 1.1 t70 68.79 27.64 5.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.986 0.422 . . . . 0.0 110.331 -179.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 105' ' ' SER . . . . . 0.424 ' HB3' ' CE1' ' A' ' 21' ' ' TYR . 67.6 m -51.43 -75.72 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.702 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 167.25 104.09 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.418 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -47.15 -33.22 4.96 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.931 0.396 . . . . 0.0 110.495 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.33 -44.43 79.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.553 178.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -62.93 -39.83 95.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.689 178.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 110' ' ' LEU . . . . . 0.499 ' CD1' ' HB2' ' B' ' 100' ' ' HIS . 26.7 mt -59.68 -48.07 83.11 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.589 179.088 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -52.54 -45.11 66.19 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.89 179.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 112' ' ' PHE . . . . . 0.416 ' CZ ' ' HD3' ' A' ' 13' ' ' ARG . 2.4 t80 -58.83 -43.47 90.71 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.692 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 113' ' ' LEU . . . . . 0.438 HD21 ' CB ' ' A' ' 14' ' ' ALA . 0.5 OUTLIER -71.01 -40.02 72.05 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.082 -179.768 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 114' ' ' HIS . . . . . 0.65 ' HA ' ' CD2' ' B' ' 93' ' ' LEU . 99.2 m-70 -56.01 -31.89 63.48 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 178.288 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.64 -37.0 57.04 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 178.321 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 116' ' ' VAL . . . . . 0.442 ' O ' ' CD2' ' B' ' 122' ' ' LEU . 38.4 t -60.29 -28.15 41.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.942 178.655 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 117' ' ' PHE . . . . . 0.493 ' N ' ' HD1' ' B' ' 117' ' ' PHE . 0.6 OUTLIER -96.33 -37.21 10.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.748 -179.859 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 118' ' ' GLN . . . . . 0.404 ' NE2' ' CD1' ' B' ' 93' ' ' LEU . 0.0 OUTLIER -56.56 -31.36 64.12 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.059 -179.735 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -45.67 127.74 7.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.552 -179.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -73.18 -40.1 65.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.681 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -59.34 -35.1 73.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.603 179.761 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . 0.442 ' CD2' ' O ' ' B' ' 116' ' ' VAL . 33.9 tp -56.57 -47.71 78.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.466 179.579 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 123' ' ' HIS . . . . . 0.523 ' HA ' ' CD1' ' B' ' 126' ' ' LEU . 14.0 m170 -55.88 -23.6 32.09 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.097 178.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 3.2 m -78.13 -35.43 49.04 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 178.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . 0.617 ' HA ' ' CD1' ' A' ' 52' ' ' LEU . 19.8 mt -71.97 -31.86 66.69 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.166 -0.924 . . . . 0.0 110.354 179.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . 0.533 ' HB3' ' CB ' ' B' ' 85' ' ' ALA . 5.3 mt -73.02 -46.39 52.3 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.401 -179.431 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -63.24 -46.81 85.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.479 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . 0.465 ' CD2' ' CD2' ' C' ' 59' ' ' TYR . 11.0 mt -66.74 -39.27 87.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.963 0.411 . . . . 0.0 110.978 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 129' ' ' TYR . . . . . 0.463 ' HA ' ' HG ' ' A' ' 48' ' ' LEU . 0.6 OUTLIER -55.47 -47.39 76.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.663 -179.887 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 130' ' ' ASP . . . . . 0.513 ' CG ' ' HA ' ' B' ' 82' ' ' LEU . 0.2 OUTLIER -75.41 -40.17 58.09 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.527 -179.524 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 8.4 tppt? -54.59 -52.08 63.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.599 -179.263 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 132' ' ' ILE . . . . . 0.499 ' HB ' ' CD2' ' A' ' 48' ' ' LEU . 2.4 mt -72.68 -38.62 58.93 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 CA-C-O 120.9 0.381 . . . . 0.0 110.69 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 133' ' ' ASN . . . . . 0.405 ' HB2' HD21 ' A' ' 48' ' ' LEU . 49.1 t30 -59.18 -34.12 71.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.76 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 56.6 m -61.91 -25.89 67.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.033 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 8.4 mttm -110.9 -12.41 14.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.342 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 11.5 t . . . . . 0 C--N 1.33 -0.268 0 CA-C-O 120.697 0.284 . . . . 0.0 111.227 -179.921 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' C' C ' 7' ' ' ARG . . . . . . . . . . . . . 22.4 ttm105 . . . . . 0 N--CA 1.454 -0.25 0 CA-C-O 120.692 0.282 . . . . 0.0 110.45 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.88 -39.25 93.89 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.085 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 48.6 mm-40 -73.82 -25.68 60.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.018 178.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -80.49 -32.64 36.99 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.337 179.583 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.63 -41.59 72.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.451 179.504 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -71.24 -42.86 68.32 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-O 120.923 0.392 . . . . 0.0 110.31 179.571 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 55.5 ttt180 -67.4 -27.03 66.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.806 179.1 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 14' ' ' ALA . . . . . 0.464 ' O ' HD22 ' D' ' 113' ' ' LEU . . . -78.6 -51.9 9.23 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.568 178.805 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 15' ' ' LEU . . . . . 0.529 ' CD2' ' HB3' ' C' ' 44' ' ' PHE . 0.3 OUTLIER -66.11 -29.5 69.82 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.516 179.525 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' C' C ' 16' ' ' HIS . . . . . . . . . . . . . 48.7 t60 -70.77 -44.87 65.8 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 178.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . 0.433 HD23 ' CE1' ' C' ' 21' ' ' TYR . 3.0 mt -62.81 -36.49 83.34 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.153 -0.931 . . . . 0.0 109.348 178.394 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . 0.418 ' HB3' ' CG2' ' C' ' 37' ' ' ILE . 37.1 mt -63.83 -41.98 97.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.44 179.718 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 19' ' ' GLU . . . . . 0.406 ' HA ' ' HG2' ' C' ' 22' ' ' ARG . 0.2 OUTLIER -59.09 -44.17 91.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.171 0.51 . . . . 0.0 110.647 179.806 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -70.38 -32.41 70.06 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.353 179.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 21' ' ' TYR . . . . . 0.63 ' O ' ' HB2' ' C' ' 25' ' ' LEU . 14.6 m-30 -70.62 -48.46 54.97 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.884 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 22' ' ' ARG . . . . . 0.43 ' HG3' ' N ' ' C' ' 23' ' ' SER . 0.7 OUTLIER -57.84 -38.59 75.93 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.756 0.312 . . . . 0.0 110.516 179.547 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' C' C ' 23' ' ' SER . . . . . 0.43 ' N ' ' HG3' ' C' ' 22' ' ' ARG . 37.3 m -62.11 -43.95 97.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.945 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 24' ' ' LYS . . . . . 0.402 ' O ' HG21 ' D' ' 103' ' ' THR . 10.4 ptmt -98.16 9.86 41.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.773 -179.761 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 25' ' ' LEU . . . . . 0.63 ' HB2' ' O ' ' C' ' 21' ' ' TYR . 0.0 OUTLIER -103.89 -66.68 0.94 Allowed 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -179.152 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' C' C ' 26' ' ' SER . . . . . 0.538 ' CB ' ' HB2' ' C' ' 34' ' ' ARG . 0.0 OUTLIER -64.87 -15.31 61.76 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 -178.422 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' C' C ' 27' ' ' GLN . . . . . 0.441 ' OE1' ' NH1' ' C' ' 31' ' ' ARG . 0.4 OUTLIER -76.76 57.88 1.35 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.939 0.399 . . . . 0.0 110.788 -179.682 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' C' C ' 28' ' ' THR . . . . . 0.494 HG22 ' O ' ' C' ' 25' ' ' LEU . 8.5 t -176.03 -57.61 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.64 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 29' ' ' GLU . . . . . 0.479 ' H ' ' CG2' ' C' ' 28' ' ' THR . 11.9 pt-20 -172.34 29.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.982 -0.554 . . . . 0.0 112.113 -178.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 30' ' ' ASP . . . . . 0.446 ' CB ' HD22 ' C' ' 25' ' ' LEU . 0.4 OUTLIER -138.84 44.95 2.03 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.904 0.383 . . . . 0.0 111.405 -179.857 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . 0.461 ' HA ' ' HB2' ' C' ' 26' ' ' SER . 6.6 mmm180 -54.69 -49.29 71.03 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.277 0.56 . . . . 0.0 110.404 179.518 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 24.8 tp60 -55.25 -44.14 75.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.893 179.025 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 33' ' ' LEU . . . . . 0.454 HD12 ' CB ' ' D' ' 95' ' ' SER . 8.8 tp -57.23 -32.69 66.78 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.931 179.258 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 34' ' ' ARG . . . . . 0.538 ' HB2' ' CB ' ' C' ' 26' ' ' SER . 6.3 ttp180 -60.32 -45.57 92.95 Favored 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 178.312 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 15.9 m -54.79 -38.63 67.54 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.873 -1.058 . . . . 0.0 110.035 178.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 36' ' ' SER . . . . . 0.401 ' HB2' ' NE2' ' D' ' 91' ' ' GLN . 24.6 p -67.38 -51.75 48.27 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.278 179.253 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 37' ' ' ILE . . . . . 0.418 ' CG2' ' HB3' ' C' ' 18' ' ' LEU . 27.3 mt -59.49 -32.27 48.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.822 178.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -66.61 -43.96 83.36 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.655 179.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 39' ' ' ARG . . . . . 0.454 ' HB3' ' CB ' ' D' ' 88' ' ' ALA . 8.5 mtt180 -55.9 -52.42 64.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.081 179.544 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . 0.467 ' O ' ' HB2' ' C' ' 44' ' ' PHE . 8.0 t -60.42 -31.2 48.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.448 -0.797 . . . . 0.0 110.252 179.802 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 41' ' ' ILE . . . . . 0.511 ' O ' ' HG2' ' C' ' 45' ' ' GLN . 1.3 mm -70.22 -58.67 4.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.462 179.606 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 53.7 p -57.59 -48.64 78.82 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-O 121.188 0.518 . . . . 0.0 110.447 -179.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 43' ' ' ILE . . . . . 0.445 HD12 HG23 ' C' ' 43' ' ' ILE . 8.6 mt -59.91 -32.01 48.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.127 178.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 44' ' ' PHE . . . . . 0.529 ' HB3' ' CD2' ' C' ' 15' ' ' LEU . 0.2 OUTLIER -71.86 -58.82 3.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.048 179.798 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' C' C ' 45' ' ' GLN . . . . . 0.511 ' HG2' ' O ' ' C' ' 41' ' ' ILE . 6.5 pt20 -69.25 -9.19 51.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.021 -0.536 . . . . 0.0 112.204 -178.422 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 46' ' ' SER . . . . . 0.444 ' OG ' ' CE1' ' D' ' 129' ' ' TYR . 0.2 OUTLIER -52.33 129.39 28.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.833 0.349 . . . . 0.0 110.652 179.758 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -57.43 -37.95 73.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.633 -179.462 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . 0.41 HD23 ' HB ' ' D' ' 132' ' ' ILE . 1.4 tp -67.14 -46.8 72.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.807 0.336 . . . . 0.0 110.096 179.772 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 49' ' ' PHE . . . . . 0.474 ' CE1' HD22 ' D' ' 126' ' ' LEU . 36.8 t80 -51.55 -39.82 58.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.138 179.41 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 50' ' ' GLN . . . . . 0.424 ' CA ' ' OE1' ' C' ' 50' ' ' GLN . 0.0 OUTLIER -64.61 -42.52 95.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.121 179.3 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.89 -44.12 91.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.843 179.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 52' ' ' LEU . . . . . 0.461 ' CD1' ' N ' ' D' ' 129' ' ' TYR . 2.3 mt -61.71 -46.42 89.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.345 179.452 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 53' ' ' ILE . . . . . 0.475 HG22 HD11 ' C' ' 53' ' ' ILE . 43.4 mt -54.84 -34.57 31.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.357 179.346 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -73.21 -32.7 64.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.238 179.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 55' ' ' ILE . . . . . 0.426 HG23 ' CG ' ' C' ' 59' ' ' TYR . 43.4 mt -65.74 -35.22 74.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.775 179.55 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.76 -23.21 6.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.542 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 57' ' ' GLU . . . . . 0.406 ' O ' ' CD2' ' C' ' 58' ' ' PHE . 77.3 mt-10 -46.72 -37.24 8.15 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.657 -179.672 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 58' ' ' PHE . . . . . 0.407 ' CA ' ' HG ' ' A' ' 64' ' ' LEU . 63.3 m-85 -155.44 38.9 0.39 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.792 0.33 . . . . 0.0 111.738 -179.59 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 59' ' ' TYR . . . . . 0.465 ' CD2' ' CD2' ' B' ' 128' ' ' LEU . 50.0 m-85 -141.15 95.1 2.78 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.758 179.639 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -82.98 88.15 6.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.812 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 61' ' ' VAL . . . . . 0.405 HG23 HG22 ' D' ' 124' ' ' THR . 0.0 OUTLIER -72.6 100.71 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.937 0.399 . . . . 0.0 110.998 -179.884 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' C' C ' 62' ' ' THR . . . . . . . . . . . . . 2.6 m -84.78 112.37 20.45 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.633 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 63' ' ' LEU . . . . . 0.436 HD12 ' CZ ' ' A' ' 59' ' ' TYR . 0.1 OUTLIER -83.78 131.81 34.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.678 179.707 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' C' C ' 64' ' ' LEU . . . . . 0.46 ' CD2' ' N ' ' C' ' 64' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.424 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.024 -179.694 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 82' ' ' LEU . . . . . 0.423 ' HB2' ' HB3' ' D' ' 130' ' ' ASP . 8.8 tt . . . . . 0 N--CA 1.447 -0.605 0 CA-C-O 121.459 0.647 . . . . 0.0 109.546 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 83' ' ' LEU . . . . . 0.539 HD22 ' HB3' ' D' ' 84' ' ' ALA . 0.8 OUTLIER -72.42 -38.66 68.32 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-N 114.935 -1.029 . . . . 0.0 110.59 179.898 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' D' D ' 84' ' ' ALA . . . . . 0.841 ' HA ' ' HB2' ' D' ' 87' ' ' ARG . . . -109.45 1.82 20.13 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 115.111 -0.949 . . . . 0.0 112.135 -178.26 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 85' ' ' ALA . . . . . 0.516 ' CB ' ' HB3' ' D' ' 126' ' ' LEU . . . -52.93 -24.85 10.16 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 177.742 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 86' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -118.87 -36.75 3.37 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 114.786 -1.097 . . . . 0.0 109.309 177.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 87' ' ' ARG . . . . . 0.841 ' HB2' ' HA ' ' D' ' 84' ' ' ALA . 1.0 OUTLIER -63.06 -56.55 15.98 Favored 'General case' 0 CA--C 1.521 -0.144 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.368 179.079 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' D' D ' 88' ' ' ALA . . . . . 0.537 ' HA ' ' NE2' ' D' ' 91' ' ' GLN . . . -55.75 -32.49 63.45 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.492 -179.647 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 89' ' ' VAL . . . . . 0.488 ' CG1' ' HB3' ' D' ' 117' ' ' PHE . 68.1 t -68.67 -35.45 70.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.552 178.354 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 1.3 m -75.26 -28.44 59.83 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.78 179.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 91' ' ' GLN . . . . . 0.537 ' NE2' ' HA ' ' D' ' 88' ' ' ALA . 17.7 mt-30 -65.04 -57.22 9.22 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-O 121.31 0.576 . . . . 0.0 109.494 179.199 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 92' ' ' VAL . . . . . . . . . . . . . 11.3 t -65.12 -28.03 43.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.221 179.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 93' ' ' LEU . . . . . 0.595 HD23 ' HA ' ' D' ' 114' ' ' HIS . 2.6 mt -68.17 -32.33 72.51 Favored 'General case' 0 C--O 1.23 0.043 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.371 179.783 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -89.04 -34.56 16.75 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.704 -179.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 95' ' ' SER . . . . . 0.454 ' CB ' HD12 ' C' ' 33' ' ' LEU . 4.2 m -80.09 -20.13 45.84 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.098 0.407 . . . . 0.0 112.098 -179.278 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 96' ' ' LEU . . . . . 0.501 ' O ' ' HB ' ' D' ' 99' ' ' ILE . 0.2 OUTLIER -38.34 -50.56 1.49 Allowed 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -179.3 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 74.4 mt-10 -69.13 -33.23 73.13 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.032 -179.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.64 -34.44 75.73 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 177.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 99' ' ' ILE . . . . . 0.533 HG12 ' HG ' ' C' ' 25' ' ' LEU . 20.6 mt -60.63 -49.27 85.15 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.843 0 CA-C-N 114.453 -1.249 . . . . 0.0 109.94 178.699 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 100' ' ' HIS . . . . . 0.56 ' HB2' ' CD1' ' D' ' 110' ' ' LEU . 12.0 t-160 -54.6 -40.38 68.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 122.137 0.97 . . . . 0.0 108.647 178.17 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 101' ' ' ALA . . . . . . . . . . . . . . . -51.27 -45.89 62.22 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 113.607 -1.633 . . . . 0.0 111.987 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 102' ' ' LEU . . . . . 0.451 HD13 HD21 ' C' ' 25' ' ' LEU . 0.4 OUTLIER -117.3 31.84 6.5 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.744 -0.662 . . . . 0.0 112.747 -177.539 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' D' D ' 103' ' ' THR . . . . . 0.437 HG23 ' O ' ' D' ' 99' ' ' ILE . 31.0 p -150.36 -31.34 0.19 Allowed 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.67 179.465 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 2.6 t70 66.53 28.34 9.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.099 0.476 . . . . 0.0 110.16 -179.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 105' ' ' SER . . . . . 0.417 ' HB2' ' CZ ' ' C' ' 21' ' ' TYR . 1.2 p -48.14 -81.02 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.022 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 106' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 165.56 107.33 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.177 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -48.35 -37.73 17.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.842 0.353 . . . . 0.0 110.88 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.07 -49.0 77.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.091 0.472 . . . . 0.0 109.914 179.246 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 109' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -65.82 -33.36 75.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.884 179.042 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 110' ' ' LEU . . . . . 0.56 ' CD1' ' HB2' ' D' ' 100' ' ' HIS . 99.6 mt -63.36 -43.74 96.78 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.745 -0.662 . . . . 0.0 109.977 179.289 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 111' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.1 -41.23 97.99 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.359 179.62 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 112' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -58.5 -40.95 84.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.22 179.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 113' ' ' LEU . . . . . 0.464 HD22 ' O ' ' C' ' 14' ' ' ALA . 0.5 OUTLIER -73.22 -34.09 65.72 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.61 179.824 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' D' D ' 114' ' ' HIS . . . . . 0.595 ' HA ' HD23 ' D' ' 93' ' ' LEU . 37.7 m170 -57.79 -33.41 68.52 Favored 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 177.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 115' ' ' SER . . . . . 0.415 ' HA ' ' HB2' ' D' ' 118' ' ' GLN . 2.8 m -74.54 -39.62 62.22 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.136 178.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 116' ' ' VAL . . . . . 0.432 ' O ' ' CD2' ' D' ' 122' ' ' LEU . 53.1 t -58.03 -22.99 20.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.232 -0.894 . . . . 0.0 110.003 178.371 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 117' ' ' PHE . . . . . 0.488 ' HB3' ' CG1' ' D' ' 89' ' ' VAL . 32.0 m-85 -106.49 -30.95 8.76 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.583 -179.465 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 118' ' ' GLN . . . . . 0.415 ' HB2' ' HA ' ' D' ' 115' ' ' SER . 0.0 OUTLIER -61.42 -32.88 72.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.359 -179.207 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -47.24 123.17 5.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.379 -179.681 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 120' ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -68.58 -44.43 74.41 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.795 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 121' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -55.74 -33.38 64.22 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.704 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 122' ' ' LEU . . . . . 0.432 ' CD2' ' O ' ' D' ' 116' ' ' VAL . 37.2 tp -55.46 -48.53 74.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.651 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 123' ' ' HIS . . . . . 0.553 ' HA ' ' CD1' ' D' ' 126' ' ' LEU . 0.0 OUTLIER -53.64 -25.16 16.56 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.013 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' D' D ' 124' ' ' THR . . . . . 0.405 HG22 HG23 ' C' ' 61' ' ' VAL . 1.3 m -77.63 -35.28 52.81 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.532 178.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 125' ' ' LEU . . . . . . . . . . . . . 7.9 mt -72.7 -31.58 65.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.665 178.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 126' ' ' LEU . . . . . 0.553 ' CD1' ' HA ' ' D' ' 123' ' ' HIS . 3.9 mt -73.54 -49.99 23.66 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.599 -179.594 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 127' ' ' ASP . . . . . 0.438 ' OD1' ' N ' ' D' ' 128' ' ' LEU . 6.4 p30 -67.84 -33.77 75.41 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.243 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 128' ' ' LEU . . . . . 0.439 HD22 ' CD2' ' A' ' 59' ' ' TYR . 46.6 mt -75.19 -34.16 61.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.07 0.462 . . . . 0.0 110.478 179.715 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 129' ' ' TYR . . . . . 0.461 ' N ' ' CD1' ' C' ' 52' ' ' LEU . 0.2 OUTLIER -62.55 -50.67 70.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.866 -179.571 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' D' D ' 130' ' ' ASP . . . . . 0.423 ' HB3' ' HB2' ' D' ' 82' ' ' LEU . 1.4 t70 -75.27 -27.78 59.53 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.736 -0.386 . . . . 0.0 111.261 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 131' ' ' LYS . . . . . . . . . . . . . 10.4 tttm -58.68 -53.58 56.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.85 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 132' ' ' ILE . . . . . 0.41 ' HB ' HD23 ' C' ' 48' ' ' LEU . 4.0 mt -72.64 -37.44 56.12 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.294 0 CA-C-O 121.079 0.466 . . . . 0.0 110.425 179.623 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 133' ' ' ASN . . . . . . . . . . . . . 39.4 t-20 . . . . . 0 N--CA 1.453 -0.314 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.631 179.953 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.3 -39.64 95.13 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 121.249 0.547 . . . . 0.0 109.725 179.147 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 57.7 mm-40 -76.84 -28.4 55.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.151 179.107 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.19 -29.89 43.14 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.434 179.636 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.5 p -74.12 -43.84 56.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.46 179.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -69.79 -38.31 76.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.22 179.683 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -74.88 -24.47 58.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.101 179.022 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.461 ' O ' HD21 ' B' ' 113' ' ' LEU . . . -78.63 -51.47 9.84 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.796 179.144 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.538 ' CD2' ' HB3' ' A' ' 44' ' ' PHE . 0.4 OUTLIER -64.81 -28.71 69.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.888 179.734 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 55.4 t60 -73.49 -44.54 57.65 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 179.073 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.438 HD22 ' CE1' ' A' ' 21' ' ' TYR . 1.3 mt -61.66 -46.57 89.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.936 179.143 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.433 ' HB3' ' CG2' ' A' ' 37' ' ' ILE . 11.6 mt -59.28 -37.24 77.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.614 179.639 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.41 ' O ' ' CG ' ' A' ' 22' ' ' ARG . 9.6 mt-10 -59.9 -48.2 82.66 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.292 0.568 . . . . 0.0 110.443 179.374 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.63 -31.12 70.92 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.468 178.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.579 ' HA ' ' NZ ' ' A' ' 24' ' ' LYS . 7.2 m-30 -67.16 -49.07 66.05 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.769 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.41 ' CG ' ' O ' ' A' ' 19' ' ' GLU . 6.2 ptm180 -58.9 -32.64 69.71 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 178.506 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.5 p -58.07 -54.7 44.02 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.912 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.579 ' NZ ' ' HA ' ' A' ' 21' ' ' TYR . 0.0 OUTLIER -100.06 6.35 45.01 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.109 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.626 HD23 ' HB2' ' A' ' 30' ' ' ASP . 0.0 OUTLIER -93.35 -58.81 2.19 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.59 0.233 . . . . 0.0 111.214 179.583 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.473 ' HB2' ' HB2' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -69.92 -16.06 63.16 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.027 0.38 . . . . 0.0 112.027 -178.852 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.419 ' OE1' ' NH1' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -75.2 57.99 0.9 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.98 0.419 . . . . 0.0 110.802 -179.907 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.475 ' CG2' ' H ' ' A' ' 29' ' ' GLU . 7.6 t -174.67 -58.49 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.799 -179.66 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.475 ' H ' ' CG2' ' A' ' 28' ' ' THR . 12.0 pt-20 -171.0 29.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.06 -0.518 . . . . 0.0 112.307 -178.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.626 ' HB2' HD23 ' A' ' 25' ' ' LEU . 2.6 m-20 -139.18 43.46 2.04 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.773 0.32 . . . . 0.0 111.53 -179.788 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.419 ' NH1' ' OE1' ' A' ' 27' ' ' GLN . 8.6 mmm180 -54.9 -46.21 74.8 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.289 0.566 . . . . 0.0 110.182 179.383 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -56.76 -46.43 81.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.762 -0.653 . . . . 0.0 109.661 178.756 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.413 HD13 ' CB ' ' B' ' 95' ' ' SER . 5.4 tp -55.96 -30.77 62.22 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.763 178.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.473 ' HB2' ' HB2' ' A' ' 26' ' ' SER . 0.2 OUTLIER -60.67 -49.85 75.86 Favored 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 178.579 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.6 t -54.7 -35.47 63.67 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.797 178.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 m -65.57 -51.67 58.06 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.079 178.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.558 ' O ' HG12 ' A' ' 41' ' ' ILE . 66.4 mt -57.01 -44.03 82.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.756 179.028 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.64 -42.37 71.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.481 -0.782 . . . . 0.0 110.757 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.466 ' HB3' ' CB ' ' B' ' 88' ' ' ALA . 3.5 mtt180 -56.08 -52.63 63.6 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-O 121.269 0.557 . . . . 0.0 109.929 179.109 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.536 ' O ' ' HB2' ' A' ' 44' ' ' PHE . 3.7 t -60.29 -32.83 51.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.256 -0.883 . . . . 0.0 110.644 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.558 HG12 ' O ' ' A' ' 37' ' ' ILE . 4.7 mm -70.94 -53.1 22.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.575 179.793 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.9 p -63.26 -48.45 78.15 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-O 120.946 0.403 . . . . 0.0 110.689 -179.435 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.426 HD12 HG23 ' A' ' 43' ' ' ILE . 7.1 mt -59.71 -33.28 51.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.119 179.215 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.538 ' HB3' ' CD2' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -72.33 -56.17 5.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.945 -0.57 . . . . 0.0 112.121 179.648 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.418 ' NE2' HG22 ' A' ' 41' ' ' ILE . 5.3 pt20 -82.39 4.29 24.64 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 -178.17 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 p -50.39 173.6 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.71 0.29 . . . . 0.0 110.605 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -87.24 -38.16 16.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.849 0.357 . . . . 0.0 111.197 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.473 ' HG ' ' HA ' ' B' ' 129' ' ' TYR . 1.4 tp -79.68 -43.94 21.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.682 -179.574 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.455 ' CE1' HD21 ' B' ' 126' ' ' LEU . 28.4 t80 -50.98 -56.28 13.2 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.609 0.242 . . . . 0.0 111.403 -179.356 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -53.94 -37.29 63.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.812 0.339 . . . . 0.0 110.579 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.87 -47.31 85.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.404 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.402 ' CD1' ' N ' ' B' ' 129' ' ' TYR . 2.3 mt -59.05 -45.65 90.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.305 179.418 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 28.5 mt -56.17 -34.0 38.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.724 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -73.17 -34.76 66.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.316 179.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.434 HG21 ' CG ' ' A' ' 59' ' ' TYR . 90.1 mt -65.67 -41.83 91.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.774 179.732 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -52.26 -23.72 6.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.524 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.403 ' O ' ' CD2' ' A' ' 58' ' ' PHE . 34.1 mt-10 -47.48 -30.04 3.15 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.706 0.289 . . . . 0.0 111.246 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.403 ' CD2' ' O ' ' A' ' 57' ' ' GLU . 61.6 m-85 -157.54 26.91 0.29 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.425 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.434 ' CG ' HG21 ' A' ' 55' ' ' ILE . 26.4 m-85 -135.41 74.51 1.52 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.585 179.612 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -62.55 95.9 0.08 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.828 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -72.83 96.81 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.973 0.416 . . . . 0.0 110.648 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.2 m -77.82 120.28 22.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.809 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.464 ' CD1' ' CE2' ' C' ' 59' ' ' TYR . 0.0 OUTLIER -92.16 126.11 37.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.418 179.494 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.43 ' CD2' ' N ' ' A' ' 64' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.515 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.005 -179.712 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . 0.491 ' HA ' ' CG ' ' B' ' 130' ' ' ASP . 8.8 tt . . . . . 0 N--CA 1.45 -0.443 0 CA-C-O 121.21 0.529 . . . . 0.0 110.044 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . 0.657 ' O ' ' HB3' ' B' ' 87' ' ' ARG . 0.7 OUTLIER -76.19 -40.36 52.57 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.286 -179.489 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . 0.655 ' O ' ' HB1' ' B' ' 88' ' ' ALA . . . -81.98 -20.95 37.47 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.551 -0.75 . . . . 0.0 112.5 -178.23 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 85' ' ' ALA . . . . . 0.464 ' CB ' ' HB3' ' B' ' 126' ' ' LEU . . . -52.31 -23.25 5.5 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.213 -0.595 . . . . 0.0 110.092 179.63 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.12 -38.31 2.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.888 178.581 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 87' ' ' ARG . . . . . 0.657 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 38.8 ttt85 -67.42 -43.02 82.23 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.593 179.397 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . 0.655 ' HB1' ' O ' ' B' ' 84' ' ' ALA . . . -70.05 -40.46 75.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.897 -179.757 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 89' ' ' VAL . . . . . 0.492 ' CG1' ' HB3' ' B' ' 117' ' ' PHE . 39.3 t -70.76 -37.99 71.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.546 179.523 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 13.8 t -76.2 -40.92 51.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.385 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 91' ' ' GLN . . . . . 0.443 ' NE2' ' HA ' ' B' ' 88' ' ' ALA . 6.2 pt20 -66.02 -49.38 67.94 Favored 'General case' 0 CA--C 1.52 -0.196 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 51.3 t -66.29 -27.83 41.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.426 177.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 93' ' ' LEU . . . . . 0.599 HD22 ' HA ' ' B' ' 114' ' ' HIS . 1.7 mt -61.17 -43.53 98.74 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.133 179.451 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -78.13 -27.29 48.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.987 -179.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 95' ' ' SER . . . . . 0.413 ' CB ' HD13 ' A' ' 33' ' ' LEU . 6.8 m -79.63 -24.58 41.81 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.616 -179.612 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . 0.477 ' O ' ' HB ' ' B' ' 99' ' ' ILE . 0.2 OUTLIER -38.84 -52.32 1.74 Allowed 'General case' 0 N--CA 1.464 0.275 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 -179.379 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 97' ' ' GLU . . . . . 0.411 ' HA ' HD11 ' B' ' 110' ' ' LEU . 66.0 mt-10 -68.87 -28.48 66.74 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.174 -179.269 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.08 -36.65 75.08 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.842 -1.17 . . . . 0.0 107.842 177.605 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 99' ' ' ILE . . . . . 0.477 ' HB ' ' O ' ' B' ' 96' ' ' LEU . 38.9 mt -59.09 -47.43 90.1 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.675 0 CA-C-N 114.39 -1.277 . . . . 0.0 109.861 178.264 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 100' ' ' HIS . . . . . 0.497 ' HB2' ' CD1' ' B' ' 110' ' ' LEU . 2.0 t-160 -60.36 -33.87 73.05 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 178.414 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -57.26 -41.64 80.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.599 -1.182 . . . . 0.0 112.041 179.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 102' ' ' LEU . . . . . 0.492 HD13 HD22 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -119.22 30.62 7.03 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -177.244 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 103' ' ' THR . . . . . 0.487 ' CG2' ' HE3' ' A' ' 24' ' ' LYS . 32.4 p -146.37 -36.15 0.26 Allowed 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.896 -0.321 . . . . 0.0 111.387 179.598 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 2.0 t0 73.72 27.34 1.75 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.986 0.422 . . . . 0.0 110.474 -179.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 105' ' ' SER . . . . . 0.407 ' OG ' ' CE1' ' A' ' 21' ' ' TYR . 1.9 m -52.19 -78.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.896 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 168.42 108.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.406 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -48.58 -32.6 8.36 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.726 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 4.7 tptt -67.1 -44.36 80.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.91 179.152 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -65.74 -34.17 77.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.053 179.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 110' ' ' LEU . . . . . 0.497 ' CD1' ' HB2' ' B' ' 100' ' ' HIS . 14.0 mt -63.94 -45.5 88.9 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.223 179.403 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.77 -39.87 90.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.51 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -60.49 -44.64 95.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.7 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 113' ' ' LEU . . . . . 0.461 HD21 ' O ' ' A' ' 14' ' ' ALA . 0.5 OUTLIER -70.58 -31.97 69.18 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.164 -179.639 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 114' ' ' HIS . . . . . 0.599 ' HA ' HD22 ' B' ' 93' ' ' LEU . 0.0 OUTLIER -62.25 -37.95 87.41 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 178.784 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 3.0 m -71.83 -35.78 70.0 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 178.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 116' ' ' VAL . . . . . 0.433 HG11 ' CE1' ' B' ' 117' ' ' PHE . 41.7 t -64.41 -23.12 32.67 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 CA-C-N 115.189 -0.914 . . . . 0.0 109.629 178.001 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 117' ' ' PHE . . . . . 0.492 ' HB3' ' CG1' ' B' ' 89' ' ' VAL . 7.4 m-30 -104.19 -22.54 13.38 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.699 -179.634 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 118' ' ' GLN . . . . . 0.425 ' N ' ' O ' ' B' ' 114' ' ' HIS . 0.0 OUTLIER -77.94 -32.56 51.6 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.695 0.283 . . . . 0.0 111.39 -179.463 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -41.59 118.42 1.07 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.836 -179.258 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 120' ' ' GLN . . . . . 0.455 ' O ' ' CD2' ' B' ' 123' ' ' HIS . 0.0 OUTLIER -59.85 -41.37 91.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.514 179.734 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 31.6 m-70 -55.51 -33.51 63.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.335 179.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 36.8 tp -55.93 -48.99 74.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.062 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 123' ' ' HIS . . . . . 0.455 ' CD2' ' O ' ' B' ' 120' ' ' GLN . 0.1 OUTLIER -56.78 -26.02 56.67 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.928 0.394 . . . . 0.0 110.094 179.515 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 2.7 m -72.89 -37.45 67.27 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 178.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 2.4 mt -72.62 -32.75 66.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.438 178.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . 0.464 ' HB3' ' CB ' ' B' ' 85' ' ' ALA . 10.5 mt -72.22 -48.71 40.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.935 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -62.87 -53.29 56.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.059 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . 0.421 HD22 ' CD2' ' C' ' 59' ' ' TYR . 19.0 mt -61.28 -37.33 82.79 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.748 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 129' ' ' TYR . . . . . 0.473 ' HA ' ' HG ' ' A' ' 48' ' ' LEU . 3.4 t80 -55.92 -51.03 69.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.7 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 130' ' ' ASP . . . . . 0.491 ' CG ' ' HA ' ' B' ' 82' ' ' LEU . 10.2 m-20 -76.09 -33.81 59.51 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.291 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.94 -53.91 49.46 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.064 -179.735 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 132' ' ' ILE . . . . . 0.431 ' HB ' ' CD2' ' A' ' 48' ' ' LEU . 2.3 mt -73.4 -38.76 53.95 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.425 0 CA-C-O 121.048 0.451 . . . . 0.0 110.685 179.644 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 133' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -59.91 -29.53 68.42 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.88 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 85.5 m -89.72 3.5 52.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.323 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 1.8 mmtt 76.55 -0.16 3.09 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.64 -0.254 . . . . 0.0 111.494 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--N 1.328 -0.344 0 CA-C-O 120.815 0.34 . . . . 0.0 110.754 -179.993 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' C' C ' 7' ' ' ARG . . . . . 0.456 ' HA ' ' OD2' ' C' ' 10' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 110.217 -0.29 . . . . 0.0 110.217 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.51 -33.24 74.5 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-O 120.989 0.423 . . . . 0.0 110.148 179.177 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 58.5 mm-40 -77.24 -32.53 55.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.698 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 10' ' ' ASP . . . . . 0.478 ' OD1' ' N ' ' C' ' 11' ' ' THR . 11.1 p30 -80.96 -28.25 35.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.115 0.483 . . . . 0.0 109.877 179.15 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 11' ' ' THR . . . . . 0.478 ' N ' ' OD1' ' C' ' 10' ' ' ASP . 65.1 m -68.93 -47.05 66.7 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.184 179.256 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.45 -46.71 72.27 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-O 120.971 0.415 . . . . 0.0 110.27 179.345 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 16.8 tpp85 -64.24 -24.03 67.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.174 179.187 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 14' ' ' ALA . . . . . 0.501 ' O ' HD22 ' D' ' 113' ' ' LEU . . . -78.19 -55.99 4.82 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 179.094 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 15' ' ' LEU . . . . . 0.626 ' HB3' ' CD2' ' C' ' 44' ' ' PHE . 0.4 OUTLIER -63.84 -28.16 69.67 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.468 178.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' C' C ' 16' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -67.43 -46.66 72.49 Favored 'General case' 0 CA--C 1.517 -0.322 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 178.422 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . 0.431 ' CD1' ' CD1' ' D' ' 113' ' ' LEU . 2.4 mt -63.96 -35.14 79.7 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.183 178.272 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . 0.423 ' CB ' HD12 ' C' ' 41' ' ' ILE . 36.4 mt -63.81 -44.24 93.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.484 179.375 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 19' ' ' GLU . . . . . 0.437 ' N ' HD12 ' C' ' 41' ' ' ILE . 0.2 OUTLIER -60.54 -38.58 84.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.792 -179.745 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -75.76 -34.54 60.26 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.45 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 21' ' ' TYR . . . . . 0.578 ' O ' ' HB2' ' C' ' 25' ' ' LEU . 18.7 m-85 -69.84 -47.67 61.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.563 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 22' ' ' ARG . . . . . 0.406 ' HB2' ' HG3' ' C' ' 34' ' ' ARG . 20.9 ptt85 -58.69 -48.1 82.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.344 179.478 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 40.5 t -54.84 -40.67 69.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.823 179.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 24' ' ' LYS . . . . . . . . . . . . . 8.8 ptmt -96.88 6.26 48.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.606 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 25' ' ' LEU . . . . . 0.592 ' O ' HG21 ' C' ' 28' ' ' THR . 0.2 OUTLIER -91.85 -56.8 2.95 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -179.174 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' C' C ' 26' ' ' SER . . . . . 0.671 ' HB2' ' HD2' ' C' ' 31' ' ' ARG . 80.9 p -63.75 -28.37 69.83 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.181 -0.463 . . . . 0.0 112.179 -178.387 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 27' ' ' GLN . . . . . 0.46 ' OE1' ' OG ' ' C' ' 26' ' ' SER . 0.3 OUTLIER -70.48 56.4 0.17 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.972 0.415 . . . . 0.0 111.57 -178.802 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' C' C ' 28' ' ' THR . . . . . 0.592 HG21 ' O ' ' C' ' 25' ' ' LEU . 9.1 t -177.23 -61.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.511 179.454 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 29' ' ' GLU . . . . . 0.52 ' H ' ' CG2' ' C' ' 28' ' ' THR . 12.8 pt-20 -177.63 28.76 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.565 -179.387 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -136.69 49.55 2.06 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.915 0.388 . . . . 0.0 110.405 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . 0.671 ' HD2' ' HB2' ' C' ' 26' ' ' SER . 14.1 mmm180 -65.59 -47.35 76.05 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.456 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -59.45 -45.75 90.72 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.21 0.529 . . . . 0.0 109.776 178.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 33' ' ' LEU . . . . . 0.448 ' HA ' HD13 ' C' ' 33' ' ' LEU . 13.2 tp -58.61 -32.22 68.79 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.325 179.269 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 34' ' ' ARG . . . . . 0.604 ' HB2' ' HB3' ' C' ' 26' ' ' SER . 9.6 ttt180 -63.39 -38.95 93.11 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.798 -0.815 . . . . 0.0 108.798 178.442 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 21.0 t -59.89 -40.63 89.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.31 178.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 36' ' ' SER . . . . . 0.573 ' HB3' ' NE2' ' D' ' 91' ' ' GLN . 0.1 OUTLIER -64.33 -51.27 64.24 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.103 0.478 . . . . 0.0 110.247 179.38 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' C' C ' 37' ' ' ILE . . . . . 0.694 ' O ' HG12 ' C' ' 41' ' ' ILE . 58.4 mt -57.62 -37.47 58.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.392 0.615 . . . . 0.0 109.736 178.618 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -61.4 -52.24 65.42 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.012 -0.994 . . . . 0.0 112.733 -179.08 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 39' ' ' ARG . . . . . 0.498 ' HG2' ' O ' ' C' ' 36' ' ' SER . 6.9 ptp180 -58.45 -39.54 80.15 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.12 -0.632 . . . . 0.0 110.394 -179.359 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 61.8 t -60.76 -36.15 69.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 121.036 0.446 . . . . 0.0 109.88 178.065 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 41' ' ' ILE . . . . . 0.694 HG12 ' O ' ' C' ' 37' ' ' ILE . 19.3 mm -61.27 -61.62 1.5 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.695 179.788 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 11.7 t -52.62 -46.66 67.12 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-O 121.113 0.482 . . . . 0.0 110.646 -179.21 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 43' ' ' ILE . . . . . 0.455 HG23 ' CE2' ' D' ' 129' ' ' TYR . 5.5 mt -61.06 -34.14 58.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.007 179.061 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 44' ' ' PHE . . . . . 0.626 ' CD2' ' HB3' ' C' ' 15' ' ' LEU . 1.3 m-85 -72.33 -56.52 5.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.931 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 45' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -79.77 0.25 31.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.846 -179.16 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 46' ' ' SER . . . . . 0.419 ' OG ' ' CZ ' ' D' ' 129' ' ' TYR . 0.3 OUTLIER -51.81 139.48 21.59 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.83 0.348 . . . . 0.0 110.995 -179.872 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.03 -37.72 74.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.409 -179.563 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 3.1 tp -79.09 -41.81 27.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.267 -179.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 49' ' ' PHE . . . . . 0.413 ' CE1' ' HB2' ' D' ' 125' ' ' LEU . 75.9 t80 -51.21 -53.66 32.91 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.836 0.351 . . . . 0.0 111.14 -179.735 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -57.6 -37.05 72.59 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.511 179.621 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.71 -42.3 88.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.168 179.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 52' ' ' LEU . . . . . 0.417 ' CD1' ' N ' ' D' ' 129' ' ' TYR . 0.9 OUTLIER -62.28 -43.69 98.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.956 179.058 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' C' C ' 53' ' ' ILE . . . . . 0.423 HD11 HG21 ' C' ' 53' ' ' ILE . 18.7 mt -53.16 -40.86 40.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.499 179.372 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -68.55 -36.38 78.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.339 179.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 55' ' ' ILE . . . . . 0.444 ' CG2' ' HB2' ' C' ' 59' ' ' TYR . 76.1 mt -60.51 -44.1 95.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.632 179.508 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 56' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -53.07 -23.55 7.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.502 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 57' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -47.27 -31.0 3.42 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.431 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 58' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -157.36 24.23 0.3 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.65 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 59' ' ' TYR . . . . . 0.464 ' CE2' ' CD1' ' A' ' 63' ' ' LEU . 16.8 m-85 -134.16 73.83 1.51 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.812 0.339 . . . . 0.0 110.724 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -61.62 98.81 0.1 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.795 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 61' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -72.77 100.14 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.885 0.374 . . . . 0.0 111.057 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 62' ' ' THR . . . . . . . . . . . . . 4.3 m -84.71 117.0 23.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.585 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 63' ' ' LEU . . . . . 0.423 HD13 ' CE2' ' A' ' 59' ' ' TYR . 0.1 OUTLIER -91.82 129.66 37.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' C' C ' 64' ' ' LEU . . . . . 0.471 ' CD2' ' N ' ' C' ' 64' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.011 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 82' ' ' LEU . . . . . 0.483 ' N ' ' CD1' ' D' ' 82' ' ' LEU . 1.1 mp . . . . . 0 CA--C 1.52 -0.186 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 83' ' ' LEU . . . . . 0.664 ' O ' ' HB2' ' D' ' 87' ' ' ARG . 0.7 OUTLIER -59.94 -36.6 77.42 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 114.817 -1.083 . . . . 0.0 110.462 179.398 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' D' D ' 84' ' ' ALA . . . . . 0.734 ' HA ' ' HB2' ' D' ' 87' ' ' ARG . . . -115.31 2.01 13.89 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.303 -0.862 . . . . 0.0 112.653 -177.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 85' ' ' ALA . . . . . 0.405 ' CB ' ' HB2' ' D' ' 126' ' ' LEU . . . -53.17 -26.11 16.07 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 177.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 86' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -118.72 -37.13 3.32 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 114.683 -1.144 . . . . 0.0 109.039 177.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 87' ' ' ARG . . . . . 0.734 ' HB2' ' HA ' ' D' ' 84' ' ' ALA . 0.1 OUTLIER -60.85 -57.1 14.08 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.043 178.896 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' D' D ' 88' ' ' ALA . . . . . 0.545 ' HB3' ' HB2' ' D' ' 84' ' ' ALA . . . -56.58 -42.36 78.52 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.697 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 89' ' ' VAL . . . . . 0.493 HG13 ' CD1' ' D' ' 117' ' ' PHE . 34.2 t -64.11 -32.48 57.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.104 179.065 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 8.5 p -76.45 -26.77 55.78 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.91 179.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 91' ' ' GLN . . . . . 0.63 ' HG3' ' O ' ' D' ' 87' ' ' ARG . 9.0 mt-30 -65.87 -55.02 19.19 Favored 'General case' 0 CA--C 1.513 -0.472 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 179.112 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 92' ' ' VAL . . . . . 0.414 HG22 ' HA ' ' C' ' 37' ' ' ILE . 3.5 t -66.07 -28.46 43.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.036 -0.983 . . . . 0.0 110.239 179.436 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 93' ' ' LEU . . . . . 0.661 HD22 ' HA ' ' D' ' 114' ' ' HIS . 1.2 mt -73.47 -26.78 61.07 Favored 'General case' 0 C--O 1.23 0.077 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.301 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -87.14 -43.55 12.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.858 0.361 . . . . 0.0 110.859 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 8.9 p -80.07 -13.18 59.5 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.899 -179.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 96' ' ' LEU . . . . . 0.443 ' O ' ' HB ' ' D' ' 99' ' ' ILE . 0.2 OUTLIER -40.4 -52.24 2.75 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -179.178 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -68.69 -28.11 66.56 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.126 -179.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.96 -36.16 72.45 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.861 -1.162 . . . . 0.0 107.861 178.118 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 99' ' ' ILE . . . . . 0.443 ' HB ' ' O ' ' D' ' 96' ' ' LEU . 72.4 mt -59.24 -49.21 84.27 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.683 0 CA-C-N 114.6 -1.182 . . . . 0.0 109.646 178.364 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 100' ' ' HIS . . . . . 0.517 ' HB2' ' CD1' ' D' ' 110' ' ' LEU . 1.9 t-160 -57.51 -35.98 70.95 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 178.652 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.69 -43.58 72.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 114.471 -1.24 . . . . 0.0 111.945 179.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 102' ' ' LEU . . . . . 0.456 ' CD1' ' CD2' ' C' ' 25' ' ' LEU . 0.3 OUTLIER -118.18 31.77 6.51 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.673 -0.694 . . . . 0.0 112.628 -177.497 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' D' D ' 103' ' ' THR . . . . . 0.439 ' OG1' ' O ' ' D' ' 99' ' ' ILE . 35.1 p -148.71 -29.16 0.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 4.5 t70 75.84 21.8 1.57 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.171 0.51 . . . . 0.0 110.497 -179.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 105' ' ' SER . . . . . 0.461 ' CB ' ' CE1' ' C' ' 21' ' ' TYR . 37.4 p -56.73 -22.9 38.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.012 179.476 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 106' ' ' SER . . . . . . . . . . . . . 1.1 t 80.35 123.51 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.437 -179.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -51.84 -24.18 5.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.198 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 30.5 mmtm -60.05 -55.31 35.5 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.979 0.418 . . . . 0.0 110.235 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 109' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -63.22 -34.6 78.01 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.774 179.03 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 110' ' ' LEU . . . . . 0.517 ' CD1' ' HB2' ' D' ' 100' ' ' HIS . 46.8 mt -64.98 -42.54 94.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.287 179.296 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 111' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.3 -44.83 92.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.638 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 112' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -58.98 -47.3 85.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.389 179.751 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 113' ' ' LEU . . . . . 0.501 HD22 ' O ' ' C' ' 14' ' ' ALA . 0.5 OUTLIER -69.28 -33.88 73.87 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.179 179.687 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' D' D ' 114' ' ' HIS . . . . . 0.661 ' HA ' HD22 ' D' ' 93' ' ' LEU . 6.6 m-70 -54.99 -40.16 69.81 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 178.703 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 115' ' ' SER . . . . . 0.473 ' HA ' ' HB2' ' D' ' 118' ' ' GLN . 8.4 p -73.48 -36.81 65.86 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.617 178.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 116' ' ' VAL . . . . . 0.433 ' O ' ' CD2' ' D' ' 122' ' ' LEU . 40.9 t -56.43 -24.78 19.33 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.135 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.645 178.586 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 117' ' ' PHE . . . . . 0.493 ' CD1' HG13 ' D' ' 89' ' ' VAL . 50.9 m-85 -105.53 -19.97 13.62 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.106 179.782 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 118' ' ' GLN . . . . . 0.473 ' HB2' ' HA ' ' D' ' 115' ' ' SER . 6.5 mm-40 -62.44 -41.35 98.67 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.944 0.402 . . . . 0.0 110.551 179.619 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -45.32 133.3 7.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.945 -179.091 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 120' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -77.03 -42.24 39.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.259 179.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 121' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -55.73 -33.43 64.23 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.426 179.323 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 122' ' ' LEU . . . . . 0.49 ' CD2' ' HA ' ' D' ' 117' ' ' PHE . 25.0 tp -55.66 -50.05 71.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.047 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 123' ' ' HIS . . . . . 0.487 ' HA ' HD13 ' D' ' 126' ' ' LEU . 0.0 OUTLIER -52.1 -26.74 11.86 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.225 179.026 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' D' D ' 124' ' ' THR . . . . . 0.424 ' N ' ' CD2' ' D' ' 123' ' ' HIS . 7.1 m -75.7 -35.34 60.32 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.734 179.232 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 125' ' ' LEU . . . . . 0.413 ' HB2' ' CE1' ' C' ' 49' ' ' PHE . 16.4 mt -63.36 -45.19 92.3 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.684 179.518 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 126' ' ' LEU . . . . . 0.487 HD13 ' HA ' ' D' ' 123' ' ' HIS . 3.3 mp -67.81 -45.47 74.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.168 -179.71 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 127' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -63.37 -49.0 75.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.214 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 128' ' ' LEU . . . . . 0.421 HD22 ' CD2' ' A' ' 59' ' ' TYR . 76.6 mt -60.92 -46.7 89.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.92 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 129' ' ' TYR . . . . . 0.455 ' CE2' HG23 ' C' ' 43' ' ' ILE . 0.1 OUTLIER -58.39 -50.74 72.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.154 -179.627 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' D' D ' 130' ' ' ASP . . . . . 0.445 ' CB ' HD11 ' D' ' 82' ' ' LEU . 47.3 m-20 -74.04 -17.0 61.03 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.168 -179.754 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 131' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.1 -46.14 36.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.909 0.385 . . . . 0.0 110.473 179.422 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 132' ' ' ILE . . . . . . . . . . . . . 2.8 mt -75.47 -35.34 32.17 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.899 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 133' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 . . . . . 0 C--N 1.326 -0.43 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.543 -179.417 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.196 0 CA-C-O 120.35 0.119 . . . . 0.0 110.698 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -66.19 -35.78 81.34 Favored 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 109.597 -0.519 . . . . 0.0 109.597 179.17 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -74.75 -26.03 59.5 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.629 178.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -83.31 -34.37 25.72 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.328 179.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.4 p -74.28 -36.42 63.8 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.961 179.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.477 ' O ' ' HB2' ' A' ' 16' ' ' HIS . 0.7 OUTLIER -72.86 -46.65 51.72 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.199 179.288 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 -67.82 -23.08 65.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.183 179.207 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.476 ' O ' HD23 ' B' ' 113' ' ' LEU . . . -78.49 -52.16 8.93 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.05 179.315 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.54 ' CD2' ' HB3' ' A' ' 44' ' ' PHE . 0.6 OUTLIER -68.49 -24.67 64.71 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.121 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.477 ' HB2' ' O ' ' A' ' 12' ' ' GLN . 1.9 t-160 -73.31 -50.82 20.07 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 178.139 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.421 HD22 ' CE1' ' A' ' 21' ' ' TYR . 0.9 OUTLIER -55.66 -37.63 68.53 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 121.764 0.792 . . . . 0.0 109.01 178.096 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.483 ' HB3' ' CG2' ' A' ' 37' ' ' ILE . 32.9 mt -61.17 -48.53 81.16 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.474 -1.239 . . . . 0.0 110.798 179.468 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.459 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 0.4 OUTLIER -57.37 -33.65 68.03 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.798 -179.912 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -76.8 -39.51 51.24 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.114 179.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.493 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 13.7 m-30 -64.85 -47.26 78.58 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.76 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.477 ' HB2' ' CG ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -58.94 -51.08 71.56 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.686 179.695 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.403 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 1.6 p -55.46 -32.58 62.9 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.149 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.5 ptmt -102.5 4.9 39.11 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.556 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.493 ' HB2' ' O ' ' A' ' 21' ' ' TYR . 0.6 OUTLIER -93.35 -63.77 1.17 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.022 0.439 . . . . 0.0 112.085 -179.418 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.671 ' HB2' ' HD2' ' A' ' 31' ' ' ARG . 38.0 p -57.49 -18.16 17.34 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.869 -0.605 . . . . 0.0 112.298 -178.488 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.485 ' OE1' ' OG ' ' A' ' 26' ' ' SER . 1.2 mm100 -77.83 49.62 0.79 Allowed 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.782 -0.367 . . . . 0.0 111.661 -179.239 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.48 ' CG2' ' N ' ' A' ' 29' ' ' GLU . 0.9 OUTLIER -176.58 -54.71 0.01 OUTLIER 'General case' 0 CA--C 1.528 0.132 0 N-CA-C 111.687 0.254 . . . . 0.0 111.687 179.288 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.48 ' N ' ' CG2' ' A' ' 28' ' ' THR . 7.6 pt-20 -179.3 27.08 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.772 0.32 . . . . 0.0 111.687 -179.668 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -131.92 47.88 2.48 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.929 0.395 . . . . 0.0 110.748 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.671 ' HD2' ' HB2' ' A' ' 26' ' ' SER . 21.2 mmm180 -64.9 -50.07 67.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.415 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -59.88 -46.98 87.6 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.268 0.556 . . . . 0.0 109.856 178.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.415 ' CD2' ' HB3' ' B' ' 95' ' ' SER . 8.5 tp -55.92 -36.51 67.81 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.452 179.221 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.592 ' HB2' ' HB3' ' A' ' 26' ' ' SER . 10.5 ttt180 -60.35 -42.65 96.19 Favored 'General case' 0 CA--C 1.518 -0.261 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 179.118 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.0 t -59.25 -35.3 73.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.902 178.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.739 ' HB3' ' NE2' ' B' ' 91' ' ' GLN . 38.2 m -66.45 -51.27 58.67 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-O 121.258 0.551 . . . . 0.0 110.428 179.339 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.576 ' O ' HG12 ' A' ' 41' ' ' ILE . 6.1 mt -59.46 -40.89 82.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.91 -0.587 . . . . 0.0 109.593 179.076 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.15 -52.14 66.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 114.987 -1.006 . . . . 0.0 111.86 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.557 ' HG3' ' HB2' ' B' ' 88' ' ' ALA . 3.8 ptp180 -56.74 -38.01 71.81 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 120.36 -0.536 . . . . 0.0 110.326 -179.755 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.413 ' O ' ' HB2' ' A' ' 44' ' ' PHE . 95.6 t -64.43 -31.25 52.78 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 178.357 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.576 HG12 ' O ' ' A' ' 37' ' ' ILE . 30.4 mm -65.49 -61.83 1.52 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.199 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.04 179.496 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.4 p -52.66 -47.04 67.41 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-O 121.038 0.447 . . . . 0.0 110.4 -179.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 24.5 mt -60.59 -32.59 51.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.721 178.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.54 ' HB3' ' CD2' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -72.86 -59.59 2.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.893 179.614 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -80.55 1.1 30.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.937 -178.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -47.54 170.14 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.824 0.345 . . . . 0.0 111.523 -179.619 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -83.15 -36.75 24.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 -179.741 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' B' ' 129' ' ' TYR . 0.3 OUTLIER -76.34 -44.54 36.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.495 179.782 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.426 ' CE1' HD22 ' B' ' 126' ' ' LEU . 11.0 t80 -51.2 -56.57 12.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.514 -179.397 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 90.5 mm-40 -53.21 -40.62 64.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.906 0.384 . . . . 0.0 110.722 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.43 -48.79 80.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.688 179.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.415 ' CD1' ' N ' ' B' ' 129' ' ' TYR . 4.0 mt -60.26 -47.28 86.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.571 179.643 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.456 HG23 HD12 ' A' ' 53' ' ' ILE . 47.7 mt -53.41 -34.94 23.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.49 179.448 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -73.24 -32.42 64.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.271 179.217 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.433 HD11 HG22 ' A' ' 55' ' ' ILE . 58.2 mt -70.33 -43.75 78.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.22 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.4 -20.54 4.7 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.737 -179.558 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.408 ' O ' ' CG ' ' A' ' 58' ' ' PHE . 24.7 pt-20 -43.59 -36.43 2.1 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.775 0.321 . . . . 0.0 111.421 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.408 ' CG ' ' O ' ' A' ' 57' ' ' GLU . 68.0 m-85 -158.09 36.56 0.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.25 -179.786 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.465 ' CE2' ' CD1' ' C' ' 63' ' ' LEU . 15.2 m-85 -132.56 70.09 1.47 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.597 179.791 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -55.51 90.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.975 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -72.84 98.13 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.007 0.432 . . . . 0.0 110.924 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.3 m -78.98 120.09 23.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.611 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.464 ' CD1' ' CE2' ' C' ' 59' ' ' TYR . 0.2 OUTLIER -94.17 125.46 38.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.813 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.445 ' N ' ' CD2' ' A' ' 64' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . 0.443 ' HB2' ' HB3' ' B' ' 130' ' ' ASP . 8.9 tt . . . . . 0 N--CA 1.445 -0.682 0 CA-C-O 121.356 0.598 . . . . 0.0 109.502 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . 0.656 ' O ' ' HB3' ' B' ' 87' ' ' ARG . 0.3 OUTLIER -84.97 -46.15 11.51 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.133 -0.939 . . . . 0.0 110.938 -179.827 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . 0.512 ' H ' ' CD2' ' B' ' 83' ' ' LEU . . . -70.36 -29.23 65.86 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.965 -178.739 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 85' ' ' ALA . . . . . 0.477 ' O ' HD23 ' B' ' 126' ' ' LEU . . . -53.11 -26.61 17.07 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.016 0.436 . . . . 0.0 110.352 179.734 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -118.47 -40.62 2.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.832 178.729 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 87' ' ' ARG . . . . . 0.656 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 26.6 ttt85 -65.55 -50.27 65.81 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.159 179.18 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . 0.728 ' HA ' ' NE2' ' B' ' 91' ' ' GLN . . . -65.92 -34.7 78.72 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.374 -179.517 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 89' ' ' VAL . . . . . 0.513 ' CG1' ' HB3' ' B' ' 117' ' ' PHE . 76.2 t -64.36 -57.19 12.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.187 179.558 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.7 -29.08 70.07 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 178.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 91' ' ' GLN . . . . . 0.739 ' NE2' ' HB3' ' A' ' 36' ' ' SER . 3.6 tt0 -63.54 -47.88 79.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.372 -0.831 . . . . 0.0 108.973 178.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 21.4 t -74.63 -28.58 22.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.04 177.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 93' ' ' LEU . . . . . 0.707 ' CD1' ' HB2' ' B' ' 117' ' ' PHE . 0.7 OUTLIER -65.18 -31.29 72.4 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.703 179.05 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -80.65 -42.49 22.02 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.138 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 95' ' ' SER . . . . . 0.415 ' HB3' ' CD2' ' A' ' 33' ' ' LEU . 1.0 OUTLIER -79.35 -12.51 59.92 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.544 179.842 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . 0.473 ' O ' ' HB ' ' B' ' 99' ' ' ILE . 0.2 OUTLIER -43.99 -52.23 7.17 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.846 0.355 . . . . 0.0 111.879 -179.485 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -65.95 -27.49 68.2 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.018 -179.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.94 -37.11 72.84 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 178.082 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 99' ' ' ILE . . . . . 0.473 ' HB ' ' O ' ' B' ' 96' ' ' LEU . 84.9 mt -58.55 -49.15 83.38 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.66 0 CA-C-N 114.545 -1.207 . . . . 0.0 109.817 178.452 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 100' ' ' HIS . . . . . 0.505 ' HB2' ' CD1' ' B' ' 110' ' ' LEU . 2.1 t-160 -58.01 -35.67 71.57 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 178.563 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -55.37 -42.31 73.77 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.541 -1.208 . . . . 0.0 111.857 179.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 102' ' ' LEU . . . . . 0.437 ' CD1' ' CD2' ' A' ' 25' ' ' LEU . 0.3 OUTLIER -119.59 33.06 5.78 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 -177.473 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 103' ' ' THR . . . . . 0.466 ' OG1' ' O ' ' B' ' 99' ' ' ILE . 40.4 p -151.29 -29.33 0.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 179.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 5.2 t70 75.37 22.65 1.64 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.083 0.468 . . . . 0.0 110.596 -179.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 105' ' ' SER . . . . . 0.437 ' HB3' ' CE1' ' A' ' 21' ' ' TYR . 0.1 OUTLIER -57.28 -20.0 25.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.029 179.464 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 106' ' ' SER . . . . . 0.412 ' CB ' ' O ' ' B' ' 105' ' ' SER . 4.3 t 80.61 121.04 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.71 -179.762 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -49.86 -27.11 4.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.056 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 10.0 tptt -57.45 -54.52 45.95 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.04 0.447 . . . . 0.0 110.264 179.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -63.46 -35.51 80.67 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.808 179.145 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 110' ' ' LEU . . . . . 0.505 ' CD1' ' HB2' ' B' ' 100' ' ' HIS . 53.1 mt -64.18 -40.7 96.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.359 179.354 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -62.21 -42.81 99.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.565 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 112' ' ' PHE . . . . . 0.4 ' CE1' ' CG2' ' B' ' 116' ' ' VAL . 2.6 t80 -59.06 -46.06 89.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.386 179.692 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 113' ' ' LEU . . . . . 0.476 HD23 ' O ' ' A' ' 14' ' ' ALA . 0.5 OUTLIER -72.44 -31.29 65.34 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.3 179.669 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 114' ' ' HIS . . . . . 0.434 ' HA ' HD13 ' B' ' 93' ' ' LEU . 2.1 t-80 -59.64 -36.28 76.07 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 178.138 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 115' ' ' SER . . . . . 0.542 ' HA ' ' HB2' ' B' ' 118' ' ' GLN . 6.9 p -81.11 -39.99 24.77 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.482 178.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 116' ' ' VAL . . . . . 0.424 ' O ' ' CD2' ' B' ' 122' ' ' LEU . 10.2 t -55.95 -24.51 17.38 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 CA-C-O 121.436 0.636 . . . . 0.0 109.43 178.654 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 117' ' ' PHE . . . . . 0.707 ' HB2' ' CD1' ' B' ' 93' ' ' LEU . 7.7 m-30 -98.8 -27.07 14.1 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 114.935 -1.029 . . . . 0.0 111.309 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 118' ' ' GLN . . . . . 0.542 ' HB2' ' HA ' ' B' ' 115' ' ' SER . 0.0 OUTLIER -76.73 -15.71 59.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.924 -178.127 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 -53.6 117.51 3.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.751 0.31 . . . . 0.0 111.101 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 -57.37 -43.58 83.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -60.53 -34.5 74.21 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.8 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . 0.424 ' CD2' ' O ' ' B' ' 116' ' ' VAL . 54.3 tp -56.13 -49.32 74.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.995 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 123' ' ' HIS . . . . . 0.482 ' HA ' ' CD1' ' B' ' 126' ' ' LEU . 11.7 m170 -55.71 -24.7 36.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.873 0.368 . . . . 0.0 110.202 179.379 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 2.4 m -74.94 -38.73 61.67 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 179.006 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . 0.422 ' O ' ' CB ' ' B' ' 129' ' ' TYR . 4.1 mt -68.43 -30.8 69.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.758 178.669 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . 0.482 ' CD1' ' HA ' ' B' ' 123' ' ' HIS . 11.7 mt -73.22 -50.43 22.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.59 -179.447 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.56 -50.63 72.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.989 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . 0.433 HD23 ' CZ ' ' C' ' 59' ' ' TYR . 2.8 mt -70.46 -29.36 65.9 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.494 179.678 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 129' ' ' TYR . . . . . 0.528 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 1.2 t80 -55.47 -53.45 56.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.227 -179.285 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 130' ' ' ASP . . . . . 0.443 ' HB3' ' HB2' ' B' ' 82' ' ' LEU . 0.4 OUTLIER -78.11 -31.41 49.97 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.596 -0.442 . . . . 0.0 111.544 179.768 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 1.4 tttp -54.28 -54.23 42.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.198 -179.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 1.5 mt -78.35 -44.43 26.81 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 CA-C-O 120.948 0.404 . . . . 0.0 110.935 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 133' ' ' ASN . . . . . . . . . . . . . 61.6 t-20 -56.46 -25.94 52.42 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.988 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 85.2 m -86.64 -54.61 4.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.74 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 164.21 -21.68 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.226 179.762 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.332 -0.182 0 CA-C-O 120.793 0.33 . . . . 0.0 110.786 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 7' ' ' ARG . . . . . . . . . . . . . 9.5 ttp-105 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.259 -0.274 . . . . 0.0 110.259 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.66 -41.0 96.92 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 121.149 0.499 . . . . 0.0 109.941 179.302 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -77.26 -30.81 54.58 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.24 179.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -75.7 -29.87 59.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.263 179.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 3.2 p -73.21 -50.24 23.55 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.452 179.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -63.98 -32.97 74.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.172 179.504 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 34.8 ttt180 -75.96 -25.65 56.09 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.145 178.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 14' ' ' ALA . . . . . 0.479 ' O ' HD22 ' D' ' 113' ' ' LEU . . . -78.25 -54.83 5.79 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.523 178.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 15' ' ' LEU . . . . . 0.54 ' HB3' ' CD2' ' C' ' 44' ' ' PHE . 0.4 OUTLIER -60.5 -28.78 68.64 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.787 179.289 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' C' C ' 16' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -73.46 -41.91 62.58 Favored 'General case' 0 CA--C 1.52 -0.186 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 179.023 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . 0.423 HD21 ' CZ ' ' C' ' 21' ' ' TYR . 1.2 mt -62.72 -48.94 77.03 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.319 179.589 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . 0.469 ' HB3' ' CG2' ' C' ' 37' ' ' ILE . 2.3 mt -59.93 -37.01 78.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.468 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.34 -46.28 90.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.009 0.433 . . . . 0.0 110.722 179.628 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.73 -31.27 68.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.199 179.612 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 21' ' ' TYR . . . . . 0.534 ' O ' ' CB ' ' C' ' 25' ' ' LEU . 14.4 m-85 -70.79 -43.92 67.7 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.651 179.38 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 22' ' ' ARG . . . . . 0.43 ' HB2' ' CG2' ' C' ' 37' ' ' ILE . 3.5 ttt180 -54.18 -48.39 71.0 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.374 179.659 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 98.5 p -58.77 -45.47 89.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.011 179.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 24' ' ' LYS . . . . . . . . . . . . . 12.2 ptmt -93.27 12.35 24.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.932 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 25' ' ' LEU . . . . . 0.602 ' CD2' ' C ' ' C' ' 25' ' ' LEU . 0.0 OUTLIER -116.12 -77.24 0.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.834 0.35 . . . . 0.0 111.411 -179.193 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' C' C ' 26' ' ' SER . . . . . 0.462 ' CB ' ' HB2' ' C' ' 34' ' ' ARG . 4.1 m -56.38 -19.32 14.24 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.07 -0.514 . . . . 0.0 112.213 -178.507 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 27' ' ' GLN . . . . . 0.435 ' OE1' ' NH1' ' C' ' 31' ' ' ARG . 0.8 OUTLIER -77.46 57.79 1.6 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.86 0.362 . . . . 0.0 111.366 -179.577 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' C' C ' 28' ' ' THR . . . . . 0.451 ' CG2' ' N ' ' C' ' 29' ' ' GLU . 3.6 t -173.47 -51.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.534 179.604 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 29' ' ' GLU . . . . . 0.451 ' N ' ' CG2' ' C' ' 28' ' ' THR . 19.9 pt-20 -170.79 27.06 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.664 -179.733 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -138.69 46.51 1.99 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.907 0.384 . . . . 0.0 111.128 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . 0.435 ' NH1' ' OE1' ' C' ' 27' ' ' GLN . 26.8 mmm180 -55.49 -45.68 77.01 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.101 0.477 . . . . 0.0 110.301 179.601 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 27.6 tp60 -58.24 -42.81 87.19 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 178.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 33' ' ' LEU . . . . . 0.473 ' HG ' HD12 ' C' ' 25' ' ' LEU . 0.0 OUTLIER -57.62 -31.98 66.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.219 178.385 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' C' C ' 34' ' ' ARG . . . . . 0.462 ' HB2' ' CB ' ' C' ' 26' ' ' SER . 0.0 OUTLIER -60.53 -52.46 65.09 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.879 179.067 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 1.1 t -55.5 -34.22 64.41 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.347 179.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 36' ' ' SER . . . . . 0.43 ' HB3' ' HG3' ' D' ' 91' ' ' GLN . 0.8 OUTLIER -67.69 -51.97 43.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.53 179.447 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' C' C ' 37' ' ' ILE . . . . . 0.582 ' O ' HG12 ' C' ' 41' ' ' ILE . 57.4 mt -60.43 -41.74 88.59 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 179.067 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -54.95 -43.34 73.33 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.234 179.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 39' ' ' ARG . . . . . 0.477 ' CB ' ' HB2' ' D' ' 88' ' ' ALA . 6.5 mtt180 -57.1 -50.9 71.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.807 178.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . 0.604 ' O ' ' HB2' ' C' ' 44' ' ' PHE . 9.8 t -60.48 -30.96 47.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.708 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 41' ' ' ILE . . . . . 0.582 HG12 ' O ' ' C' ' 37' ' ' ILE . 4.9 mm -70.5 -52.98 24.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 C-N-CA 120.964 -0.295 . . . . 0.0 111.283 179.759 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 6.3 p -66.31 -47.78 72.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.827 0.346 . . . . 0.0 111.221 -179.145 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 43' ' ' ILE . . . . . 0.411 ' HA ' ' CE2' ' D' ' 129' ' ' TYR . 9.6 mt -59.87 -34.43 55.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.367 179.681 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 44' ' ' PHE . . . . . 0.604 ' HB2' ' O ' ' C' ' 40' ' ' VAL . 2.9 m-85 -72.94 -54.85 7.59 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.999 179.536 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 45' ' ' GLN . . . . . 0.44 ' HG2' ' O ' ' C' ' 41' ' ' ILE . 3.1 pt20 -79.32 -9.4 59.57 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.67 0.618 . . . . 0.0 112.67 -178.062 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 46' ' ' SER . . . . . 0.411 ' OG ' ' HB2' ' C' ' 49' ' ' PHE . 7.6 p -47.63 133.47 13.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.952 0.406 . . . . 0.0 111.128 -179.551 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -50.56 -26.04 4.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.741 -179.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . 0.584 ' HB3' ' CD1' ' D' ' 129' ' ' TYR . 0.4 OUTLIER -79.61 -46.75 16.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.882 0.373 . . . . 0.0 110.562 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' C' C ' 49' ' ' PHE . . . . . 0.433 ' CE2' HD13 ' C' ' 53' ' ' ILE . 56.8 t80 -50.64 -56.14 13.22 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.347 -179.236 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 78.4 mm-40 -56.07 -38.54 70.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.008 0.433 . . . . 0.0 110.444 179.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.29 -47.12 86.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.513 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 52' ' ' LEU . . . . . 0.425 HD11 ' O ' ' D' ' 125' ' ' LEU . 3.3 mt -61.19 -45.96 92.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.327 179.593 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 53' ' ' ILE . . . . . 0.433 HD13 ' CE2' ' C' ' 49' ' ' PHE . 19.4 mt -54.67 -33.51 27.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.378 179.357 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -72.87 -34.85 66.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.423 179.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 69.8 mt -68.43 -51.41 47.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.894 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 56' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -52.22 -23.52 5.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.38 -179.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 57' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -48.28 -30.68 5.05 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.819 0.342 . . . . 0.0 110.933 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 58' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -152.56 23.53 0.61 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.303 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 59' ' ' TYR . . . . . 0.464 ' CE2' ' CD1' ' A' ' 63' ' ' LEU . 52.3 m-85 -134.0 71.3 1.45 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.457 179.619 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.23 96.88 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.056 -179.658 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 61' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -78.46 97.08 2.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.076 179.761 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 62' ' ' THR . . . . . . . . . . . . . 5.1 m -87.62 118.0 26.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.594 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 63' ' ' LEU . . . . . 0.465 ' CD1' ' CE2' ' A' ' 59' ' ' TYR . 0.1 OUTLIER -91.25 133.91 35.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.832 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' C' C ' 64' ' ' LEU . . . . . 0.496 ' CD2' ' N ' ' C' ' 64' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.531 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 82' ' ' LEU . . . . . . . . . . . . . 7.8 tt . . . . . 0 N--CA 1.449 -0.503 0 CA-C-O 121.325 0.583 . . . . 0.0 109.435 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' D' D ' 83' ' ' LEU . . . . . 0.649 ' O ' ' HB3' ' D' ' 87' ' ' ARG . 0.3 OUTLIER -82.43 -47.6 12.06 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.228 -179.132 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' D' D ' 84' ' ' ALA . . . . . 0.533 ' H ' ' CD2' ' D' ' 83' ' ' LEU . . . -70.92 -26.0 63.01 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.448 -178.707 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 85' ' ' ALA . . . . . 0.501 ' CB ' ' HB3' ' D' ' 126' ' ' LEU . . . -52.85 -25.99 13.28 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.074 0.464 . . . . 0.0 110.143 179.456 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 86' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -122.12 -41.77 2.41 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.866 178.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 87' ' ' ARG . . . . . 0.649 ' HB3' ' O ' ' D' ' 83' ' ' LEU . 21.2 ttt-85 -63.23 -44.9 93.94 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.328 179.272 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 88' ' ' ALA . . . . . 0.507 ' HB1' ' CB ' ' D' ' 84' ' ' ALA . . . -68.74 -41.97 78.24 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.02 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 89' ' ' VAL . . . . . 0.456 ' CG1' ' HB3' ' D' ' 117' ' ' PHE . 41.8 t -68.52 -38.58 79.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.892 179.589 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 6.6 t -76.28 -39.88 53.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.341 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 91' ' ' GLN . . . . . 0.43 ' HG2' ' HA ' ' D' ' 88' ' ' ALA . 5.7 pt20 -67.08 -46.44 74.27 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 92' ' ' VAL . . . . . . . . . . . . . 59.5 t -68.69 -27.83 37.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.438 178.173 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 93' ' ' LEU . . . . . 0.623 HD22 ' HA ' ' D' ' 114' ' ' HIS . 2.5 mt -63.05 -40.42 97.64 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.922 179.376 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -81.11 -27.03 35.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.073 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 24.2 m -79.25 -23.09 43.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.337 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 96' ' ' LEU . . . . . 0.426 HD13 ' HA ' ' D' ' 110' ' ' LEU . 0.6 OUTLIER -40.26 -52.81 2.62 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.9 0.381 . . . . 0.0 111.889 -179.692 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -64.95 -29.0 69.91 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.312 -179.07 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.93 -39.59 72.57 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 177.752 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 99' ' ' ILE . . . . . 0.48 HG12 ' HG ' ' C' ' 25' ' ' LEU . 53.9 mt -60.32 -49.32 84.68 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.814 0 CA-C-N 114.148 -1.387 . . . . 0.0 110.107 178.61 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 100' ' ' HIS . . . . . 0.511 ' HB2' ' CD1' ' D' ' 110' ' ' LEU . 1.7 t-160 -58.32 -33.76 69.85 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 178.535 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 101' ' ' ALA . . . . . . . . . . . . . . . -55.74 -42.91 76.08 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 114.631 -1.168 . . . . 0.0 111.746 179.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 102' ' ' LEU . . . . . 0.505 HD11 HD22 ' C' ' 25' ' ' LEU . 0.3 OUTLIER -117.02 23.07 12.14 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 -177.521 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' D' D ' 103' ' ' THR . . . . . 0.438 HG23 ' O ' ' D' ' 99' ' ' ILE . 36.3 p -144.46 -5.42 0.75 Allowed 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 23.8 t0 53.12 22.51 2.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.995 0.426 . . . . 0.0 110.981 -179.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 105' ' ' SER . . . . . 0.438 ' CB ' ' CE1' ' C' ' 21' ' ' TYR . 58.1 p -56.59 -23.98 44.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.863 179.647 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 106' ' ' SER . . . . . . . . . . . . . 3.6 t 79.37 124.78 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.823 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -53.6 -23.97 12.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.844 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -56.9 -55.05 39.5 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.09 0.471 . . . . 0.0 110.01 179.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 109' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -63.27 -41.17 98.99 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.629 178.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 110' ' ' LEU . . . . . 0.511 ' CD1' ' HB2' ' D' ' 100' ' ' HIS . 88.2 mt -61.02 -34.0 74.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.071 179.106 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 111' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -64.97 -46.42 81.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.591 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 112' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -58.52 -39.44 80.14 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.194 179.627 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 113' ' ' LEU . . . . . 0.479 HD22 ' O ' ' C' ' 14' ' ' ALA . 0.5 OUTLIER -75.13 -36.42 61.6 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.554 179.72 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' D' D ' 114' ' ' HIS . . . . . 0.623 ' HA ' HD22 ' D' ' 93' ' ' LEU . 0.0 OUTLIER -59.42 -28.79 67.25 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 178.769 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' D' D ' 115' ' ' SER . . . . . 0.413 ' N ' ' CD2' ' D' ' 114' ' ' HIS . 0.3 OUTLIER -79.13 -38.44 36.09 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 177.883 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' D' D ' 116' ' ' VAL . . . . . 0.407 ' O ' ' CD2' ' D' ' 122' ' ' LEU . 11.5 t -60.93 -23.34 29.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 115.177 -0.92 . . . . 0.0 109.633 178.072 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 117' ' ' PHE . . . . . 0.456 ' HB3' ' CG1' ' D' ' 89' ' ' VAL . 25.5 m-85 -99.17 -40.37 8.01 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.284 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 118' ' ' GLN . . . . . 0.42 ' OE1' ' ND1' ' D' ' 114' ' ' HIS . 0.0 OUTLIER -59.71 -30.22 68.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.614 -179.14 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -44.17 116.07 0.95 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.661 -179.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 120' ' ' GLN . . . . . 0.454 ' O ' ' CD2' ' D' ' 123' ' ' HIS . 0.7 OUTLIER -59.91 -42.47 93.97 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.538 179.773 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' D' D ' 121' ' ' HIS . . . . . 0.41 ' O ' ' HG ' ' D' ' 125' ' ' LEU . 0.5 OUTLIER -55.42 -33.58 63.68 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.352 179.453 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' D' D ' 122' ' ' LEU . . . . . 0.407 ' CD2' ' O ' ' D' ' 116' ' ' VAL . 36.8 tp -55.69 -47.5 76.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.989 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 123' ' ' HIS . . . . . 0.454 ' CD2' ' O ' ' D' ' 120' ' ' GLN . 0.0 OUTLIER -57.66 -24.47 56.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.999 0.428 . . . . 0.0 110.15 179.39 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' D' D ' 124' ' ' THR . . . . . . . . . . . . . 1.4 m -75.0 -38.03 61.69 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.479 178.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 125' ' ' LEU . . . . . 0.425 ' O ' HD11 ' C' ' 52' ' ' LEU . 1.7 mt -73.18 -28.38 62.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.5 178.314 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 126' ' ' LEU . . . . . 0.501 ' HB3' ' CB ' ' D' ' 85' ' ' ALA . 18.9 mt -73.1 -50.27 23.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.963 -179.724 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 127' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -60.59 -46.55 89.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.287 179.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 128' ' ' LEU . . . . . 0.437 ' CD2' ' CD2' ' A' ' 59' ' ' TYR . 12.9 mt -70.43 -29.88 66.59 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.451 179.53 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 129' ' ' TYR . . . . . 0.584 ' CD1' ' HB3' ' C' ' 48' ' ' LEU . 1.0 OUTLIER -56.74 -51.6 68.24 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.857 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' D' D ' 130' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -76.11 -31.4 58.65 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.66 -0.416 . . . . 0.0 111.367 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 131' ' ' LYS . . . . . . . . . . . . . 4.1 mttp -54.47 -54.09 45.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.793 0.33 . . . . 0.0 110.987 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 132' ' ' ILE . . . . . . . . . . . . . 2.6 mt -76.74 -40.12 32.07 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.648 179.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 133' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 . . . . . 0 C--N 1.327 -0.411 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.903 -179.749 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 20.6 ttm-85 . . . . . 0 N--CA 1.454 -0.245 0 N-CA-C 110.45 -0.204 . . . . 0.0 110.45 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.6 mttt -65.28 -36.93 85.62 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-O 121.2 0.524 . . . . 0.0 109.624 179.013 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -76.82 -29.48 55.97 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.874 178.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.75 -30.89 40.91 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.463 179.658 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.5 p -75.97 -39.94 54.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.396 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -70.27 -37.43 74.87 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.846 -0.428 . . . . 0.0 109.846 179.285 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.54 -27.33 62.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.867 178.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.43 ' O ' HD21 ' B' ' 113' ' ' LEU . . . -78.32 -55.29 5.36 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 178.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.533 ' HB3' ' CD2' ' A' ' 44' ' ' PHE . 0.3 OUTLIER -62.07 -27.27 68.79 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.53 179.088 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -73.56 -46.19 48.89 Favored 'General case' 0 CA--C 1.518 -0.256 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 178.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.438 ' CD2' ' CE1' ' A' ' 21' ' ' TYR . 1.5 mt -61.9 -37.91 86.4 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.316 178.646 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.446 ' CB ' ' CD1' ' A' ' 41' ' ' ILE . 39.0 mt -61.21 -42.35 98.45 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.902 179.714 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -63.11 -43.52 98.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.061 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -71.68 -34.5 69.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.232 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.606 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 11.7 m-30 -69.95 -44.01 70.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.047 179.598 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.436 ' CG ' ' HG2' ' A' ' 34' ' ' ARG . 1.8 ttt-85 -55.42 -51.09 68.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.845 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.0 p -58.57 -43.84 89.55 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.069 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.4 ptmt -85.41 -1.42 57.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.752 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.606 ' HB2' ' O ' ' A' ' 21' ' ' TYR . 0.2 OUTLIER -90.03 -69.26 0.73 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.809 0.338 . . . . 0.0 111.006 -179.752 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.48 ' HB2' ' HB2' ' A' ' 34' ' ' ARG . 36.2 t -62.0 -146.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.826 -179.357 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 50.0 26.11 1.92 Allowed 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 121.066 0.46 . . . . 0.0 110.209 -179.299 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.449 ' CG2' ' N ' ' A' ' 29' ' ' GLU . 12.9 t -149.86 -53.74 0.16 Allowed 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.77 -179.768 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.449 ' N ' ' CG2' ' A' ' 28' ' ' THR . 13.5 pt-20 -179.57 27.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.702 -179.693 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.419 ' CB ' HD21 ' A' ' 25' ' ' LEU . 1.0 OUTLIER -142.92 52.04 1.4 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.961 0.41 . . . . 0.0 111.091 -179.802 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.77 -55.03 30.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.439 0.637 . . . . 0.0 110.297 179.573 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.5 tp60 -52.56 -50.21 63.38 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.791 178.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.412 ' CD2' HD13 ' A' ' 25' ' ' LEU . 8.8 tp -54.8 -31.3 58.82 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.892 178.651 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.48 ' HB2' ' HB2' ' A' ' 26' ' ' SER . 10.5 ttp180 -60.46 -46.65 89.29 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.367 178.795 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.6 m -59.09 -34.79 72.41 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.15 178.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -63.63 -51.84 63.45 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.584 179.691 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.575 ' O ' HG12 ' A' ' 41' ' ' ILE . 33.4 mt -59.37 -41.09 83.25 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.285 0 CA-C-O 121.209 0.528 . . . . 0.0 109.774 179.009 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -58.04 -41.8 84.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.456 179.554 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.436 ' CB ' ' HB2' ' B' ' 88' ' ' ALA . 6.8 mtt180 -55.72 -50.46 70.29 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-O 121.239 0.542 . . . . 0.0 109.631 179.105 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.604 ' O ' ' HB2' ' A' ' 44' ' ' PHE . 8.8 t -60.42 -28.65 42.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.663 179.592 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.575 HG12 ' O ' ' A' ' 37' ' ' ILE . 13.0 mm -70.26 -55.46 14.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.627 179.701 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.2 p -63.79 -47.35 81.25 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-O 120.813 0.34 . . . . 0.0 111.099 -178.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 5.7 mt -59.7 -35.38 59.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.396 179.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.604 ' HB2' ' O ' ' A' ' 40' ' ' VAL . 2.6 m-85 -72.6 -56.2 5.7 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.702 179.609 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.425 ' HG2' ' O ' ' A' ' 41' ' ' ILE . 3.2 pt20 -79.18 -0.04 30.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.962 -178.648 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.23 150.18 2.59 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.834 0.35 . . . . 0.0 111.002 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -66.19 -35.9 81.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.35 -179.554 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.426 ' CD2' ' O ' ' B' ' 129' ' ' TYR . 0.5 OUTLIER -79.7 -43.33 22.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.137 -179.713 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.461 ' CE1' HD21 ' B' ' 126' ' ' LEU . 20.0 t80 -50.6 -56.26 12.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.273 -179.546 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -55.17 -36.32 65.73 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.063 0.459 . . . . 0.0 110.446 179.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.34 -49.2 78.75 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.375 179.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.1 mt -57.71 -46.64 84.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.263 179.366 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 25.9 mt -56.69 -31.26 34.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.551 179.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -73.12 -33.67 65.68 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.071 179.094 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.445 HG21 ' CG ' ' A' ' 59' ' ' TYR . 64.4 mt -67.54 -45.91 84.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.674 179.502 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.22 -25.14 2.08 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.599 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.42 ' O ' ' CD2' ' A' ' 58' ' ' PHE . 11.7 mm-40 -45.58 -34.94 3.64 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.218 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.42 ' CD2' ' O ' ' A' ' 57' ' ' GLU . 62.0 m-85 -155.36 30.69 0.38 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.221 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.445 ' CG ' HG21 ' A' ' 55' ' ' ILE . 35.5 m-85 -136.34 70.41 1.42 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.503 179.509 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.407 ' HB2' ' HB ' ' C' ' 62' ' ' THR . 3.4 mm-40 -58.94 102.92 0.14 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.635 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -81.64 96.72 3.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.82 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.435 ' HB ' ' HB2' ' C' ' 60' ' ' GLU . 20.2 m -74.26 118.96 17.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.243 179.699 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.472 ' CD1' ' CE2' ' C' ' 59' ' ' TYR . 0.0 OUTLIER -93.59 120.91 34.44 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.033 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.513 ' N ' ' CD2' ' A' ' 64' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.402 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.064 179.53 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . 0.416 ' HB2' ' OD2' ' B' ' 130' ' ' ASP . 7.6 tt . . . . . 0 N--CA 1.449 -0.475 0 CA-C-O 121.394 0.616 . . . . 0.0 109.34 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . 0.677 ' O ' ' HB3' ' B' ' 87' ' ' ARG . 0.3 OUTLIER -80.99 -47.21 13.93 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.751 -179.538 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . 0.536 ' H ' ' CD2' ' B' ' 83' ' ' LEU . . . -74.86 -25.56 59.06 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.731 -178.762 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 85' ' ' ALA . . . . . 0.524 ' CB ' ' HB3' ' B' ' 126' ' ' LEU . . . -52.94 -24.27 8.98 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.003 0.43 . . . . 0.0 110.224 179.52 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -123.07 -40.15 2.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.687 178.585 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 87' ' ' ARG . . . . . 0.677 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 28.0 ttt180 -65.21 -48.49 73.17 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.211 179.082 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . 0.534 ' HB1' ' CB ' ' B' ' 84' ' ' ALA . . . -65.02 -40.75 95.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.678 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 89' ' ' VAL . . . . . 0.485 ' CG1' ' HB3' ' B' ' 117' ' ' PHE . 48.9 t -61.5 -36.74 75.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.963 179.089 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 1.6 t -76.05 -23.54 55.11 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.783 179.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 91' ' ' GLN . . . . . 0.455 ' NE2' ' HA ' ' B' ' 88' ' ' ALA . 53.2 mt-30 -68.53 -55.69 10.84 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-O 121.32 0.581 . . . . 0.0 109.525 179.465 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 92' ' ' VAL . . . . . 0.466 HG21 ' HA ' ' A' ' 37' ' ' ILE . 2.9 t -67.8 -28.05 40.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.041 179.355 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 93' ' ' LEU . . . . . 0.623 HD22 ' HA ' ' B' ' 114' ' ' HIS . 2.9 mt -67.46 -34.39 77.09 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.985 179.572 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -86.97 -40.75 14.49 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.033 0.444 . . . . 0.0 111.079 -179.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 95' ' ' SER . . . . . 0.402 ' HB3' ' CD2' ' A' ' 33' ' ' LEU . 1.8 m -79.83 -17.65 52.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.213 -179.42 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . 0.477 ' O ' ' HB ' ' B' ' 99' ' ' ILE . 0.2 OUTLIER -39.0 -52.12 1.8 Allowed 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -179.335 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -67.35 -30.09 69.81 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.486 -179.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.88 -35.74 74.9 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 178.043 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 99' ' ' ILE . . . . . 0.477 ' HB ' ' O ' ' B' ' 96' ' ' LEU . 45.2 mt -61.05 -48.78 87.5 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.843 0 CA-C-N 114.361 -1.29 . . . . 0.0 109.921 178.409 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 100' ' ' HIS . . . . . 0.496 ' HB2' ' CD1' ' B' ' 110' ' ' LEU . 1.9 t-160 -56.78 -35.41 68.67 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 178.267 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.23 -45.81 72.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.434 -1.257 . . . . 0.0 111.719 179.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 102' ' ' LEU . . . . . 0.426 ' CD1' HD23 ' A' ' 25' ' ' LEU . 0.4 OUTLIER -117.24 32.27 6.26 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.46 -0.791 . . . . 0.0 112.493 -177.625 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 103' ' ' THR . . . . . 0.45 ' OG1' ' O ' ' B' ' 99' ' ' ILE . 41.8 p -147.39 -31.55 0.31 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 111.72 0.267 . . . . 0.0 111.72 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 11.8 t70 76.44 23.05 1.18 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.98 0.419 . . . . 0.0 110.576 -179.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 105' ' ' SER . . . . . 0.445 ' HB3' ' CE1' ' A' ' 21' ' ' TYR . 0.3 OUTLIER -59.66 -20.29 55.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.983 179.662 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 106' ' ' SER . . . . . 0.403 ' CB ' ' O ' ' B' ' 105' ' ' SER . 3.9 t 79.89 123.18 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.702 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -51.1 -26.65 6.81 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.095 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.58 -55.08 38.39 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.11 0.481 . . . . 0.0 110.255 179.655 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -64.74 -35.33 80.73 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.837 179.179 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 110' ' ' LEU . . . . . 0.496 ' CD1' ' HB2' ' B' ' 100' ' ' HIS . 31.0 mt -64.15 -36.4 83.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.093 179.282 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -65.6 -44.97 84.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.345 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -58.83 -40.8 85.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.585 179.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 113' ' ' LEU . . . . . 0.43 HD21 ' O ' ' A' ' 14' ' ' ALA . 0.5 OUTLIER -73.79 -32.2 63.64 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.929 -179.784 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 114' ' ' HIS . . . . . 0.623 ' HA ' HD22 ' B' ' 93' ' ' LEU . 35.4 m170 -60.05 -35.33 74.91 Favored 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 177.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 115' ' ' SER . . . . . 0.41 ' HA ' ' HB2' ' B' ' 118' ' ' GLN . 56.8 m -73.35 -38.43 65.73 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.171 178.684 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 116' ' ' VAL . . . . . 0.417 HG13 ' CE1' ' B' ' 117' ' ' PHE . 74.7 t -61.92 -23.2 30.68 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 CA-C-N 115.287 -0.869 . . . . 0.0 109.984 178.377 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 117' ' ' PHE . . . . . 0.485 ' HB3' ' CG1' ' B' ' 89' ' ' VAL . 6.3 m-30 -107.74 -16.0 14.43 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.648 -179.613 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 118' ' ' GLN . . . . . 0.41 ' HB2' ' HA ' ' B' ' 115' ' ' SER . 0.0 OUTLIER -78.01 -35.28 50.1 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 120.772 0.32 . . . . 0.0 111.33 -179.469 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -43.49 134.74 3.91 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.748 -179.295 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -75.16 -40.66 59.4 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.579 179.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -55.78 -33.68 64.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.32 179.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . 0.4 ' CD2' ' O ' ' B' ' 116' ' ' VAL . 50.1 tp -55.92 -47.12 78.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.492 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 123' ' ' HIS . . . . . 0.497 ' HA ' ' CD1' ' B' ' 126' ' ' LEU . 49.0 m-70 -57.74 -25.71 60.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.291 179.319 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 4.1 m -73.32 -39.58 65.16 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 178.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 1.9 mt -68.77 -31.58 70.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.704 178.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . 0.524 ' HB3' ' CB ' ' B' ' 85' ' ' ALA . 11.2 mt -73.22 -51.0 19.34 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.247 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -60.03 -50.62 73.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.031 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . 0.421 HD23 ' CD2' ' C' ' 59' ' ' TYR . 9.2 mt -68.25 -30.01 68.96 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.761 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 129' ' ' TYR . . . . . 0.444 ' O ' ' HB2' ' B' ' 133' ' ' ASN . 8.0 t80 -57.35 -53.01 62.93 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.868 -179.401 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 130' ' ' ASP . . . . . 0.416 ' OD2' ' HB2' ' B' ' 82' ' ' LEU . 2.2 t70 -76.77 -28.44 55.67 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.659 -0.416 . . . . 0.0 111.356 179.579 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 2.2 tptp -54.74 -52.5 62.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.99 -179.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 132' ' ' ILE . . . . . 0.415 ' HB ' ' CD2' ' A' ' 48' ' ' LEU . 1.7 mt -77.26 -41.06 30.14 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.014 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 133' ' ' ASN . . . . . 0.444 ' HB2' ' O ' ' B' ' 129' ' ' TYR . 1.9 t-20 -58.66 -25.89 63.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.704 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 134' ' ' THR . . . . . 0.509 ' O ' ' HG2' ' B' ' 135' ' ' LYS . 90.8 m -84.44 5.91 25.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.458 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 135' ' ' LYS . . . . . 0.509 ' HG2' ' O ' ' B' ' 134' ' ' THR . 0.0 OUTLIER 34.0 36.98 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.179 0.514 . . . . 0.0 111.733 -179.931 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.91 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 7' ' ' ARG . . . . . . . . . . . . . 8.6 ttm-85 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.33 -37.2 84.69 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-O 121.163 0.506 . . . . 0.0 109.78 179.016 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 54.9 mm-40 -75.65 -30.3 59.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.99 179.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -77.48 -31.5 53.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.311 179.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 1.1 p -72.29 -43.98 63.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.671 179.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -69.46 -35.35 75.54 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.27 179.504 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 23.0 ttt-85 -73.67 -25.19 60.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.965 179.059 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 14' ' ' ALA . . . . . 0.498 ' O ' HD23 ' D' ' 113' ' ' LEU . . . -78.37 -55.0 5.58 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 179.02 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 15' ' ' LEU . . . . . 0.589 ' HB3' ' CD2' ' C' ' 44' ' ' PHE . 0.3 OUTLIER -61.39 -26.11 67.63 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.577 179.238 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' C' C ' 16' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -73.4 -43.88 59.58 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 178.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . 0.444 ' CD2' ' CE1' ' C' ' 21' ' ' TYR . 1.3 mt -61.89 -48.43 80.54 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.269 179.407 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . 0.455 ' HB3' ' CG2' ' C' ' 37' ' ' ILE . 6.2 mt -59.02 -37.6 77.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.31 179.704 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 19' ' ' GLU . . . . . 0.418 ' CG ' HG21 ' C' ' 41' ' ' ILE . 3.8 mt-10 -57.69 -47.17 83.11 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.313 0.577 . . . . 0.0 110.368 179.357 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 20' ' ' GLU . . . . . 0.471 ' O ' ' HG3' ' C' ' 24' ' ' LYS . 18.5 mm-40 -71.34 -29.39 64.93 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.063 179.437 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 21' ' ' TYR . . . . . 0.685 ' O ' ' HB2' ' C' ' 25' ' ' LEU . 6.1 m-30 -68.43 -49.42 60.08 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.388 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 22' ' ' ARG . . . . . . . . . . . . . 29.1 ptt85 -57.45 -42.72 83.04 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.893 0.378 . . . . 0.0 110.362 179.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 3.9 m -58.94 -37.36 76.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.841 179.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 24' ' ' LYS . . . . . 0.471 ' HG3' ' O ' ' C' ' 20' ' ' GLU . 0.0 OUTLIER -110.32 17.47 20.85 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.624 -179.861 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' C' C ' 25' ' ' LEU . . . . . 0.685 ' HB2' ' O ' ' C' ' 21' ' ' TYR . 0.1 OUTLIER -105.71 -61.13 1.54 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.188 0.518 . . . . 0.0 110.059 179.61 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' C' C ' 26' ' ' SER . . . . . 0.403 ' OG ' ' HB2' ' C' ' 34' ' ' ARG . 1.2 m -65.04 -152.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.911 -179.635 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 27' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 57.76 23.25 9.34 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-O 120.938 0.399 . . . . 0.0 110.678 -179.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 28' ' ' THR . . . . . 0.498 ' CG2' ' H ' ' C' ' 29' ' ' GLU . 4.8 t -145.02 -59.88 0.35 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.043 -179.422 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 29' ' ' GLU . . . . . 0.498 ' H ' ' CG2' ' C' ' 28' ' ' THR . 17.2 pt-20 -174.69 27.97 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.283 -179.355 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -138.18 48.03 1.98 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.971 0.415 . . . . 0.0 110.922 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 -63.67 -52.31 61.25 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.147 0.499 . . . . 0.0 110.046 179.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.18 -43.91 78.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.637 178.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 33' ' ' LEU . . . . . 0.406 ' CD2' HD13 ' C' ' 25' ' ' LEU . 8.6 tp -56.41 -34.53 66.84 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.864 178.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 34' ' ' ARG . . . . . 0.403 ' HB2' ' OG ' ' C' ' 26' ' ' SER . 1.8 ttp180 -60.47 -46.32 90.52 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.33 178.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.82 -32.91 69.82 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.065 178.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 36' ' ' SER . . . . . 0.422 ' HB3' ' CB ' ' D' ' 91' ' ' GLN . 0.5 OUTLIER -70.05 -51.39 32.41 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.081 179.218 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' C' C ' 37' ' ' ILE . . . . . 0.609 ' O ' HG12 ' C' ' 41' ' ' ILE . 57.6 mt -56.84 -40.79 73.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.524 178.687 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.58 -41.51 94.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.82 179.623 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 39' ' ' ARG . . . . . 0.547 ' HB3' ' HB2' ' D' ' 88' ' ' ALA . 9.4 mtt180 -55.57 -49.62 72.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.142 0.496 . . . . 0.0 109.749 179.404 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . 0.469 ' O ' ' CD1' ' C' ' 44' ' ' PHE . 24.5 t -60.18 -33.44 53.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.591 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 41' ' ' ILE . . . . . 0.609 HG12 ' O ' ' C' ' 37' ' ' ILE . 13.5 mm -70.45 -50.29 46.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.809 0.337 . . . . 0.0 111.117 179.58 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 4.5 t -64.09 -48.4 76.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.728 -179.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 43' ' ' ILE . . . . . 0.45 HD11 HG22 ' C' ' 43' ' ' ILE . 5.1 mt -59.93 -33.53 53.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.143 179.488 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 44' ' ' PHE . . . . . 0.589 ' CD2' ' HB3' ' C' ' 15' ' ' LEU . 3.8 m-85 -72.01 -53.08 14.04 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.023 179.197 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 45' ' ' GLN . . . . . 0.506 ' O ' ' C ' ' C' ' 46' ' ' SER . 30.8 mt-30 -55.17 -54.74 39.43 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.913 -179.643 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 46' ' ' SER . . . . . 0.506 ' C ' ' O ' ' C' ' 45' ' ' GLN . 53.6 p -17.13 118.08 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.322 -179.062 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -49.65 -26.23 3.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.712 -179.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . 0.483 ' HG ' ' HA ' ' D' ' 129' ' ' TYR . 1.7 tp -78.11 -46.8 19.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.678 0.275 . . . . 0.0 110.946 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 49' ' ' PHE . . . . . 0.408 ' CB ' ' OG ' ' C' ' 46' ' ' SER . 56.1 t80 -50.81 -55.56 16.3 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.785 0.326 . . . . 0.0 110.533 -179.809 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.09 -37.74 83.77 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.148 0.499 . . . . 0.0 109.934 178.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.68 -41.49 86.31 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.885 179.089 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.75 -43.06 98.45 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.555 178.717 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 19.9 mt -56.16 -35.39 41.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.406 179.026 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -73.28 -31.9 64.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.457 179.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 55' ' ' ILE . . . . . 0.425 HG22 HD11 ' C' ' 55' ' ' ILE . 85.5 mt -67.52 -48.06 78.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.949 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 56' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -53.23 -22.3 6.59 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.52 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 57' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -45.01 -32.4 1.65 Allowed 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 120.809 0.338 . . . . 0.0 110.968 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 58' ' ' PHE . . . . . 0.414 ' HA ' ' HG ' ' A' ' 64' ' ' LEU . 54.9 m-85 -155.67 23.74 0.39 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.349 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 59' ' ' TYR . . . . . 0.472 ' CE2' ' CD1' ' A' ' 63' ' ' LEU . 16.5 m-85 -134.34 74.23 1.53 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.383 179.687 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 60' ' ' GLU . . . . . 0.435 ' HB2' ' HB ' ' A' ' 62' ' ' THR . 1.2 mt-10 -60.78 98.48 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.847 0.356 . . . . 0.0 110.765 -179.79 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 61' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -72.69 99.04 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.155 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 62' ' ' THR . . . . . 0.407 ' HB ' ' HB2' ' A' ' 60' ' ' GLU . 6.6 m -86.26 117.45 25.08 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.385 179.701 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 63' ' ' LEU . . . . . 0.441 HD13 ' CE2' ' A' ' 59' ' ' TYR . 0.2 OUTLIER -92.12 135.06 34.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.206 -179.765 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' C' C ' 64' ' ' LEU . . . . . 0.524 ' CD2' ' N ' ' C' ' 64' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.713 179.755 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 82' ' ' LEU . . . . . 0.496 ' N ' ' CD1' ' D' ' 82' ' ' LEU . 1.0 OUTLIER . . . . . 0 CA--C 1.521 -0.166 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 83' ' ' LEU . . . . . 0.755 ' O ' ' HB3' ' D' ' 87' ' ' ARG . 0.0 OUTLIER -44.69 -61.11 1.69 Allowed 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 114.922 -1.035 . . . . 0.0 111.255 -179.822 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' D' D ' 84' ' ' ALA . . . . . 0.573 ' H ' ' CD2' ' D' ' 83' ' ' LEU . . . -66.36 -26.91 67.5 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.126 -179.359 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 85' ' ' ALA . . . . . 0.573 ' CB ' ' HB3' ' D' ' 126' ' ' LEU . . . -53.03 -25.24 11.72 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.968 0.413 . . . . 0.0 110.406 179.514 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 86' ' ' GLU . . . . . 0.404 ' OE1' ' CG ' ' D' ' 123' ' ' HIS . 0.2 OUTLIER -127.04 -44.74 1.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.068 178.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' D' D ' 87' ' ' ARG . . . . . 0.755 ' HB3' ' O ' ' D' ' 83' ' ' LEU . 3.4 ttt180 -57.49 -47.38 82.08 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.063 179.096 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 88' ' ' ALA . . . . . 0.547 ' HB2' ' HB3' ' C' ' 39' ' ' ARG . . . -57.55 -48.12 80.18 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.72 179.8 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 89' ' ' VAL . . . . . 0.499 ' CG1' ' HB3' ' D' ' 117' ' ' PHE . 50.0 t -61.46 -51.3 74.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.622 179.415 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 7.8 t -54.93 -26.3 35.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.229 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 91' ' ' GLN . . . . . 0.422 ' CB ' ' HB3' ' C' ' 36' ' ' SER . 48.4 mt-30 -72.32 -56.25 5.8 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-O 121.329 0.585 . . . . 0.0 110.048 179.6 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 92' ' ' VAL . . . . . . . . . . . . . 2.8 t -66.02 -28.21 43.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.494 179.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 93' ' ' LEU . . . . . 0.477 HD22 ' HA ' ' D' ' 114' ' ' HIS . 1.7 mt -73.9 -32.22 63.47 Favored 'General case' 0 C--O 1.23 0.066 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.354 179.672 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -86.12 -40.85 15.25 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.853 0.359 . . . . 0.0 111.044 -179.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.21 -17.3 55.11 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.466 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 96' ' ' LEU . . . . . 0.478 ' O ' ' HB ' ' D' ' 99' ' ' ILE . 0.2 OUTLIER -40.23 -47.14 2.4 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.999 0.428 . . . . 0.0 111.941 -179.755 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -68.36 -34.03 75.34 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.234 -179.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 98' ' ' GLU . . . . . 0.414 ' O ' ' CB ' ' D' ' 101' ' ' ALA . 0.1 OUTLIER -69.18 -35.43 76.25 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 178.139 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' D' D ' 99' ' ' ILE . . . . . 0.478 ' HB ' ' O ' ' D' ' 96' ' ' LEU . 33.9 mt -59.18 -48.27 87.42 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.729 0 CA-C-N 114.462 -1.244 . . . . 0.0 109.81 178.451 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 100' ' ' HIS . . . . . 0.523 ' HB2' ' CD1' ' D' ' 110' ' ' LEU . 1.2 t-160 -58.39 -35.57 72.22 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 178.186 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 101' ' ' ALA . . . . . 0.414 ' CB ' ' O ' ' D' ' 98' ' ' GLU . . . -53.78 -44.06 69.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 114.619 -1.173 . . . . 0.0 111.865 179.361 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 102' ' ' LEU . . . . . 0.411 ' CD1' HD21 ' C' ' 25' ' ' LEU . 0.4 OUTLIER -118.09 32.08 6.34 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.619 -0.719 . . . . 0.0 112.692 -177.521 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' D' D ' 103' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' D' ' 99' ' ' ILE . 43.2 p -148.59 -36.98 0.18 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.73 0.3 . . . . 0.0 111.639 179.744 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 77.21 26.73 0.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.041 0.448 . . . . 0.0 110.338 -179.196 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 105' ' ' SER . . . . . 0.409 ' OG ' ' CZ ' ' C' ' 21' ' ' TYR . 3.5 m -61.34 -16.61 47.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.235 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 106' ' ' SER . . . . . . . . . . . . . 1.3 t 77.56 124.94 0.04 OUTLIER 'General case' 0 N--CA 1.461 0.112 0 CA-C-O 120.954 0.407 . . . . 0.0 110.759 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -52.34 -25.8 10.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.185 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.52 -55.18 38.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.083 0.468 . . . . 0.0 110.306 179.714 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 109' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -63.17 -39.08 93.63 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.813 179.093 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 110' ' ' LEU . . . . . 0.523 ' CD1' ' HB2' ' D' ' 100' ' ' HIS . 31.3 mt -62.94 -36.92 85.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.285 179.393 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 111' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -63.81 -42.63 97.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.442 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 112' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -59.46 -46.65 88.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.392 179.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 113' ' ' LEU . . . . . 0.498 HD23 ' O ' ' C' ' 14' ' ' ALA . 0.5 OUTLIER -69.92 -41.23 74.93 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.655 179.821 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' D' D ' 114' ' ' HIS . . . . . 0.477 ' HA ' HD22 ' D' ' 93' ' ' LEU . 2.3 t60 -56.98 -31.43 65.04 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 178.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 115' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.11 -38.71 51.66 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 177.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 116' ' ' VAL . . . . . 0.422 ' HB ' ' HA ' ' D' ' 113' ' ' LEU . 3.3 t -59.24 -23.66 25.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 115.178 -0.919 . . . . 0.0 109.624 178.074 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 117' ' ' PHE . . . . . 0.499 ' HB3' ' CG1' ' D' ' 89' ' ' VAL . 27.2 m-85 -97.28 -48.92 5.15 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.26 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 118' ' ' GLN . . . . . 0.462 ' NE2' ' CE1' ' D' ' 114' ' ' HIS . 0.0 OUTLIER -49.05 -31.39 7.64 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.345 -179.377 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -46.69 119.06 2.27 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.311 -179.684 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 120' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.63 -37.91 89.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.865 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 121' ' ' HIS . . . . . 0.408 ' O ' ' HG ' ' D' ' 125' ' ' LEU . 13.9 m80 -59.06 -38.5 79.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.788 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 122' ' ' LEU . . . . . 0.448 ' HG ' HD13 ' D' ' 126' ' ' LEU . 60.8 tp -56.52 -47.59 79.01 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.45 179.745 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 123' ' ' HIS . . . . . 0.494 ' HA ' ' CD1' ' D' ' 126' ' ' LEU . 50.1 m170 -53.94 -27.22 29.6 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.084 0.469 . . . . 0.0 110.043 178.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 124' ' ' THR . . . . . . . . . . . . . 1.2 m -74.89 -38.2 61.93 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.491 178.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 125' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' D' ' 121' ' ' HIS . 1.7 mt -73.18 -29.6 62.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.315 178.38 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 126' ' ' LEU . . . . . 0.573 ' HB3' ' CB ' ' D' ' 85' ' ' ALA . 9.5 mt -71.27 -50.36 33.49 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.965 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 127' ' ' ASP . . . . . 0.43 ' O ' ' HB2' ' D' ' 131' ' ' LYS . 21.9 m-20 -67.88 -47.54 68.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.854 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 128' ' ' LEU . . . . . 0.426 HD21 ' CE2' ' A' ' 59' ' ' TYR . 64.4 mt -60.49 -35.24 75.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.638 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 129' ' ' TYR . . . . . 0.483 ' HA ' ' HG ' ' C' ' 48' ' ' LEU . 0.5 OUTLIER -64.01 -50.7 67.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.707 179.931 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' D' D ' 130' ' ' ASP . . . . . 0.42 ' CB ' HD11 ' D' ' 82' ' ' LEU . 23.6 m-20 -75.26 -25.7 58.24 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.502 -179.691 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 131' ' ' LYS . . . . . 0.43 ' HB2' ' O ' ' D' ' 127' ' ' ASP . 1.6 tttp -63.91 -52.13 61.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.733 0.301 . . . . 0.0 110.777 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 132' ' ' ILE . . . . . . . . . . . . . 3.5 mt -71.91 -35.02 53.0 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 CA-C-O 121.017 0.437 . . . . 0.0 110.469 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 133' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 . . . . . 0 C--N 1.327 -0.393 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.877 179.913 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.0 ttm180 . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.6 tttm -64.1 -39.4 93.97 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-O 121.105 0.479 . . . . 0.0 109.814 179.093 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 42.3 mm-40 -77.28 -31.62 54.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.126 179.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -77.1 -29.76 55.02 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.13 179.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.403 ' HA ' ' HE2' ' A' ' 44' ' ' PHE . 5.4 p -72.54 -47.56 47.35 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.365 179.7 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -65.22 -36.8 85.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.179 179.634 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.71 -24.45 59.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.053 179.053 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.47 ' O ' HD23 ' B' ' 113' ' ' LEU . . . -77.8 -54.85 5.86 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.592 179.109 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.572 ' HB3' ' CD2' ' A' ' 44' ' ' PHE . 0.5 OUTLIER -59.63 -29.61 68.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.327 179.498 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -73.12 -44.29 60.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.11 0.481 . . . . 0.0 110.181 179.112 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.457 ' HB3' HD12 ' B' ' 113' ' ' LEU . 1.4 mt -59.6 -48.18 82.66 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.934 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.544 HD13 ' HA ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -62.46 -33.99 75.93 Favored 'General case' 0 CA--C 1.52 -0.199 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.026 179.614 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -57.4 -44.58 84.67 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.237 0.542 . . . . 0.0 110.126 179.456 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -73.04 -32.68 65.24 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.005 179.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.622 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 7.0 m-30 -65.77 -47.07 76.41 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.401 179.72 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.437 ' HG3' ' N ' ' A' ' 23' ' ' SER . 3.9 ptm180 -60.42 -41.81 94.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.386 179.514 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.437 ' N ' ' HG3' ' A' ' 22' ' ' ARG . 38.1 p -59.14 -35.69 73.94 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.264 179.304 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.2 ptmt -101.74 3.27 39.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.446 179.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.622 ' HB2' ' O ' ' A' ' 21' ' ' TYR . 0.4 OUTLIER -91.5 -66.17 0.95 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.055 0.455 . . . . 0.0 111.107 -179.63 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.43 ' HB3' ' HB2' ' A' ' 34' ' ' ARG . 5.7 p -60.92 -159.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.008 -179.322 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.427 ' OE1' ' NH1' ' A' ' 31' ' ' ARG . 1.6 mp0 58.8 29.64 19.0 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.628 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.517 ' CG2' ' H ' ' A' ' 29' ' ' GLU . 4.2 t -151.48 -61.31 0.17 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.175 -179.739 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.517 ' H ' ' CG2' ' A' ' 28' ' ' THR . 26.8 pt-20 -174.43 27.87 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.233 -179.442 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.403 ' HB3' ' HB3' ' A' ' 33' ' ' LEU . 1.8 m-20 -143.05 53.61 1.37 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.583 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.427 ' NH1' ' OE1' ' A' ' 27' ' ' GLN . 11.9 mmm180 -66.41 -52.05 50.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.16 179.679 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -56.65 -47.92 78.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.634 178.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.417 ' CD2' HD13 ' A' ' 25' ' ' LEU . 13.7 tp -54.77 -34.12 62.19 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.897 178.726 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.43 ' HB2' ' HB3' ' A' ' 26' ' ' SER . 11.2 ttp180 -60.61 -43.28 97.63 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.322 178.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.77 -34.27 74.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.2 178.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.413 ' HB2' ' CB ' ' B' ' 91' ' ' GLN . 5.6 p -62.5 -51.66 66.57 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.533 179.513 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.58 ' O ' HG12 ' A' ' 41' ' ' ILE . 5.1 mt -55.19 -45.79 77.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.096 179.098 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.79 -43.01 72.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.983 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.409 ' HD2' ' HA ' ' A' ' 36' ' ' SER . 6.4 mtt180 -55.74 -51.34 67.67 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-O 121.207 0.527 . . . . 0.0 110.104 179.419 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.587 ' O ' ' HB2' ' A' ' 44' ' ' PHE . 11.5 t -60.47 -32.0 50.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.436 179.723 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.58 HG12 ' O ' ' A' ' 37' ' ' ILE . 6.7 mm -70.35 -55.8 13.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.795 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 38.5 t -61.81 -49.24 77.09 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.042 0.448 . . . . 0.0 110.949 -179.006 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.419 HD12 HG22 ' A' ' 43' ' ' ILE . 10.2 mt -59.04 -33.49 50.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.191 179.729 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.587 ' HB2' ' O ' ' A' ' 40' ' ' VAL . 2.0 m-85 -72.47 -56.16 5.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 112.085 179.685 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.488 ' HG2' ' O ' ' A' ' 41' ' ' ILE . 6.1 pt20 -81.09 5.22 17.32 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -178.463 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.7 m -53.99 177.52 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.401 0 CA-C-O 120.748 0.309 . . . . 0.0 110.183 179.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -89.19 -51.41 5.6 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.588 -179.552 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.532 ' HG ' ' HA ' ' B' ' 129' ' ' TYR . 1.8 tp -68.38 -38.49 81.41 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.103 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.437 ' CE1' HD22 ' B' ' 126' ' ' LEU . 59.8 t80 -51.11 -55.92 15.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.7 0.286 . . . . 0.0 111.014 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -59.16 -34.28 71.9 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.007 0.432 . . . . 0.0 109.995 179.179 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.93 -45.01 91.41 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.211 179.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.414 ' CD1' ' N ' ' B' ' 129' ' ' TYR . 1.8 mt -60.74 -44.79 96.22 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.082 179.103 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 9.8 mt -54.22 -35.96 31.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.248 179.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -73.3 -33.97 65.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.307 179.153 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.467 HG21 ' CD2' ' A' ' 59' ' ' TYR . 60.3 mt -66.54 -51.25 59.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.716 179.756 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -51.11 -25.15 4.71 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.344 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -48.24 -32.17 6.84 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.867 0.365 . . . . 0.0 110.907 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -148.77 21.85 1.01 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.121 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.467 ' CD2' HG21 ' A' ' 55' ' ' ILE . 55.5 m-85 -136.21 74.37 1.5 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.567 179.763 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -61.22 94.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.744 0.307 . . . . 0.0 111.045 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.408 ' CG2' HG21 ' B' ' 124' ' ' THR . 0.0 OUTLIER -72.87 104.14 1.96 Allowed 'Isoleucine or valine' 0 CA--C 1.522 -0.129 0 CA-C-O 120.871 0.367 . . . . 0.0 110.796 179.654 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 12.2 m -85.76 109.62 18.77 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.743 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.442 HD11 ' CE2' ' C' ' 59' ' ' TYR . 0.2 OUTLIER -84.29 130.01 34.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.568 179.716 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.472 ' N ' ' CD2' ' A' ' 64' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.346 -179.642 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . 0.407 ' HB2' ' HB3' ' B' ' 130' ' ' ASP . 8.8 tt . . . . . 0 N--CA 1.449 -0.511 0 CA-C-O 121.273 0.559 . . . . 0.0 110.152 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . 0.641 ' O ' ' HB3' ' B' ' 87' ' ' ARG . 0.8 OUTLIER -70.79 -34.71 72.05 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.976 -179.703 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . 0.647 ' HA ' ' HB3' ' B' ' 87' ' ' ARG . . . -95.1 -16.75 22.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.547 -0.751 . . . . 0.0 112.652 -178.061 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 85' ' ' ALA . . . . . 0.477 ' CB ' ' HB3' ' B' ' 126' ' ' LEU . . . -51.96 -24.27 6.23 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.409 -0.516 . . . . 0.0 110.451 -179.76 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -123.03 -37.73 2.69 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.661 -0.699 . . . . 0.0 109.461 178.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 87' ' ' ARG . . . . . 0.647 ' HB3' ' HA ' ' B' ' 84' ' ' ALA . 31.7 ttt85 -65.71 -53.13 45.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.407 179.183 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . 0.636 ' HB1' ' O ' ' B' ' 84' ' ' ALA . . . -60.38 -33.25 72.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.524 179.601 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 89' ' ' VAL . . . . . 0.478 ' CG1' ' HB3' ' B' ' 117' ' ' PHE . 38.7 t -66.81 -40.03 84.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.984 179.085 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 48.2 t -75.72 -21.79 57.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.624 179.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 91' ' ' GLN . . . . . 0.447 ' NE2' ' HA ' ' B' ' 88' ' ' ALA . 62.8 mt-30 -68.28 -56.9 6.99 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-O 121.266 0.555 . . . . 0.0 109.666 179.522 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 92' ' ' VAL . . . . . 0.424 ' CG1' HD21 ' A' ' 18' ' ' LEU . 4.2 t -67.84 -28.02 39.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.308 179.393 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 93' ' ' LEU . . . . . 0.563 ' CD2' ' HA ' ' B' ' 114' ' ' HIS . 0.7 OUTLIER -70.44 -30.07 66.82 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.422 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -87.97 -39.69 14.51 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.867 0.365 . . . . 0.0 111.362 -179.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 1.1 m -79.79 -16.27 55.86 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.892 -179.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . 0.5 ' O ' ' HB ' ' B' ' 99' ' ' ILE . 0.1 OUTLIER -37.85 -51.71 1.3 Allowed 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 -179.25 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -69.08 -31.54 70.36 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.178 -179.008 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.29 -34.53 74.86 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 178.023 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 99' ' ' ILE . . . . . 0.52 HG12 ' CD1' ' A' ' 25' ' ' LEU . 27.2 mt -60.3 -49.07 85.67 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 CA-C-N 114.476 -1.238 . . . . 0.0 109.9 178.484 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 100' ' ' HIS . . . . . 0.567 ' HB2' ' CD1' ' B' ' 110' ' ' LEU . 14.9 t-160 -55.37 -39.14 69.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 122.007 0.908 . . . . 0.0 108.551 178.188 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -51.39 -46.11 62.72 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 113.879 -1.51 . . . . 0.0 112.075 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 102' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -116.99 31.87 6.5 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.781 -177.479 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 103' ' ' THR . . . . . 0.408 HG23 ' O ' ' B' ' 99' ' ' ILE . 33.2 p -149.51 -31.97 0.22 Allowed 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.967 -0.293 . . . . 0.0 111.656 179.471 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 1.1 t70 68.17 27.9 6.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.006 0.431 . . . . 0.0 110.302 -179.363 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.33 -81.98 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.877 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 164.94 108.09 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.153 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -48.78 -36.22 16.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.825 0.345 . . . . 0.0 110.745 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 1.6 mmmt -63.21 -46.95 84.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.822 179.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -66.46 -34.9 78.98 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.926 178.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 110' ' ' LEU . . . . . 0.567 ' CD1' ' HB2' ' B' ' 100' ' ' HIS . 65.3 mt -64.66 -43.15 94.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.908 179.251 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -60.63 -41.57 95.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.504 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -59.03 -47.41 85.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.289 179.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 113' ' ' LEU . . . . . 0.47 HD23 ' O ' ' A' ' 14' ' ' ALA . 0.7 OUTLIER -70.07 -33.2 71.61 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.086 179.597 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 114' ' ' HIS . . . . . 0.643 ' O ' ' HG2' ' B' ' 118' ' ' GLN . 1.0 OUTLIER -56.35 -41.39 76.05 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 178.539 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 115' ' ' SER . . . . . 0.541 ' HA ' ' HG2' ' B' ' 118' ' ' GLN . 27.9 t -76.23 -34.77 59.22 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.946 178.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 116' ' ' VAL . . . . . 0.444 HG13 ' CE1' ' B' ' 117' ' ' PHE . 41.4 t -56.3 -26.1 21.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.524 178.561 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 117' ' ' PHE . . . . . 0.526 ' HD2' ' HG ' ' B' ' 93' ' ' LEU . 8.2 m-30 -103.08 -19.32 14.59 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.83 179.402 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 118' ' ' GLN . . . . . 0.643 ' HG2' ' O ' ' B' ' 114' ' ' HIS . 30.1 mm-40 -62.18 -42.88 99.7 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.064 0.459 . . . . 0.0 110.705 179.335 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -42.4 120.88 1.77 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.873 -179.085 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 5.1 tm0? -67.4 -36.7 81.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.287 179.566 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 49.4 m-70 -59.36 -34.86 72.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.385 179.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 56.2 tp -56.32 -43.87 79.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.027 179.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 123' ' ' HIS . . . . . 0.504 ' HA ' ' CD1' ' B' ' 126' ' ' LEU . 10.9 m170 -58.38 -27.11 63.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.738 178.788 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 124' ' ' THR . . . . . 0.408 HG21 ' CG2' ' A' ' 61' ' ' VAL . 1.3 m -72.89 -36.23 67.3 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 178.808 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 4.0 mt -73.0 -33.51 65.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.414 178.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . 0.504 ' CD1' ' HA ' ' B' ' 123' ' ' HIS . 4.9 mt -72.91 -50.08 25.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.97 179.797 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.89 -51.51 64.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.083 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . 0.437 HD22 ' CD2' ' C' ' 59' ' ' TYR . 70.8 mt -60.83 -36.82 80.07 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.908 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 129' ' ' TYR . . . . . 0.532 ' HA ' ' HG ' ' A' ' 48' ' ' LEU . 1.5 t80 -58.94 -52.72 64.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.048 -179.264 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 130' ' ' ASP . . . . . 0.418 ' OD2' ' CB ' ' B' ' 85' ' ' ALA . 16.6 m-20 -77.06 -30.03 55.41 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.228 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt -56.04 -50.55 70.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.679 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 132' ' ' ILE . . . . . 0.421 ' HB ' ' CD2' ' A' ' 48' ' ' LEU . 2.9 mt -75.87 -39.02 37.5 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.606 179.644 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 133' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -65.2 -30.04 70.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.151 -179.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 85.6 m -96.78 -58.7 1.97 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.913 -179.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 2.1 mmtt -56.5 -60.57 3.34 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.012 -179.528 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.622 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 7' ' ' ARG . . . . . 0.443 ' HA ' ' OD2' ' C' ' 10' ' ' ASP . 1.1 ttm-85 . . . . . 0 N--CA 1.45 -0.438 0 CA-C-O 120.354 0.121 . . . . 0.0 110.692 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 8' ' ' LYS . . . . . 0.456 ' HA ' ' OG1' ' C' ' 11' ' ' THR . 0.0 OUTLIER -73.6 -21.65 60.26 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 178.441 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' C' C ' 9' ' ' GLN . . . . . 0.434 ' NE2' ' HD2' ' C' ' 8' ' ' LYS . 2.0 mp0 -75.0 -43.09 55.85 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.672 178.777 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 10' ' ' ASP . . . . . 0.447 ' OD1' ' N ' ' C' ' 11' ' ' THR . 8.3 p30 -72.83 -28.35 62.49 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.028 179.34 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 11' ' ' THR . . . . . 0.456 ' OG1' ' HA ' ' C' ' 8' ' ' LYS . 42.7 p -68.24 -44.6 75.33 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.661 179.745 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -66.7 -44.94 80.34 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 120.902 0.382 . . . . 0.0 110.603 179.637 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 7.8 ttm-85 -66.21 -25.25 66.83 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.153 179.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 14' ' ' ALA . . . . . 0.425 ' CB ' HD21 ' D' ' 113' ' ' LEU . . . -78.73 -55.3 5.28 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 178.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 15' ' ' LEU . . . . . 0.568 ' HB3' ' CD2' ' C' ' 44' ' ' PHE . 0.3 OUTLIER -62.53 -28.38 69.81 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.606 179.374 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' C' C ' 16' ' ' HIS . . . . . . . . . . . . . 19.5 t-80 -72.96 -45.58 57.18 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 178.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . 0.458 ' CD2' ' CE1' ' C' ' 21' ' ' TYR . 1.8 mt -62.2 -36.98 83.58 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.395 178.703 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . 0.431 ' CD2' ' CG1' ' D' ' 92' ' ' VAL . 43.5 mt -60.45 -50.72 72.46 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.069 -0.969 . . . . 0.0 110.853 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 19' ' ' GLU . . . . . 0.444 ' O ' ' HG3' ' C' ' 22' ' ' ARG . 1.9 tt0 -58.78 -35.07 72.21 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.121 0.486 . . . . 0.0 110.787 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 20' ' ' GLU . . . . . 0.48 ' O ' ' HG3' ' C' ' 24' ' ' LYS . 5.3 mm-40 -75.35 -38.25 60.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.325 179.544 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 21' ' ' TYR . . . . . 0.615 ' O ' ' HB2' ' C' ' 25' ' ' LEU . 14.7 m-30 -67.3 -48.91 66.23 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.678 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 22' ' ' ARG . . . . . 0.444 ' HG3' ' O ' ' C' ' 19' ' ' GLU . 0.0 OUTLIER -57.58 -43.38 84.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.881 0.372 . . . . 0.0 110.36 179.348 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 16.0 p -59.49 -35.37 73.99 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.761 179.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 24' ' ' LYS . . . . . 0.48 ' HG3' ' O ' ' C' ' 20' ' ' GLU . 0.0 OUTLIER -109.34 15.72 22.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.471 -179.933 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' C' C ' 25' ' ' LEU . . . . . 0.615 ' HB2' ' O ' ' C' ' 21' ' ' TYR . 0.0 OUTLIER -105.28 -64.5 1.13 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.12 0.486 . . . . 0.0 110.101 179.585 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' C' C ' 26' ' ' SER . . . . . 0.465 ' OG ' ' CG ' ' C' ' 34' ' ' ARG . 0.9 OUTLIER -59.6 -158.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.06 -179.572 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' C' C ' 27' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 60.39 28.95 18.61 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 120.952 0.406 . . . . 0.0 110.419 -179.696 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 28' ' ' THR . . . . . 0.503 ' CG2' ' H ' ' C' ' 29' ' ' GLU . 3.5 t -150.01 -59.29 0.2 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.717 -179.595 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 29' ' ' GLU . . . . . 0.503 ' H ' ' CG2' ' C' ' 28' ' ' THR . 17.3 pt-20 -175.31 28.12 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.267 -0.878 . . . . 0.0 111.252 -179.492 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -140.72 43.55 1.84 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.057 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.79 -55.11 38.39 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.436 0.636 . . . . 0.0 110.503 179.796 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -52.74 -42.57 65.05 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.636 178.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 33' ' ' LEU . . . . . 0.41 HD12 ' HB2' ' D' ' 95' ' ' SER . 5.1 tp -57.06 -35.44 69.36 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.977 178.801 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 34' ' ' ARG . . . . . 0.465 ' CG ' ' OG ' ' C' ' 26' ' ' SER . 1.4 ttt180 -60.34 -45.16 94.43 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.511 178.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 15.0 m -59.12 -35.06 72.8 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.239 179.15 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 36' ' ' SER . . . . . 0.486 ' O ' ' HG2' ' C' ' 39' ' ' ARG . 0.1 OUTLIER -70.06 -48.68 56.82 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.059 0.457 . . . . 0.0 110.306 179.507 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' C' C ' 37' ' ' ILE . . . . . 0.657 ' O ' HG12 ' C' ' 41' ' ' ILE . 69.0 mt -60.33 -38.35 77.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.856 178.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -64.7 -51.08 64.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.154 -0.93 . . . . 0.0 112.115 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 39' ' ' ARG . . . . . 0.486 ' HG2' ' O ' ' C' ' 36' ' ' SER . 4.3 ptp180 -55.17 -40.26 70.49 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.19 -179.53 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . 0.456 ' CG1' ' CD1' ' C' ' 44' ' ' PHE . 92.4 t -62.21 -40.25 86.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 178.28 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 41' ' ' ILE . . . . . 0.657 HG12 ' O ' ' C' ' 37' ' ' ILE . 11.6 mm -55.38 -57.28 7.95 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.178 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.36 179.438 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 13.8 t -59.96 -47.4 85.96 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.917 0.389 . . . . 0.0 110.713 -179.336 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 43' ' ' ILE . . . . . 0.459 ' O ' ' CG ' ' C' ' 49' ' ' PHE . 18.0 mt -60.34 -34.39 57.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.155 179.306 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 44' ' ' PHE . . . . . 0.568 ' CD2' ' HB3' ' C' ' 15' ' ' LEU . 1.6 m-85 -71.99 -57.19 4.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.511 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 45' ' ' GLN . . . . . 0.414 ' NE2' HG23 ' C' ' 41' ' ' ILE . 4.3 pt20 -80.48 1.61 28.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.576 -179.35 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 46' ' ' SER . . . . . 0.426 ' CB ' ' CE1' ' D' ' 129' ' ' TYR . 0.5 OUTLIER -48.2 148.44 1.83 Allowed 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 121.042 0.449 . . . . 0.0 111.231 -179.696 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -64.07 -40.35 96.06 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.012 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . 0.415 ' HG ' ' HA ' ' D' ' 129' ' ' TYR . 1.0 OUTLIER -79.49 -44.57 21.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.104 -179.859 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' C' C ' 49' ' ' PHE . . . . . 0.459 ' CG ' ' O ' ' C' ' 43' ' ' ILE . 19.2 t80 -51.21 -53.52 34.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.16 -179.602 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -60.42 -40.33 90.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.455 179.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.7 -39.41 84.5 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.314 -0.403 . . . . 0.0 109.992 179.106 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 1.7 mt -61.15 -43.57 98.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.749 178.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 53' ' ' ILE . . . . . 0.413 HG12 HD11 ' D' ' 125' ' ' LEU . 46.8 mt -54.69 -46.77 73.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.367 179.117 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -59.0 -39.57 82.25 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.566 179.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 55' ' ' ILE . . . . . 0.428 ' CG2' ' HB2' ' C' ' 59' ' ' TYR . 64.2 mt -58.14 -43.06 84.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.842 179.724 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.61 -22.9 5.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.818 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 57' ' ' GLU . . . . . 0.4 ' O ' ' CG ' ' C' ' 58' ' ' PHE . 11.7 pt-20 -47.87 -30.96 4.53 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.724 0.297 . . . . 0.0 111.549 -179.686 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 58' ' ' PHE . . . . . 0.4 ' CG ' ' O ' ' C' ' 57' ' ' GLU . 46.0 m-85 -158.13 26.66 0.26 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.704 -179.64 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 59' ' ' TYR . . . . . 0.442 ' CE2' HD11 ' A' ' 63' ' ' LEU . 49.4 m-85 -132.1 71.66 1.48 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.851 0.358 . . . . 0.0 110.802 179.695 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -58.14 95.18 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.753 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 61' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -72.39 97.28 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.965 0.412 . . . . 0.0 110.645 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 62' ' ' THR . . . . . . . . . . . . . 1.3 m -85.6 110.94 19.61 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.085 -179.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 63' ' ' LEU . . . . . 0.44 ' CD1' ' CE1' ' A' ' 59' ' ' TYR . 0.3 OUTLIER -81.55 137.74 35.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.006 179.247 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' C' C ' 64' ' ' LEU . . . . . 0.404 ' CD2' ' N ' ' C' ' 64' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 -179.023 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 82' ' ' LEU . . . . . . . . . . . . . 8.5 tt . . . . . 0 N--CA 1.448 -0.56 0 CA-C-O 121.179 0.514 . . . . 0.0 110.049 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' D' D ' 83' ' ' LEU . . . . . 0.601 ' O ' ' HB3' ' D' ' 87' ' ' ARG . 0.8 OUTLIER -66.03 -38.01 87.34 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.341 179.741 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' D' D ' 84' ' ' ALA . . . . . 0.786 ' O ' ' HB1' ' D' ' 88' ' ' ALA . . . -81.11 -16.87 51.84 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.633 -179.072 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 85' ' ' ALA . . . . . 0.423 ' CB ' ' CB ' ' D' ' 126' ' ' LEU . . . -52.14 -23.14 4.98 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.219 -0.592 . . . . 0.0 109.658 179.057 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 86' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -127.78 -37.51 1.94 Allowed 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.81 178.611 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 87' ' ' ARG . . . . . 0.601 ' HB3' ' O ' ' D' ' 83' ' ' LEU . 35.9 ttt85 -69.51 -35.8 75.84 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.793 179.721 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 88' ' ' ALA . . . . . 0.786 ' HB1' ' O ' ' D' ' 84' ' ' ALA . . . -75.44 -42.75 52.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.918 -179.629 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 89' ' ' VAL . . . . . 0.448 HG12 ' CD1' ' D' ' 117' ' ' PHE . 42.9 t -70.98 -36.49 63.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.16 179.342 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 90' ' ' SER . . . . . 0.422 ' HA ' ' HB2' ' D' ' 93' ' ' LEU . 86.4 p -75.2 -27.42 59.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.475 179.131 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 91' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -65.46 -57.3 8.62 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.683 179.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 92' ' ' VAL . . . . . 0.431 ' CG1' ' CD2' ' C' ' 18' ' ' LEU . 11.7 t -66.03 -27.98 42.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.884 179.029 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 93' ' ' LEU . . . . . 0.643 HD22 ' HA ' ' D' ' 114' ' ' HIS . 3.1 mt -65.39 -32.9 74.77 Favored 'General case' 0 N--CA 1.458 -0.047 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.056 179.665 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.05 -38.0 18.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.764 0.316 . . . . 0.0 111.263 -179.533 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 95' ' ' SER . . . . . 0.41 ' HB2' HD12 ' C' ' 33' ' ' LEU . 0.3 OUTLIER -80.13 -22.42 42.12 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.244 -0.435 . . . . 0.0 112.169 -179.275 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' D' D ' 96' ' ' LEU . . . . . 0.487 ' O ' ' HB ' ' D' ' 99' ' ' ILE . 0.2 OUTLIER -38.32 -52.28 1.52 Allowed 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -179.16 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -67.62 -30.5 70.09 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.204 -179.288 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 98' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.83 -34.59 73.86 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 177.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 99' ' ' ILE . . . . . 0.487 ' HB ' ' O ' ' D' ' 96' ' ' LEU . 37.7 mt -61.51 -49.35 84.78 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.785 0 CA-C-N 114.595 -1.184 . . . . 0.0 109.646 178.452 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 100' ' ' HIS . . . . . 0.519 ' HB2' ' CD1' ' D' ' 110' ' ' LEU . 1.9 t-160 -55.98 -34.84 66.11 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 178.105 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 101' ' ' ALA . . . . . . . . . . . . . . . -55.37 -45.82 76.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.413 -1.267 . . . . 0.0 111.927 179.405 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 102' ' ' LEU . . . . . 0.438 HD13 HD21 ' C' ' 25' ' ' LEU . 0.4 OUTLIER -117.18 28.52 8.45 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.577 -0.738 . . . . 0.0 112.757 -177.452 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' D' D ' 103' ' ' THR . . . . . 0.476 ' HB ' ' CD ' ' C' ' 24' ' ' LYS . 45.0 p -141.49 -35.89 0.45 Allowed 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 121.018 -0.273 . . . . 0.0 111.262 179.646 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 3.6 t0 74.87 27.53 1.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.003 0.43 . . . . 0.0 110.356 -179.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 105' ' ' SER . . . . . 0.434 ' HB3' ' CZ ' ' C' ' 21' ' ' TYR . 13.8 m -65.86 -10.18 35.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.281 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 106' ' ' SER . . . . . 0.42 ' CB ' ' O ' ' D' ' 105' ' ' SER . 3.9 t 81.63 121.7 0.05 OUTLIER 'General case' 0 C--O 1.233 0.196 0 CA-C-O 121.049 0.452 . . . . 0.0 110.996 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -54.03 -23.85 15.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.868 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.5 -54.23 48.01 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.055 0.455 . . . . 0.0 109.878 179.382 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 109' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -59.85 -40.37 88.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.65 178.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 110' ' ' LEU . . . . . 0.519 ' CD1' ' HB2' ' D' ' 100' ' ' HIS . 26.5 mt -59.66 -48.04 83.25 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.008 178.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 111' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -51.51 -44.72 62.66 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.788 179.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 112' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -60.51 -42.71 96.96 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.762 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 113' ' ' LEU . . . . . 0.425 HD21 ' CB ' ' C' ' 14' ' ' ALA . 0.4 OUTLIER -71.93 -37.9 69.95 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.401 -179.517 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' D' D ' 114' ' ' HIS . . . . . 0.643 ' HA ' HD22 ' D' ' 93' ' ' LEU . 98.7 m-70 -58.28 -34.38 70.47 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 178.302 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 115' ' ' SER . . . . . . . . . . . . . 22.5 t -74.75 -37.15 62.56 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 178.366 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 116' ' ' VAL . . . . . 0.414 ' O ' ' CD2' ' D' ' 122' ' ' LEU . 43.0 t -61.87 -26.45 39.94 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 CA-C-N 115.261 -0.881 . . . . 0.0 109.873 178.451 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 117' ' ' PHE . . . . . 0.448 ' CD1' HG12 ' D' ' 89' ' ' VAL . 33.3 m-85 -99.14 -30.45 12.29 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.996 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 118' ' ' GLN . . . . . 0.405 ' NE2' ' CD1' ' D' ' 93' ' ' LEU . 0.0 OUTLIER -65.1 -28.79 69.69 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.377 -179.486 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -43.09 128.89 4.56 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.961 0.41 . . . . 0.0 111.64 -179.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 120' ' ' GLN . . . . . . . . . . . . . 9.1 tp60 -69.91 -49.02 56.15 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.699 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 121' ' ' HIS . . . . . . . . . . . . . 54.2 m80 -55.87 -34.1 65.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.432 179.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 122' ' ' LEU . . . . . 0.486 ' HA ' HD12 ' D' ' 125' ' ' LEU . 52.6 tp -55.98 -49.28 74.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.139 179.56 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 123' ' ' HIS . . . . . 0.676 ' HA ' ' CD1' ' D' ' 126' ' ' LEU . 11.0 m-70 -53.01 -26.94 17.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.227 179.096 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 124' ' ' THR . . . . . 0.401 HG23 ' CD1' ' D' ' 128' ' ' LEU . 6.5 m -75.98 -33.83 59.76 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.881 179.239 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 125' ' ' LEU . . . . . 0.486 HD12 ' HA ' ' D' ' 122' ' ' LEU . 16.2 mt -65.37 -44.71 86.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.275 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 126' ' ' LEU . . . . . 0.676 ' CD1' ' HA ' ' D' ' 123' ' ' HIS . 0.2 OUTLIER -71.59 -39.48 70.51 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.694 0.283 . . . . 0.0 110.961 -179.737 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' D' D ' 127' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -59.84 -53.12 61.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.082 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 128' ' ' LEU . . . . . 0.416 HD22 ' CD1' ' A' ' 59' ' ' TYR . 4.7 mt -70.81 -33.15 70.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.835 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 129' ' ' TYR . . . . . 0.426 ' CE1' ' CB ' ' C' ' 46' ' ' SER . 2.2 t80 -55.99 -51.83 66.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.045 0.45 . . . . 0.0 110.688 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 130' ' ' ASP . . . . . 0.408 ' OD1' ' CE2' ' D' ' 129' ' ' TYR . 39.9 m-20 -76.86 -29.88 56.05 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.149 179.571 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 131' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.41 -48.61 81.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.909 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 132' ' ' ILE . . . . . . . . . . . . . 2.9 mt -74.98 -39.5 44.55 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 CA-C-O 121.024 0.44 . . . . 0.0 110.616 179.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 133' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 . . . . . 0 N--CA 1.452 -0.328 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.957 -179.92 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.408 0 CA-C-O 120.631 0.253 . . . . 0.0 110.322 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.6 tttm -63.73 -39.17 93.63 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 179.059 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 53.6 mm-40 -74.49 -28.94 61.23 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.926 178.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -79.79 -30.05 40.51 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.473 179.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.5 p -73.03 -40.4 65.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.52 179.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -71.06 -43.14 68.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.246 179.517 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.5 tpm_? -71.2 -24.01 62.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.99 179.121 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.439 ' O ' HD22 ' B' ' 113' ' ' LEU . . . -78.62 -53.65 6.95 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.64 179.049 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.531 ' CD2' ' HB3' ' A' ' 44' ' ' PHE . 0.4 OUTLIER -63.24 -28.73 70.23 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.858 179.637 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -73.87 -44.26 55.99 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-O 121.067 0.461 . . . . 0.0 110.087 179.151 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.435 HD21 ' CE1' ' A' ' 21' ' ' TYR . 1.4 mt -61.5 -49.44 76.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.69 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.498 HD12 ' HA ' ' A' ' 15' ' ' LEU . 1.2 mt -61.94 -35.7 79.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.454 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.02 -43.75 86.91 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.248 0.547 . . . . 0.0 110.063 179.197 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -73.37 -33.22 64.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.847 179.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.714 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 6.8 m-30 -64.29 -48.29 76.26 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.389 179.698 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.418 ' HG3' ' N ' ' A' ' 23' ' ' SER . 3.8 ptm180 -59.3 -44.03 92.57 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.779 0.323 . . . . 0.0 110.403 179.533 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.418 ' N ' ' HG3' ' A' ' 22' ' ' ARG . 26.8 m -57.91 -32.86 68.15 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.362 179.279 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.59 13.89 21.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.177 179.721 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.714 ' HB2' ' O ' ' A' ' 21' ' ' TYR . 0.2 OUTLIER -100.18 -64.1 1.07 Allowed 'General case' 0 CA--C 1.52 -0.201 0 CA-C-O 121.082 0.468 . . . . 0.0 110.367 179.699 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.425 ' HB2' ' HB2' ' A' ' 34' ' ' ARG . 35.6 t -64.91 -148.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.387 -179.742 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.41 ' OE1' ' NH1' ' A' ' 31' ' ' ARG . 1.0 OUTLIER 54.79 24.88 6.04 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 121.159 0.504 . . . . 0.0 110.399 -179.548 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.461 ' CG2' ' H ' ' A' ' 29' ' ' GLU . 6.2 t -149.01 -55.36 0.19 Allowed 'General case' 0 CA--C 1.516 -0.329 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.516 -179.218 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.461 ' H ' ' CG2' ' A' ' 28' ' ' THR . 16.6 pt-20 -176.59 28.03 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.398 -179.484 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.441 ' HB3' ' HB3' ' A' ' 33' ' ' LEU . 0.1 OUTLIER -138.73 53.69 1.77 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.901 0.381 . . . . 0.0 110.713 -179.778 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.41 ' NH1' ' OE1' ' A' ' 27' ' ' GLN . 15.9 mmm180 -66.31 -53.39 37.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.15 0.5 . . . . 0.0 110.03 179.694 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 20.5 tp60 -59.98 -47.42 85.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.518 178.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.441 ' HB3' ' HB3' ' A' ' 30' ' ' ASP . 13.7 tp -55.27 -33.58 63.33 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.121 178.803 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.425 ' HB2' ' HB2' ' A' ' 26' ' ' SER . 6.4 ttp180 -60.38 -48.96 79.49 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.285 179.033 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.4 m -57.96 -31.56 66.99 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.256 178.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.461 ' HB2' ' HB3' ' B' ' 91' ' ' GLN . 1.1 p -65.89 -51.52 57.99 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.093 0.473 . . . . 0.0 110.547 179.536 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.57 ' O ' HG12 ' A' ' 41' ' ' ILE . 6.2 mt -55.31 -42.94 69.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.263 0.554 . . . . 0.0 109.552 178.815 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -55.45 -43.68 75.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.986 -1.006 . . . . 0.0 110.835 179.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.433 ' HD2' ' HA ' ' A' ' 36' ' ' SER . 13.3 mtt180 -55.57 -50.39 70.2 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-O 121.309 0.576 . . . . 0.0 109.924 179.382 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.524 HG12 ' CZ ' ' B' ' 117' ' ' PHE . 86.6 t -59.93 -34.17 55.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.478 179.707 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.57 HG12 ' O ' ' A' ' 37' ' ' ILE . 6.7 mm -70.24 -54.61 17.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.55 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 26.2 t -62.45 -47.96 81.75 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-O 120.849 0.357 . . . . 0.0 110.947 -179.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.492 HD11 HG22 ' A' ' 43' ' ' ILE . 8.7 mt -59.83 -32.92 50.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.206 179.502 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.531 ' HB3' ' CD2' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -71.95 -56.7 5.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.056 -0.52 . . . . 0.0 112.141 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.474 ' HG2' ' O ' ' A' ' 41' ' ' ILE . 5.8 pt20 -78.16 -0.65 29.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 112.002 -178.495 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.415 ' OG ' ' CE1' ' B' ' 129' ' ' TYR . 0.2 OUTLIER -51.62 130.96 29.36 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.824 0.345 . . . . 0.0 110.822 179.898 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -50.44 -34.55 25.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.569 -179.472 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.438 ' HG ' ' HA ' ' B' ' 129' ' ' TYR . 1.7 tp -79.25 -43.55 23.52 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.261 -179.74 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.415 ' CE2' HD12 ' A' ' 53' ' ' ILE . 28.8 t80 -51.17 -54.61 23.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.691 0.281 . . . . 0.0 111.285 -179.597 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -54.09 -38.91 65.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.949 0.404 . . . . 0.0 110.712 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.94 -46.84 87.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.644 179.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.4 mt -60.32 -45.97 91.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.39 179.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.449 HD13 HG22 ' A' ' 53' ' ' ILE . 50.1 mt -54.45 -36.44 34.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.662 179.483 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.16 -36.1 74.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.255 179.344 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.413 HD11 HG22 ' A' ' 55' ' ' ILE . 99.7 mt -63.38 -43.42 98.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.722 179.597 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -52.53 -22.18 4.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.49 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.421 ' O ' ' CD1' ' A' ' 58' ' ' PHE . 36.2 mt-10 -45.08 -34.57 2.64 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.394 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.421 ' CD1' ' O ' ' A' ' 57' ' ' GLU . 27.7 m-85 -157.58 25.5 0.28 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.622 -179.715 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.468 ' CE2' ' CD1' ' C' ' 63' ' ' LEU . 11.6 m-85 -129.93 70.44 1.43 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.703 179.601 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.412 ' HB2' ' HB ' ' C' ' 62' ' ' THR . 1.5 mt-10 -58.58 94.48 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.837 0.351 . . . . 0.0 111.043 -179.769 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -72.94 104.51 2.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.117 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.8 m -87.01 120.56 28.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.483 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.442 ' CD1' ' CE2' ' C' ' 59' ' ' TYR . 0.1 OUTLIER -91.41 129.64 37.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 179.897 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.44 ' CD2' ' N ' ' A' ' 64' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.36 -179.716 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 9.3 tt . . . . . 0 N--CA 1.448 -0.568 0 CA-C-O 121.242 0.544 . . . . 0.0 110.195 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . 0.606 ' O ' ' HB3' ' B' ' 87' ' ' ARG . 0.7 OUTLIER -67.96 -39.18 83.42 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.959 -179.768 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . 0.558 ' O ' ' HB2' ' B' ' 88' ' ' ALA . . . -75.47 -21.51 58.03 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.454 -178.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 85' ' ' ALA . . . . . 0.444 ' HB2' ' HB3' ' B' ' 126' ' ' LEU . . . -52.55 -24.61 8.52 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.134 0.492 . . . . 0.0 110.207 179.44 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -124.8 -42.39 2.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.544 178.697 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 87' ' ' ARG . . . . . 0.606 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 33.6 ttt85 -61.05 -46.63 89.93 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.195 178.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . 0.558 ' HB2' ' O ' ' B' ' 84' ' ' ALA . . . -69.02 -46.06 68.94 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.843 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 89' ' ' VAL . . . . . 0.443 HG11 ' CD1' ' B' ' 117' ' ' PHE . 60.7 t -56.83 -50.34 75.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.519 179.416 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 15.6 t -70.93 -21.15 62.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.683 179.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 91' ' ' GLN . . . . . 0.461 ' HB3' ' HB2' ' A' ' 36' ' ' SER . 0.3 OUTLIER -67.51 -57.68 6.08 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-O 121.389 0.614 . . . . 0.0 110.073 179.744 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 92' ' ' VAL . . . . . 0.418 HG22 ' HA ' ' A' ' 37' ' ' ILE . 4.9 t -68.59 -27.97 38.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.157 179.33 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 93' ' ' LEU . . . . . 0.653 HD21 ' HA ' ' B' ' 114' ' ' HIS . 0.7 OUTLIER -70.88 -28.5 64.61 Favored 'General case' 0 C--O 1.231 0.096 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 179.411 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -88.08 -37.04 16.58 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.822 0.344 . . . . 0.0 111.465 -179.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 2.3 m -79.84 -16.76 54.81 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.233 -0.439 . . . . 0.0 112.0 -179.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . 0.558 HD21 ' CD2' ' B' ' 110' ' ' LEU . 0.1 OUTLIER -39.5 -52.14 2.14 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -179.447 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -65.4 -30.44 71.26 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.123 -179.189 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . 0.414 ' O ' ' CB ' ' B' ' 101' ' ' ALA . 0.1 OUTLIER -70.97 -35.98 72.37 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 178.334 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 99' ' ' ILE . . . . . 0.501 HG12 ' CD1' ' A' ' 25' ' ' LEU . 59.2 mt -61.57 -49.32 84.87 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.718 0 CA-C-N 114.646 -1.161 . . . . 0.0 109.562 178.357 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 100' ' ' HIS . . . . . 0.469 ' HB2' HD11 ' B' ' 110' ' ' LEU . 8.6 t-160 -53.52 -37.5 62.85 Favored 'General case' 0 CA--C 1.516 -0.354 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 177.725 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 101' ' ' ALA . . . . . 0.414 ' CB ' ' O ' ' B' ' 98' ' ' GLU . . . -55.11 -44.95 75.44 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 113.889 -1.505 . . . . 0.0 111.973 179.437 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 102' ' ' LEU . . . . . 0.402 ' CD1' HD23 ' A' ' 25' ' ' LEU . 0.5 OUTLIER -121.36 31.37 6.35 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 113.229 0.825 . . . . 0.0 113.229 -177.218 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 103' ' ' THR . . . . . 0.442 HG22 ' O ' ' B' ' 99' ' ' ILE . 44.2 p -146.19 -38.47 0.23 Allowed 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.843 -0.343 . . . . 0.0 111.622 179.439 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 1.8 t0 75.8 28.69 0.87 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.935 0.398 . . . . 0.0 110.18 -179.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 105' ' ' SER . . . . . 0.421 ' OG ' ' CZ ' ' A' ' 21' ' ' TYR . 3.7 m -60.63 -15.2 25.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.551 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 106' ' ' SER . . . . . 0.407 ' CB ' ' O ' ' B' ' 105' ' ' SER . 0.3 OUTLIER 79.11 127.25 0.05 OUTLIER 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 120.873 0.368 . . . . 0.0 110.643 -179.767 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . 0.467 ' HA ' HD13 ' B' ' 110' ' ' LEU . 3.3 mt-10 -57.48 -20.79 33.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.23 -179.759 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 10.1 mmtm -63.01 -55.39 26.09 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.995 0.426 . . . . 0.0 110.195 179.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -66.42 -34.98 79.16 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.751 178.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 110' ' ' LEU . . . . . 0.558 ' CD2' HD21 ' B' ' 96' ' ' LEU . 14.3 mt -67.0 -37.23 83.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.37 179.369 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -65.41 -40.84 93.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.307 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -60.6 -47.3 86.8 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.169 179.435 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 113' ' ' LEU . . . . . 0.439 HD22 ' O ' ' A' ' 14' ' ' ALA . 0.5 OUTLIER -68.97 -39.34 79.5 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.219 179.537 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 114' ' ' HIS . . . . . 0.653 ' HA ' HD21 ' B' ' 93' ' ' LEU . 0.2 OUTLIER -53.2 -38.82 63.19 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 178.939 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 115' ' ' SER . . . . . 0.499 ' HA ' ' HB2' ' B' ' 118' ' ' GLN . 1.5 m -74.81 -34.79 62.43 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.613 178.594 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 116' ' ' VAL . . . . . 0.405 HG11 ' CB ' ' A' ' 14' ' ' ALA . 29.5 t -56.23 -23.79 16.83 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.071 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.443 178.468 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 117' ' ' PHE . . . . . 0.524 ' CZ ' HG12 ' A' ' 40' ' ' VAL . 68.9 m-85 -108.26 -20.27 13.2 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.183 179.375 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 118' ' ' GLN . . . . . 0.579 ' HG2' ' O ' ' B' ' 114' ' ' HIS . 14.7 mm-40 -61.13 -39.63 90.75 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-O 120.995 0.426 . . . . 0.0 110.596 179.433 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -44.23 138.63 2.96 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.966 -179.164 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -81.57 -42.88 19.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.44 179.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -55.91 -33.77 64.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.339 179.301 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . 0.491 ' HG ' HD11 ' B' ' 126' ' ' LEU . 55.1 tp -55.38 -46.43 76.51 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.846 179.641 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 123' ' ' HIS . . . . . 0.683 ' HA ' ' CD1' ' B' ' 126' ' ' LEU . 0.0 OUTLIER -53.2 -28.08 24.89 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 121.165 0.507 . . . . 0.0 109.872 178.66 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 2.8 m -77.16 -32.62 56.34 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.167 179.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 20.9 mt -68.2 -43.77 77.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.31 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . 0.683 ' CD1' ' HA ' ' B' ' 123' ' ' HIS . 0.2 OUTLIER -73.39 -37.18 66.05 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.735 179.925 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.68 -53.09 62.09 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.324 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . 0.43 HD23 ' CE2' ' C' ' 59' ' ' TYR . 4.5 mt -70.99 -35.15 71.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.145 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 129' ' ' TYR . . . . . 0.438 ' HA ' ' HG ' ' A' ' 48' ' ' LEU . 0.4 OUTLIER -55.17 -50.75 68.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.038 -179.451 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 130' ' ' ASP . . . . . 0.408 ' OD1' ' CE2' ' B' ' 129' ' ' TYR . 14.2 m-20 -75.72 -33.54 60.31 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.327 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -54.88 -50.14 69.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.04 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 132' ' ' ILE . . . . . 0.436 ' HB ' ' CD2' ' A' ' 48' ' ' LEU . 2.0 mt -76.75 -38.69 30.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.968 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 133' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -65.79 -25.78 67.4 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.558 -179.207 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 90.1 m -78.97 -49.68 12.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.834 0.35 . . . . 0.0 110.824 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 165.57 -26.36 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.928 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 10.7 p . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.996 -179.829 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' C' C ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.203 0 CA-C-O 120.343 0.116 . . . . 0.0 110.726 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 8' ' ' LYS . . . . . 0.402 ' HG2' ' CG2' ' C' ' 53' ' ' ILE . 1.7 mmmm -69.13 -35.8 76.79 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 179.263 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -77.12 -30.67 55.32 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.518 178.428 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -79.49 -29.71 41.75 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.73 178.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 11' ' ' THR . . . . . 0.446 ' CG2' ' CD2' ' C' ' 44' ' ' PHE . 55.5 m -73.18 -50.43 22.59 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.126 179.382 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 12' ' ' GLN . . . . . 0.446 ' O ' ' HB2' ' C' ' 16' ' ' HIS . 0.6 OUTLIER -65.28 -35.72 81.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.109 179.375 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.55 -24.72 60.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.114 179.098 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 14' ' ' ALA . . . . . 0.456 ' O ' HD21 ' D' ' 113' ' ' LEU . . . -78.57 -55.07 5.48 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 178.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 15' ' ' LEU . . . . . 0.592 ' HB3' ' CD2' ' C' ' 44' ' ' PHE . 0.4 OUTLIER -61.01 -26.71 67.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.229 179.426 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' C' C ' 16' ' ' HIS . . . . . 0.446 ' HB2' ' O ' ' C' ' 12' ' ' GLN . 17.8 t-80 -73.86 -50.45 20.24 Favored 'General case' 0 CA--C 1.519 -0.23 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 178.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . 0.445 HD23 ' CZ ' ' C' ' 21' ' ' TYR . 1.0 OUTLIER -56.15 -39.25 72.02 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.345 178.693 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . 0.476 ' HB3' ' CG2' ' C' ' 37' ' ' ILE . 50.3 mt -62.77 -44.52 95.96 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.641 -1.163 . . . . 0.0 110.822 179.587 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -59.15 -34.93 72.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.982 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.5 -39.99 57.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.973 0.416 . . . . 0.0 110.504 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 21' ' ' TYR . . . . . 0.585 ' O ' ' HB2' ' C' ' 25' ' ' LEU . 21.9 m-85 -66.65 -47.43 72.56 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.631 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 22' ' ' ARG . . . . . 0.513 ' HG3' ' N ' ' C' ' 23' ' ' SER . 0.0 OUTLIER -57.8 -48.26 80.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.783 179.808 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' C' C ' 23' ' ' SER . . . . . 0.513 ' N ' ' HG3' ' C' ' 22' ' ' ARG . 1.3 p -56.5 -37.2 70.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.033 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 24' ' ' LYS . . . . . 0.4 ' NZ ' ' HB ' ' D' ' 103' ' ' THR . 0.0 OUTLIER -101.52 8.73 41.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.448 179.886 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' C' C ' 25' ' ' LEU . . . . . 0.585 ' HB2' ' O ' ' C' ' 21' ' ' TYR . 0.2 OUTLIER -93.38 -62.56 1.35 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.041 0.448 . . . . 0.0 111.483 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' C' C ' 26' ' ' SER . . . . . 0.653 ' HB2' ' HD2' ' C' ' 31' ' ' ARG . 27.7 p -58.45 -18.36 28.04 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.706 -0.679 . . . . 0.0 112.301 -178.586 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 27' ' ' GLN . . . . . 0.48 ' OE1' ' OG ' ' C' ' 26' ' ' SER . 1.1 mm100 -76.4 51.34 0.71 Allowed 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.465 -179.272 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 28' ' ' THR . . . . . 0.476 ' CG2' ' N ' ' C' ' 29' ' ' GLU . 3.1 t -176.15 -55.74 0.01 OUTLIER 'General case' 0 C--N 1.334 -0.09 0 CA-C-O 120.683 0.278 . . . . 0.0 111.724 179.299 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 29' ' ' GLU . . . . . 0.476 ' N ' ' CG2' ' C' ' 28' ' ' THR . 17.5 pt-20 -178.01 26.33 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.752 -179.554 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 30' ' ' ASP . . . . . 0.4 ' HB3' ' HB3' ' C' ' 33' ' ' LEU . 5.3 m-20 -131.81 50.16 2.26 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.891 -179.814 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . 0.653 ' HD2' ' HB2' ' C' ' 26' ' ' SER . 22.3 mmm180 -66.92 -51.33 56.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.487 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 8.0 tp60 -59.12 -45.35 91.13 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.229 0.538 . . . . 0.0 109.774 178.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 33' ' ' LEU . . . . . 0.417 ' CD2' ' HB3' ' D' ' 95' ' ' SER . 7.2 tp -55.56 -37.34 67.88 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.352 179.022 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 34' ' ' ARG . . . . . 0.629 ' HB2' ' HB3' ' C' ' 26' ' ' SER . 6.7 ttt180 -60.13 -42.28 94.47 Favored 'General case' 0 CA--C 1.516 -0.346 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 178.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 10.8 t -55.72 -39.92 71.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.969 178.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 36' ' ' SER . . . . . 0.406 ' O ' ' HB2' ' C' ' 39' ' ' ARG . 2.2 m -65.55 -51.52 59.26 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.244 179.13 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 37' ' ' ILE . . . . . 0.625 ' O ' HG12 ' C' ' 41' ' ' ILE . 40.6 mt -57.13 -36.39 51.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 178.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -62.36 -40.74 97.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.143 179.314 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 39' ' ' ARG . . . . . 0.551 ' CD ' ' HB2' ' D' ' 88' ' ' ALA . 17.6 mtt180 -55.51 -50.49 69.82 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.426 179.075 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . 0.557 ' O ' ' HB2' ' C' ' 44' ' ' PHE . 19.7 t -61.06 -30.73 48.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.87 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 41' ' ' ILE . . . . . 0.625 HG12 ' O ' ' C' ' 37' ' ' ILE . 12.5 mm -69.14 -51.76 40.33 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 N-CA-C 111.827 0.306 . . . . 0.0 111.827 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 11.4 t -65.38 -48.97 71.05 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-O 120.927 0.394 . . . . 0.0 111.199 -178.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 43' ' ' ILE . . . . . 0.49 HD12 HG21 ' C' ' 43' ' ' ILE . 9.2 mt -59.47 -34.37 54.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.543 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.54 179.759 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 44' ' ' PHE . . . . . 0.592 ' CD2' ' HB3' ' C' ' 15' ' ' LEU . 3.0 m-85 -71.9 -54.05 11.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.086 -0.506 . . . . 0.0 112.26 -179.694 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 45' ' ' GLN . . . . . 0.476 ' HG2' ' O ' ' C' ' 41' ' ' ILE . 3.7 pt20 -79.5 -0.96 35.4 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -178.427 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 46' ' ' SER . . . . . 0.423 ' OG ' ' CE1' ' D' ' 129' ' ' TYR . 0.3 OUTLIER -52.41 141.78 18.96 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.839 0.352 . . . . 0.0 110.853 179.937 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -60.59 -39.69 89.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.532 -179.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . 0.46 ' CD2' ' HB ' ' D' ' 132' ' ' ILE . 1.2 tp -77.75 -43.04 32.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.17 -179.684 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 49' ' ' PHE . . . . . 0.468 ' CG ' ' O ' ' C' ' 43' ' ' ILE . 82.8 t80 -50.92 -54.26 25.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.08 -179.417 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 41.5 mm-40 -55.51 -35.81 66.02 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.875 0.369 . . . . 0.0 110.446 179.424 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.91 -48.6 80.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.471 179.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 52' ' ' LEU . . . . . 0.421 ' CD1' ' N ' ' D' ' 129' ' ' TYR . 5.9 mt -57.61 -43.3 84.64 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.077 179.192 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 53' ' ' ILE . . . . . 0.402 ' CG2' ' HG2' ' C' ' 8' ' ' LYS . 37.0 mt -56.08 -36.03 43.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.164 179.18 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.07 -28.76 62.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.545 179.328 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 70.2 mt -74.82 -45.15 44.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.158 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 56' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -49.71 -22.48 1.39 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.887 -179.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 57' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -43.21 -46.6 6.14 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.742 0.306 . . . . 0.0 111.481 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 58' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -145.33 33.09 1.08 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.017 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 59' ' ' TYR . . . . . 0.442 ' CE2' ' CD1' ' A' ' 63' ' ' LEU . 52.6 m-85 -133.99 69.74 1.46 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.512 179.623 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -60.4 96.18 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 61' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -72.98 96.97 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.555 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 62' ' ' THR . . . . . 0.412 ' HB ' ' HB2' ' A' ' 60' ' ' GLU . 11.8 m -74.07 119.98 19.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.895 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 63' ' ' LEU . . . . . 0.468 ' CD1' ' CE2' ' A' ' 59' ' ' TYR . 1.1 mp -89.8 127.2 35.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.668 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.331 -0.22 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 82' ' ' LEU . . . . . 0.56 ' CD2' ' N ' ' D' ' 82' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 121.366 0.603 . . . . 0.0 109.411 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 83' ' ' LEU . . . . . 0.639 ' O ' ' HB2' ' D' ' 87' ' ' ARG . 0.4 OUTLIER -55.8 -42.4 75.58 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.251 -179.85 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' D' D ' 84' ' ' ALA . . . . . 0.847 ' HA ' ' HB2' ' D' ' 87' ' ' ARG . . . -113.6 1.57 15.0 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.675 -0.693 . . . . 0.0 112.405 -177.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 85' ' ' ALA . . . . . 0.439 ' CB ' ' HB3' ' D' ' 126' ' ' LEU . . . -53.08 -25.92 14.46 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 108.145 -1.058 . . . . 0.0 108.145 177.391 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 86' ' ' GLU . . . . . 0.423 ' HG3' ' CE1' ' D' ' 123' ' ' HIS . 0.6 OUTLIER -120.25 -31.37 4.4 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 114.642 -1.163 . . . . 0.0 109.533 178.126 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' D' D ' 87' ' ' ARG . . . . . 0.847 ' HB2' ' HA ' ' D' ' 84' ' ' ALA . 0.9 OUTLIER -66.83 -53.95 27.41 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 121.162 0.506 . . . . 0.0 109.947 179.04 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' D' D ' 88' ' ' ALA . . . . . 0.551 ' HB2' ' CD ' ' C' ' 39' ' ' ARG . . . -56.3 -41.63 76.25 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.497 179.729 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 89' ' ' VAL . . . . . 0.549 ' CG1' ' HB3' ' D' ' 117' ' ' PHE . 98.7 t -68.37 -50.37 57.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.804 178.694 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 5.5 t -62.7 -24.85 67.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.537 179.303 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 91' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -67.54 -51.02 55.8 Favored 'General case' 0 CA--C 1.516 -0.354 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 179.382 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 92' ' ' VAL . . . . . 0.412 HG22 ' CG2' ' C' ' 40' ' ' VAL . 11.9 t -74.35 -28.49 22.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.894 178.791 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 93' ' ' LEU . . . . . 0.554 ' CD2' ' HA ' ' D' ' 114' ' ' HIS . 1.4 mt -69.16 -27.07 65.2 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.835 179.249 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.31 -43.42 10.95 Favored 'General case' 0 C--N 1.334 -0.093 0 CA-C-O 120.925 0.393 . . . . 0.0 111.175 -179.815 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 95' ' ' SER . . . . . 0.417 ' HB3' ' CD2' ' C' ' 33' ' ' LEU . 0.5 OUTLIER -79.69 -16.93 54.79 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.993 -179.494 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' D' D ' 96' ' ' LEU . . . . . 0.471 ' O ' ' HB ' ' D' ' 99' ' ' ILE . 0.1 OUTLIER -41.22 -50.49 3.6 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.022 0.439 . . . . 0.0 111.853 -179.526 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -68.94 -28.71 66.9 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.058 -179.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 98' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.49 -34.61 72.55 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 178.119 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 99' ' ' ILE . . . . . 0.471 ' HB ' ' O ' ' D' ' 96' ' ' LEU . 73.0 mt -60.08 -49.57 83.54 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.681 0 CA-C-N 114.591 -1.186 . . . . 0.0 109.449 178.146 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 100' ' ' HIS . . . . . 0.498 ' HB2' ' CD1' ' D' ' 110' ' ' LEU . 1.8 t-160 -56.35 -34.95 67.11 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 178.232 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 101' ' ' ALA . . . . . . . . . . . . . . . -55.67 -43.92 76.78 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.577 -1.192 . . . . 0.0 111.679 179.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 102' ' ' LEU . . . . . 0.437 ' CD1' ' CD2' ' C' ' 25' ' ' LEU . 0.3 OUTLIER -118.4 24.83 10.69 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -177.529 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' D' D ' 103' ' ' THR . . . . . 0.453 ' OG1' ' O ' ' D' ' 99' ' ' ILE . 37.7 p -141.63 -23.7 0.72 Allowed 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.095 0.405 . . . . 0.0 112.095 179.748 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 1.8 t0 67.46 23.83 8.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.078 0.466 . . . . 0.0 110.557 -179.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 105' ' ' SER . . . . . 0.425 ' HB3' ' CE1' ' C' ' 21' ' ' TYR . 32.7 m -62.3 -16.1 51.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.119 179.77 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 106' ' ' SER . . . . . . . . . . . . . 4.2 t 78.9 124.64 0.04 OUTLIER 'General case' 0 C--O 1.232 0.163 0 CA-C-O 121.017 0.437 . . . . 0.0 111.043 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -54.16 -24.17 17.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.854 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 4.8 mmtt -59.02 -54.56 45.76 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.026 0.441 . . . . 0.0 110.034 179.455 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 109' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -61.5 -40.37 94.35 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.833 179.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 110' ' ' LEU . . . . . 0.498 ' CD1' ' HB2' ' D' ' 100' ' ' HIS . 83.9 mt -61.96 -39.85 93.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.351 179.323 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 111' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -60.06 -43.1 95.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.406 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 112' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -58.72 -47.25 85.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.174 179.563 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 113' ' ' LEU . . . . . 0.456 HD21 ' O ' ' C' ' 14' ' ' ALA . 0.5 OUTLIER -70.22 -33.01 71.15 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.425 179.861 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' D' D ' 114' ' ' HIS . . . . . 0.554 ' HA ' ' CD2' ' D' ' 93' ' ' LEU . 0.1 OUTLIER -57.57 -33.96 68.7 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 178.189 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' D' D ' 115' ' ' SER . . . . . 0.424 ' HA ' ' HB2' ' D' ' 118' ' ' GLN . 14.8 m -74.94 -38.88 61.64 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.013 178.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 116' ' ' VAL . . . . . 0.443 ' O ' ' CD2' ' D' ' 122' ' ' LEU . 54.0 t -57.26 -23.55 19.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.311 -0.859 . . . . 0.0 109.702 178.289 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 117' ' ' PHE . . . . . 0.549 ' HB3' ' CG1' ' D' ' 89' ' ' VAL . 25.8 m-85 -103.45 -37.58 7.53 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.585 -179.626 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 118' ' ' GLN . . . . . 0.467 ' NE2' ' O ' ' D' ' 114' ' ' HIS . 0.6 OUTLIER -55.23 -32.91 62.67 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.49 -178.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -46.09 138.96 4.83 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.636 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 120' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -80.88 -45.67 16.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.769 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 121' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -55.78 -33.95 64.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.553 179.628 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 122' ' ' LEU . . . . . 0.443 ' CD2' ' O ' ' D' ' 116' ' ' VAL . 53.9 tp -55.58 -49.57 72.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.307 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 123' ' ' HIS . . . . . 0.631 ' HA ' ' CD1' ' D' ' 126' ' ' LEU . 93.4 m-70 -50.83 -27.47 7.43 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.192 0.52 . . . . 0.0 110.034 178.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 124' ' ' THR . . . . . . . . . . . . . 2.0 m -76.56 -35.86 57.95 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.848 179.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 125' ' ' LEU . . . . . 0.401 ' HG ' ' HA ' ' D' ' 122' ' ' LEU . 11.9 mt -67.21 -37.63 83.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.496 179.441 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 126' ' ' LEU . . . . . 0.631 ' CD1' ' HA ' ' D' ' 123' ' ' HIS . 0.9 OUTLIER -68.93 -49.33 59.01 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.669 179.784 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' D' D ' 127' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.79 -53.28 59.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.285 -179.767 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 128' ' ' LEU . . . . . 0.413 HD23 ' CD2' ' A' ' 59' ' ' TYR . 52.5 mt -62.53 -36.98 84.32 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.18 -179.669 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 129' ' ' TYR . . . . . 0.423 ' CE1' ' OG ' ' C' ' 46' ' ' SER . 0.3 OUTLIER -55.8 -52.25 64.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.887 0.375 . . . . 0.0 110.96 -179.344 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' D' D ' 130' ' ' ASP . . . . . 0.453 ' HB3' ' CD2' ' D' ' 82' ' ' LEU . 7.8 t70 -76.19 -28.97 57.48 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.078 179.785 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.86 -54.01 47.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.847 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 132' ' ' ILE . . . . . 0.46 ' HB ' ' CD2' ' C' ' 48' ' ' LEU . 1.6 mt -75.46 -38.15 39.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.757 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 133' ' ' ASN . . . . . 0.416 ' HB2' HD23 ' C' ' 48' ' ' LEU . 27.8 t-20 . . . . . 0 C--N 1.327 -0.392 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.215 -179.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.6 ttm180 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.73 -38.33 88.86 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-O 121.255 0.55 . . . . 0.0 109.525 179.006 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 50.1 mm-40 -74.99 -30.61 61.21 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.806 178.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -78.91 -29.59 44.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.919 179.19 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.437 HG21 ' CE2' ' A' ' 44' ' ' PHE . 58.6 m -70.08 -45.7 66.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.359 179.62 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -69.61 -38.49 77.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.291 -0.413 . . . . 0.0 109.988 179.329 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 44.4 ttt180 -71.96 -24.37 61.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.038 179.022 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.48 ' O ' HD21 ' B' ' 113' ' ' LEU . . . -78.46 -54.8 5.77 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 121.229 0.538 . . . . 0.0 109.569 179.119 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.603 ' HB3' ' CD2' ' A' ' 44' ' ' PHE . 0.4 OUTLIER -63.11 -25.03 68.17 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.738 179.272 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -72.97 -46.46 52.18 Favored 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 178.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.424 HD21 ' CE1' ' A' ' 21' ' ' TYR . 2.2 mt -62.06 -35.5 78.83 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.562 -0.744 . . . . 0.0 109.258 178.43 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.419 ' CD2' ' CG1' ' B' ' 92' ' ' VAL . 52.7 mt -61.54 -44.43 97.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.572 179.516 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -63.08 -37.48 87.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -73.47 -37.51 65.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.057 179.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.597 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 14.8 m-30 -68.18 -45.81 72.43 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.902 179.566 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.417 ' CG ' ' CG ' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -55.1 -51.11 67.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.809 179.735 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 60.6 p -56.42 -42.79 78.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.873 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.2 ptmt -89.78 3.12 53.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.632 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.597 ' HB2' ' O ' ' A' ' 21' ' ' TYR . 0.2 OUTLIER -92.14 -67.3 0.86 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.981 0.42 . . . . 0.0 111.176 -179.799 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.442 ' HB3' ' HB2' ' A' ' 34' ' ' ARG . 2.5 p -59.41 -158.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.208 -179.308 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.429 ' OE1' ' NH1' ' A' ' 31' ' ' ARG . 1.7 mp0 60.04 27.83 17.3 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 120.967 0.413 . . . . 0.0 110.537 -179.785 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.535 ' CG2' ' H ' ' A' ' 29' ' ' GLU . 3.5 t -150.47 -63.15 0.2 Allowed 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 121.211 0.529 . . . . 0.0 111.222 -179.693 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.535 ' H ' ' CG2' ' A' ' 28' ' ' THR . 17.2 pt-20 -172.79 27.92 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.323 -179.508 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.402 ' HB3' ' HB3' ' A' ' 33' ' ' LEU . 2.0 m-20 -143.17 52.56 1.36 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.657 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.429 ' NH1' ' OE1' ' A' ' 27' ' ' GLN . 12.5 mmm180 -66.08 -52.52 48.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.181 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -55.79 -47.08 77.72 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.201 0.524 . . . . 0.0 109.693 178.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.428 ' CD2' ' HB3' ' B' ' 95' ' ' SER . 11.0 tp -55.64 -34.06 64.59 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.798 178.8 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.442 ' HB2' ' HB3' ' A' ' 26' ' ' SER . 7.2 ttp180 -60.62 -42.63 97.23 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.491 178.826 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.9 t -62.06 -33.79 75.05 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.306 179.049 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.49 ' O ' ' HG2' ' A' ' 39' ' ' ARG . 5.6 p -65.91 -48.68 70.65 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.944 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.589 ' O ' HG12 ' A' ' 41' ' ' ILE . 32.4 mt -60.51 -39.19 80.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.135 0.493 . . . . 0.0 109.744 179.134 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.58 -51.78 66.01 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.028 -0.987 . . . . 0.0 111.918 -179.65 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.509 ' HG3' ' CB ' ' B' ' 88' ' ' ALA . 4.5 ptp180 -55.21 -39.3 69.48 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.15 -179.61 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.435 ' O ' ' HB2' ' A' ' 44' ' ' PHE . 92.3 t -63.59 -38.01 81.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.863 178.386 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.589 HG12 ' O ' ' A' ' 37' ' ' ILE . 9.4 mm -57.6 -56.4 15.59 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.156 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.087 179.484 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.8 p -59.71 -47.2 86.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.848 0.356 . . . . 0.0 110.555 -179.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 14.7 mt -59.89 -34.89 57.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.971 179.347 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.603 ' CD2' ' HB3' ' A' ' 15' ' ' LEU . 1.4 m-85 -72.56 -56.66 5.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.775 179.665 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -81.88 2.83 28.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.023 -0.535 . . . . 0.0 112.129 -178.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.6 p -50.12 175.57 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.844 0.354 . . . . 0.0 111.118 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -88.18 -38.38 15.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.213 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.473 ' CD2' ' HB ' ' B' ' 132' ' ' ILE . 1.8 tp -79.72 -43.08 23.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.546 -179.619 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -50.58 -56.35 12.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.103 -179.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -58.54 -31.84 68.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.953 0.406 . . . . 0.0 110.035 179.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.06 -47.92 83.87 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.379 179.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.6 mt -60.14 -44.37 94.99 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.404 179.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.9 mt -55.03 -37.38 42.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.487 179.389 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -73.2 -38.31 66.15 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.085 178.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.44 HG23 ' CG ' ' A' ' 59' ' ' TYR . 70.0 mt -60.86 -44.35 97.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.49 179.381 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -52.27 -24.84 8.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.486 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -49.3 -28.22 4.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.687 0.279 . . . . 0.0 111.118 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -153.62 24.17 0.52 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.316 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.44 ' CG ' HG23 ' A' ' 55' ' ' ILE . 49.6 m-85 -135.91 80.62 1.84 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.5 179.77 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -66.98 95.04 0.36 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -72.66 96.9 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-O 120.934 0.397 . . . . 0.0 110.737 179.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.1 m -82.68 104.43 12.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.613 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.419 HD11 ' CE2' ' C' ' 59' ' ' TYR . 0.3 OUTLIER -82.1 130.47 35.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.961 0.41 . . . . 0.0 110.649 179.681 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.5 ' N ' ' CD2' ' A' ' 64' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.033 -179.526 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . 0.573 ' HA ' ' CG ' ' B' ' 130' ' ' ASP . 9.6 tt . . . . . 0 N--CA 1.446 -0.648 0 CA-C-O 121.145 0.498 . . . . 0.0 110.249 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . 0.626 ' O ' ' HB3' ' B' ' 87' ' ' ARG . 0.6 OUTLIER -71.05 -40.22 71.79 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.369 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . 0.82 ' O ' ' HB1' ' B' ' 88' ' ' ALA . . . -82.35 -17.31 46.1 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.834 -179.032 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 85' ' ' ALA . . . . . 0.435 ' CB ' ' HB3' ' B' ' 126' ' ' LEU . . . -52.06 -23.03 4.64 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.227 -0.589 . . . . 0.0 109.728 179.152 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -127.06 -40.02 1.89 Allowed 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.793 178.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 87' ' ' ARG . . . . . 0.626 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 33.8 ttt85 -65.59 -40.49 92.74 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.733 179.471 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . 0.82 ' HB1' ' O ' ' B' ' 84' ' ' ALA . . . -68.53 -42.9 77.82 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.0 -179.578 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 89' ' ' VAL . . . . . 0.469 ' O ' ' HB2' ' B' ' 93' ' ' LEU . 61.0 t -69.66 -36.0 68.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.374 179.31 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 2.4 t -74.31 -26.75 60.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.673 179.53 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 91' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -67.4 -57.08 7.23 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-O 121.329 0.585 . . . . 0.0 109.742 179.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 92' ' ' VAL . . . . . 0.419 ' CG1' ' CD2' ' A' ' 18' ' ' LEU . 6.2 t -65.37 -27.65 42.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.276 -0.874 . . . . 0.0 109.96 179.069 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 93' ' ' LEU . . . . . 0.526 HD23 ' HA ' ' B' ' 114' ' ' HIS . 2.7 mt -66.26 -36.52 83.21 Favored 'General case' 0 C--O 1.231 0.09 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.555 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.52 -39.25 20.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.975 0.417 . . . . 0.0 111.039 -179.51 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 95' ' ' SER . . . . . 0.428 ' HB3' ' CD2' ' A' ' 33' ' ' LEU . 5.5 m -80.22 -17.89 51.04 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.133 -179.256 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . 0.447 ' O ' ' HB ' ' B' ' 99' ' ' ILE . 0.1 OUTLIER -38.53 -52.41 1.6 Allowed 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -179.077 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -71.21 -28.23 64.06 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.037 -179.365 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.6 -33.56 72.87 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 177.764 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 99' ' ' ILE . . . . . 0.451 ' O ' HG21 ' B' ' 103' ' ' THR . 58.1 mt -63.36 -49.58 82.28 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.862 0 CA-C-N 114.51 -1.223 . . . . 0.0 109.689 178.508 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 100' ' ' HIS . . . . . 0.504 ' HB2' ' CD1' ' B' ' 110' ' ' LEU . 1.8 t-160 -56.48 -32.88 65.42 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 178.116 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -57.39 -46.07 83.84 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 114.54 -1.209 . . . . 0.0 111.986 179.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 102' ' ' LEU . . . . . 0.407 ' CD1' HD23 ' A' ' 25' ' ' LEU . 0.4 OUTLIER -116.63 26.66 9.7 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.736 -177.48 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 103' ' ' THR . . . . . 0.451 HG21 ' O ' ' B' ' 99' ' ' ILE . 31.9 p -140.67 -31.93 0.6 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.663 0.268 . . . . 0.0 111.484 179.604 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 1.1 t70 68.45 27.25 6.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.963 0.411 . . . . 0.0 110.55 -179.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 105' ' ' SER . . . . . 0.423 ' HB3' ' CE1' ' A' ' 21' ' ' TYR . 10.9 m -53.8 -77.75 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.654 179.813 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 167.55 105.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.429 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -47.97 -35.17 10.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.869 0.366 . . . . 0.0 110.638 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.8 -43.15 89.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.631 178.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.94 -39.74 94.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.767 179.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 110' ' ' LEU . . . . . 0.504 ' CD1' ' HB2' ' B' ' 100' ' ' HIS . 50.8 mt -61.46 -35.01 76.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.816 179.048 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 111' ' ' ASP . . . . . 0.433 ' HA ' ' ND1' ' B' ' 114' ' ' HIS . 5.0 m-20 -64.01 -48.67 75.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.737 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -58.86 -37.79 77.3 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.865 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 113' ' ' LEU . . . . . 0.48 HD21 ' O ' ' A' ' 14' ' ' ALA . 0.5 OUTLIER -75.96 -36.74 59.18 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.033 -179.865 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 114' ' ' HIS . . . . . 0.534 ' C ' ' CD2' ' B' ' 114' ' ' HIS . 0.0 OUTLIER -59.05 -33.35 70.66 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 178.939 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 115' ' ' SER . . . . . 0.46 ' N ' ' CD2' ' B' ' 114' ' ' HIS . 39.2 t -75.81 -36.76 59.61 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 178.283 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 116' ' ' VAL . . . . . 0.405 ' O ' ' CD2' ' B' ' 122' ' ' LEU . 28.1 t -61.34 -23.33 30.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.726 178.297 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 117' ' ' PHE . . . . . 0.461 ' HB3' ' CG1' ' B' ' 89' ' ' VAL . 27.8 m-85 -100.49 -37.08 8.97 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.374 -179.642 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.49 -28.06 69.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.682 -179.095 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -41.16 114.72 0.52 Allowed 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.792 -179.325 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.32 -43.01 92.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.495 179.771 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 16.9 m-70 -60.99 -34.15 74.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.448 179.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . 0.405 ' CD2' ' O ' ' B' ' 116' ' ' VAL . 48.8 tp -56.03 -49.08 74.69 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.498 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 123' ' ' HIS . . . . . 0.51 ' HA ' ' CD1' ' B' ' 126' ' ' LEU . 97.1 m-70 -53.81 -26.03 22.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.981 179.04 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 124' ' ' THR . . . . . 0.449 ' O ' ' HG ' ' B' ' 128' ' ' LEU . 1.9 m -74.22 -40.21 62.59 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.294 178.755 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 4.9 mt -67.02 -31.82 72.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.845 178.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . 0.51 ' CD1' ' HA ' ' B' ' 123' ' ' HIS . 7.1 mt -73.29 -50.87 19.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.393 -179.582 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.87 -51.55 68.8 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.909 0.385 . . . . 0.0 110.942 179.759 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' B' ' 124' ' ' THR . 12.0 mt -60.66 -37.48 81.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.34 179.595 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 129' ' ' TYR . . . . . 0.455 ' HA ' ' HG ' ' A' ' 48' ' ' LEU . 0.2 OUTLIER -56.95 -44.25 82.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.359 179.567 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 130' ' ' ASP . . . . . 0.573 ' CG ' ' HA ' ' B' ' 82' ' ' LEU . 0.2 OUTLIER -76.07 -39.24 55.85 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.064 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 15.2 mttm -54.98 -53.84 50.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.496 -179.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 132' ' ' ILE . . . . . 0.473 ' HB ' ' CD2' ' A' ' 48' ' ' LEU . 2.2 mt -72.26 -38.21 61.21 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 CA-C-O 120.978 0.418 . . . . 0.0 110.67 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 133' ' ' ASN . . . . . . . . . . . . . 60.6 t-20 -60.53 -32.64 71.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.672 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 80.7 m -64.02 -29.67 70.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.914 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.59 -29.78 14.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.019 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.043 179.953 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' C' C ' 7' ' ' ARG . . . . . . . . . . . . . 12.0 ttm-85 . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 1.5 tptp -60.88 -38.17 84.7 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-O 121.149 0.5 . . . . 0.0 109.722 179.101 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 61.4 mm-40 -73.93 -29.19 61.9 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.066 179.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -78.13 -31.76 50.06 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.371 179.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 16.8 p -71.92 -42.73 66.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.384 179.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -68.95 -40.59 78.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.389 179.561 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 12.2 ttt180 -72.9 -24.36 60.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.183 179.031 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 14' ' ' ALA . . . . . 0.458 ' O ' HD23 ' D' ' 113' ' ' LEU . . . -78.72 -50.79 10.78 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.877 179.3 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 15' ' ' LEU . . . . . 0.516 ' CD2' ' HB3' ' C' ' 44' ' ' PHE . 0.5 OUTLIER -66.81 -27.24 67.41 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.763 179.623 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' C' C ' 16' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -73.61 -45.86 50.47 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 178.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . 0.436 HD21 ' CE1' ' C' ' 21' ' ' TYR . 1.6 mt -61.62 -42.16 98.49 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.669 178.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . 0.429 ' HB3' ' CG2' ' C' ' 37' ' ' ILE . 10.7 mt -58.99 -42.91 91.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.393 -0.822 . . . . 0.0 110.629 179.617 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 19' ' ' GLU . . . . . 0.406 ' O ' ' CG ' ' C' ' 22' ' ' ARG . 0.0 OUTLIER -58.05 -45.71 86.56 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.06 0.457 . . . . 0.0 110.508 179.637 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -69.81 -32.98 71.71 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.697 179.086 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 21' ' ' TYR . . . . . 0.602 ' O ' ' HB2' ' C' ' 25' ' ' LEU . 9.1 m-30 -65.93 -47.42 74.77 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.915 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 22' ' ' ARG . . . . . 0.406 ' CG ' ' O ' ' C' ' 19' ' ' GLU . 9.1 ptt85 -59.95 -43.58 94.93 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.866 0.365 . . . . 0.0 110.758 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 1.7 p -58.09 -39.66 79.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.679 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 24' ' ' LYS . . . . . 0.423 ' HG3' ' HB ' ' D' ' 103' ' ' THR . 5.9 ptmt -94.0 -11.42 30.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.828 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 25' ' ' LEU . . . . . 0.602 ' HB2' ' O ' ' C' ' 21' ' ' TYR . 0.7 OUTLIER -79.32 -68.78 0.63 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.873 0.368 . . . . 0.0 111.152 -179.632 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' C' C ' 26' ' ' SER . . . . . 0.465 ' HB2' ' HB2' ' C' ' 34' ' ' ARG . 33.6 t -62.39 -144.46 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.803 -179.396 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 48.35 27.24 1.3 Allowed 'General case' 0 N--CA 1.452 -0.346 0 CA-C-O 120.992 0.425 . . . . 0.0 110.35 -179.429 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 28' ' ' THR . . . . . 0.452 ' CG2' ' N ' ' C' ' 29' ' ' GLU . 12.9 t -152.18 -53.4 0.12 Allowed 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.856 -179.619 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 29' ' ' GLU . . . . . 0.452 ' N ' ' CG2' ' C' ' 28' ' ' THR . 9.7 pt-20 -177.47 26.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.779 -179.807 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 30' ' ' ASP . . . . . 0.44 ' CB ' HD21 ' C' ' 25' ' ' LEU . 0.9 OUTLIER -141.71 55.07 1.5 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.992 0.425 . . . . 0.0 110.914 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 2.0 mmm180 -65.02 -50.81 64.8 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.096 179.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.88 -50.56 73.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.083 179.156 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 33' ' ' LEU . . . . . 0.428 HD11 ' CB ' ' D' ' 95' ' ' SER . 4.9 tp -52.72 -33.32 47.43 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.092 179.058 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 34' ' ' ARG . . . . . 0.465 ' HB2' ' HB2' ' C' ' 26' ' ' SER . 6.8 ttp180 -60.62 -49.76 76.24 Favored 'General case' 0 CA--C 1.517 -0.311 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 178.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 4.9 m -55.7 -32.68 63.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.173 179.026 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 36' ' ' SER . . . . . 0.484 ' O ' ' CG ' ' C' ' 39' ' ' ARG . 1.4 m -66.69 -48.29 69.77 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.528 179.458 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 37' ' ' ILE . . . . . 0.6 ' O ' HG12 ' C' ' 41' ' ' ILE . 54.0 mt -58.21 -40.04 75.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 179.208 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -58.81 -52.61 64.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.611 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 39' ' ' ARG . . . . . 0.484 ' CG ' ' O ' ' C' ' 36' ' ' SER . 1.9 ptp180 -55.68 -35.75 66.37 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.053 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . 0.437 ' O ' ' HB2' ' C' ' 44' ' ' PHE . 89.8 t -68.82 -33.0 57.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.883 178.655 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 41' ' ' ILE . . . . . 0.6 HG12 ' O ' ' C' ' 37' ' ' ILE . 9.7 mm -69.67 -58.26 6.05 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.136 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 179.449 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 18.9 p -56.57 -47.56 79.27 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-O 121.07 0.462 . . . . 0.0 110.377 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 43' ' ' ILE . . . . . . . . . . . . . 16.8 mt -60.05 -32.23 49.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.948 179.086 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 44' ' ' PHE . . . . . 0.516 ' HB3' ' CD2' ' C' ' 15' ' ' LEU . 0.3 OUTLIER -72.59 -57.29 4.26 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.77 179.704 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' C' C ' 45' ' ' GLN . . . . . 0.443 ' HG2' ' O ' ' C' ' 41' ' ' ILE . 4.8 pt20 -74.4 -3.28 29.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 112.116 -178.725 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 46' ' ' SER . . . . . 0.409 ' OG ' ' CE1' ' D' ' 129' ' ' TYR . 6.3 t -54.71 126.47 24.12 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.799 0.333 . . . . 0.0 110.678 179.809 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -53.87 -24.73 16.9 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.601 -179.553 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . 0.54 ' CD1' ' HA ' ' D' ' 129' ' ' TYR . 0.3 OUTLIER -76.14 -49.21 17.96 Favored 'General case' 0 CA--C 1.519 -0.225 0 N-CA-C 109.252 -0.648 . . . . 0.0 109.252 179.173 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' C' C ' 49' ' ' PHE . . . . . 0.476 ' CE2' ' CD1' ' C' ' 53' ' ' ILE . 85.6 t80 -52.71 -41.78 64.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.37 179.45 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 50' ' ' GLN . . . . . 0.469 ' CA ' ' OE1' ' C' ' 50' ' ' GLN . 0.0 OUTLIER -59.68 -44.91 93.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.462 179.352 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.18 -48.03 83.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.945 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 52' ' ' LEU . . . . . 0.406 HD13 ' HB2' ' D' ' 128' ' ' LEU . 2.1 mt -59.12 -45.88 89.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.903 0.383 . . . . 0.0 110.53 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 53' ' ' ILE . . . . . 0.489 HD11 HG21 ' C' ' 53' ' ' ILE . 50.2 mt -53.61 -42.39 50.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.517 179.624 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -63.27 -39.13 93.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.385 179.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 55' ' ' ILE . . . . . 0.462 HD12 HG22 ' C' ' 55' ' ' ILE . 67.8 mt -60.37 -34.17 56.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.681 179.761 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.19 -21.76 5.63 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.764 -179.81 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 57' ' ' GLU . . . . . 0.405 ' O ' ' CD1' ' C' ' 58' ' ' PHE . 41.5 mt-10 -45.08 -43.03 9.22 Favored 'General case' 0 N--CA 1.462 0.159 0 N-CA-C 111.692 0.256 . . . . 0.0 111.692 -179.666 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 58' ' ' PHE . . . . . 0.405 ' CD1' ' O ' ' C' ' 57' ' ' GLU . 83.1 m-85 -155.69 38.73 0.38 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.822 0.304 . . . . 0.0 111.822 -179.59 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 59' ' ' TYR . . . . . 0.445 ' CE2' HD22 ' B' ' 128' ' ' LEU . 59.7 m-85 -136.07 79.7 1.78 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.874 179.609 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.16 87.9 0.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.948 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 61' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -73.26 98.77 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 120.924 0.393 . . . . 0.0 111.126 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 62' ' ' THR . . . . . . . . . . . . . 3.7 m -80.97 122.36 27.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.527 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 63' ' ' LEU . . . . . 0.426 HD13 ' CE2' ' A' ' 59' ' ' TYR . 0.1 OUTLIER -93.01 130.03 38.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.895 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' C' C ' 64' ' ' LEU . . . . . 0.473 ' CD2' ' N ' ' C' ' 64' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.433 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.086 -179.604 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 82' ' ' LEU . . . . . . . . . . . . . 9.3 tt . . . . . 0 N--CA 1.45 -0.467 0 CA-C-O 121.199 0.523 . . . . 0.0 109.878 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' D' D ' 83' ' ' LEU . . . . . 0.606 ' O ' ' HB3' ' D' ' 87' ' ' ARG . 0.7 OUTLIER -66.51 -40.18 89.07 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.604 179.911 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' D' D ' 84' ' ' ALA . . . . . 0.815 ' O ' ' HB3' ' D' ' 88' ' ' ALA . . . -80.27 -17.84 51.05 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.617 -178.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 85' ' ' ALA . . . . . 0.523 ' CB ' ' HB3' ' D' ' 126' ' ' LEU . . . -51.68 -25.68 7.73 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 179.085 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 86' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -124.84 -37.81 2.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.023 178.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 87' ' ' ARG . . . . . 0.606 ' HB3' ' O ' ' D' ' 83' ' ' LEU . 33.0 ttt180 -68.37 -37.73 80.72 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.969 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 88' ' ' ALA . . . . . 0.815 ' HB3' ' O ' ' D' ' 84' ' ' ALA . . . -72.15 -39.96 68.38 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.245 -179.296 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 89' ' ' VAL . . . . . 0.513 ' CG1' ' HB3' ' D' ' 117' ' ' PHE . 21.5 t -76.97 -35.2 23.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.871 179.586 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 8.3 t -74.96 -43.26 55.1 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.169 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 91' ' ' GLN . . . . . 0.412 ' CG ' ' N ' ' D' ' 92' ' ' VAL . 6.9 pt20 -64.56 -49.97 69.12 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.056 0.455 . . . . 0.0 109.782 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 92' ' ' VAL . . . . . 0.412 ' N ' ' CG ' ' D' ' 91' ' ' GLN . 62.4 t -64.28 -27.67 43.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 177.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 93' ' ' LEU . . . . . 0.589 ' CD2' ' HA ' ' D' ' 114' ' ' HIS . 1.0 OUTLIER -58.22 -47.45 83.45 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.129 179.141 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.01 -24.41 52.15 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.196 -179.655 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 95' ' ' SER . . . . . 0.443 ' O ' HG13 ' D' ' 99' ' ' ILE . 4.8 m -79.31 -29.69 42.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.758 -179.483 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 96' ' ' LEU . . . . . 0.522 ' O ' ' HB ' ' D' ' 99' ' ' ILE . 0.2 OUTLIER -37.64 -52.49 1.23 Allowed 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 112.528 0.566 . . . . 0.0 112.528 -179.294 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' D' D ' 97' ' ' GLU . . . . . 0.428 ' HA ' HD13 ' D' ' 110' ' ' LEU . 45.5 mt-10 -66.09 -30.52 71.05 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.959 0.409 . . . . 0.0 111.187 -179.173 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 98' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' D' ' 95' ' ' SER . 0.0 OUTLIER -70.02 -34.95 73.95 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 177.62 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' D' D ' 99' ' ' ILE . . . . . 0.522 ' HB ' ' O ' ' D' ' 96' ' ' LEU . 6.6 mt -59.32 -49.35 83.81 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.644 0 CA-C-N 114.386 -1.279 . . . . 0.0 110.031 178.433 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 100' ' ' HIS . . . . . 0.495 ' HB2' ' CD1' ' D' ' 110' ' ' LEU . 2.0 t-160 -58.03 -35.08 70.78 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 178.464 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 101' ' ' ALA . . . . . . . . . . . . . . . -55.36 -43.25 74.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.676 -1.147 . . . . 0.0 111.874 179.408 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 102' ' ' LEU . . . . . 0.417 ' CD1' HD23 ' C' ' 25' ' ' LEU . 0.4 OUTLIER -119.66 31.67 6.45 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.622 -0.717 . . . . 0.0 112.804 -177.452 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' D' D ' 103' ' ' THR . . . . . 0.423 ' HB ' ' HG3' ' C' ' 24' ' ' LYS . 35.4 p -146.89 -34.29 0.27 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.709 0.29 . . . . 0.0 111.572 179.713 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 1.7 t0 70.75 28.01 3.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.892 0.377 . . . . 0.0 110.326 -179.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 105' ' ' SER . . . . . 0.414 ' OG ' ' CE1' ' C' ' 21' ' ' TYR . 3.7 m -54.32 -77.61 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.773 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 106' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 167.55 105.36 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.487 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -47.31 -32.32 4.62 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.91 0.386 . . . . 0.0 110.596 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -66.93 -44.42 80.72 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 178.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 109' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -66.23 -35.2 79.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.706 178.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 110' ' ' LEU . . . . . 0.495 ' CD1' ' HB2' ' D' ' 100' ' ' HIS . 17.1 mt -63.08 -44.53 95.52 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.998 179.268 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 111' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -60.34 -42.1 94.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.608 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 112' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -58.83 -43.25 90.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.344 179.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 113' ' ' LEU . . . . . 0.458 HD23 ' O ' ' C' ' 14' ' ' ALA . 0.5 OUTLIER -72.82 -32.71 65.7 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.707 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' D' D ' 114' ' ' HIS . . . . . 0.589 ' HA ' ' CD2' ' D' ' 93' ' ' LEU . 35.1 m170 -60.24 -37.9 81.79 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 178.347 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 115' ' ' SER . . . . . . . . . . . . . 70.1 m -73.37 -37.71 65.95 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 178.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 116' ' ' VAL . . . . . 0.4 HG13 ' CE1' ' D' ' 117' ' ' PHE . 55.1 t -60.05 -23.07 26.04 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 CA-C-N 115.165 -0.925 . . . . 0.0 109.711 178.293 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 117' ' ' PHE . . . . . 0.513 ' HB3' ' CG1' ' D' ' 89' ' ' VAL . 6.7 m-30 -107.37 -25.18 11.56 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.69 -179.503 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 118' ' ' GLN . . . . . 0.422 ' HB2' ' O ' ' D' ' 114' ' ' HIS . 0.0 OUTLIER -67.43 -37.81 83.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.698 0.285 . . . . 0.0 111.588 -179.029 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -42.71 111.71 0.28 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.749 -179.262 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 120' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -56.51 -40.19 74.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.422 179.702 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 121' ' ' HIS . . . . . . . . . . . . . 20.4 m170 -56.16 -34.01 65.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.195 179.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 122' ' ' LEU . . . . . 0.405 ' CD2' ' HA ' ' D' ' 117' ' ' PHE . 36.4 tp -56.03 -48.99 74.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.297 179.667 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 123' ' ' HIS . . . . . 0.52 ' HA ' ' CD1' ' D' ' 126' ' ' LEU . 40.5 m170 -54.64 -24.42 21.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.092 179.042 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 124' ' ' THR . . . . . . . . . . . . . 1.7 m -75.52 -39.04 58.92 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 178.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 125' ' ' LEU . . . . . 0.4 ' O ' HD13 ' C' ' 52' ' ' LEU . 4.7 mt -69.45 -33.63 73.2 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.647 178.668 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 126' ' ' LEU . . . . . 0.523 ' HB3' ' CB ' ' D' ' 85' ' ' ALA . 3.9 mt -73.6 -49.85 24.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.07 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 127' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -60.79 -43.0 98.67 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.709 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 128' ' ' LEU . . . . . 0.432 HD22 ' CD2' ' A' ' 59' ' ' TYR . 19.1 mt -74.24 -29.7 61.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.204 179.309 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 129' ' ' TYR . . . . . 0.54 ' HA ' ' CD1' ' C' ' 48' ' ' LEU . 0.3 OUTLIER -56.39 -52.1 65.87 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.861 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' D' D ' 130' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.47 -35.48 58.41 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.787 0.327 . . . . 0.0 111.234 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 131' ' ' LYS . . . . . . . . . . . . . 1.2 mtpp -55.04 -51.0 67.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.099 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 132' ' ' ILE . . . . . . . . . . . . . 5.0 mt -74.2 -38.38 48.02 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 CA-C-O 120.995 0.426 . . . . 0.0 110.708 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 133' ' ' ASN . . . . . . . . . . . . . 60.8 t30 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.889 179.872 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.455 -0.201 0 N-CA-C 110.081 -0.341 . . . . 0.0 110.081 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.48 -38.43 89.83 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 121.098 0.475 . . . . 0.0 109.783 179.169 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 58.0 mm-40 -74.77 -29.05 61.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.094 179.057 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -80.43 -30.34 37.65 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.708 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.7 p -75.47 -36.09 60.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.264 179.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -71.99 -44.9 62.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.096 179.338 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.5 ttt180 -70.13 -24.65 63.22 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.023 178.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.429 ' O ' HD23 ' B' ' 113' ' ' LEU . . . -78.41 -53.99 6.66 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.857 179.073 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.473 ' CD2' ' HB3' ' A' ' 44' ' ' PHE . 0.4 OUTLIER -66.09 -25.53 67.06 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.696 179.54 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -73.12 -44.38 60.32 Favored 'General case' 0 CA--C 1.518 -0.261 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 178.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.42 HD21 ' CE1' ' A' ' 21' ' ' TYR . 5.4 mt -64.36 -29.01 70.09 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.558 178.423 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.403 ' CD2' ' CG1' ' B' ' 92' ' ' VAL . 45.0 mt -66.2 -50.3 64.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.909 179.767 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.471 ' HG3' ' N ' ' A' ' 20' ' ' GLU . 0.3 OUTLIER -61.26 -36.52 80.25 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.707 -179.803 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.471 ' N ' ' HG3' ' A' ' 19' ' ' GLU . 74.2 mm-40 -74.86 -36.1 62.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.872 179.25 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.576 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 9.8 m-30 -66.16 -47.14 75.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.365 179.473 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.442 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 2.6 ptm180 -58.77 -43.52 90.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.799 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.421 ' N ' ' HG3' ' A' ' 22' ' ' ARG . 1.5 m -61.74 -35.11 77.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.466 179.604 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.461 ' HG3' ' HB ' ' B' ' 103' ' ' THR . 8.5 ptmt -99.16 5.29 46.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.464 179.718 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.576 ' HB2' ' O ' ' A' ' 21' ' ' TYR . 0.2 OUTLIER -98.53 -65.39 0.96 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.008 0.433 . . . . 0.0 110.676 -179.778 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.473 ' OG ' ' CG ' ' A' ' 34' ' ' ARG . 0.7 OUTLIER -60.6 -145.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.098 -179.479 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 47.3 27.4 0.87 Allowed 'General case' 0 N--CA 1.452 -0.367 0 CA-C-O 120.836 0.35 . . . . 0.0 110.593 -179.608 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.458 ' CG2' ' N ' ' A' ' 29' ' ' GLU . 14.7 t -150.85 -55.47 0.15 Allowed 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.42 -179.686 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.458 ' N ' ' CG2' ' A' ' 28' ' ' THR . 14.1 pt-20 -177.31 27.78 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.732 -179.352 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.414 ' CB ' HD21 ' A' ' 25' ' ' LEU . 0.6 OUTLIER -143.08 48.07 1.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.03 0.443 . . . . 0.0 111.266 -179.742 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.8 -51.0 71.63 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.249 0.547 . . . . 0.0 110.049 179.433 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -56.25 -46.04 79.78 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.896 179.075 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.482 HD12 ' CB ' ' B' ' 95' ' ' SER . 6.2 tp -53.87 -33.79 57.46 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.871 179.081 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.473 ' CG ' ' OG ' ' A' ' 26' ' ' SER . 6.6 ttp180 -61.63 -46.83 88.14 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 178.604 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.547 ' HA ' ' CG ' ' A' ' 38' ' ' GLU . 0.3 OUTLIER -57.39 -30.46 64.92 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.965 179.669 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.617 ' HB3' ' NE2' ' B' ' 91' ' ' GLN . 0.1 OUTLIER -75.89 -46.6 29.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.114 0.483 . . . . 0.0 110.411 179.67 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.586 ' O ' HG12 ' A' ' 41' ' ' ILE . 56.1 mt -63.47 -40.55 89.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.908 179.501 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.547 ' CG ' ' HA ' ' A' ' 35' ' ' SER . 0.0 OUTLIER -69.8 -38.43 76.62 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.089 -0.505 . . . . 0.0 112.338 -178.954 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.53 ' HG2' ' O ' ' A' ' 36' ' ' SER . 6.1 ptp180 -62.1 -38.92 90.69 Favored 'General case' 0 CA--C 1.519 -0.241 0 C-N-CA 119.955 -0.698 . . . . 0.0 109.499 179.782 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 94.9 t -60.94 -44.31 97.74 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 177.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.586 HG12 ' O ' ' A' ' 37' ' ' ILE . 11.3 mm -50.79 -57.52 2.63 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.577 179.527 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.4 t -56.28 -46.12 79.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.944 0.402 . . . . 0.0 110.795 -179.063 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.454 ' CG2' ' CE2' ' B' ' 129' ' ' TYR . 9.2 mt -59.83 -34.59 56.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.864 179.055 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.473 ' HB3' ' CD2' ' A' ' 15' ' ' LEU . 2.5 m-85 -72.53 -57.13 4.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.503 179.477 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.425 ' HG3' ' O ' ' A' ' 41' ' ' ILE . 32.2 mt-30 -62.7 -26.44 68.67 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.985 -178.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.496 ' CB ' ' CE1' ' B' ' 129' ' ' TYR . 0.2 OUTLIER -37.62 127.41 1.14 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.981 0.419 . . . . 0.0 111.774 -179.331 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -54.4 -24.86 21.53 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.504 -179.709 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.598 ' CD1' ' HA ' ' B' ' 129' ' ' TYR . 0.4 OUTLIER -79.15 -47.38 16.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.828 0.347 . . . . 0.0 110.243 179.766 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.423 ' CE2' HD13 ' A' ' 53' ' ' ILE . 88.1 t80 -50.44 -51.49 46.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.029 -179.399 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 49.6 mm-40 -59.03 -34.22 71.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.026 0.441 . . . . 0.0 110.398 179.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.43 -47.28 86.09 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.533 179.55 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.41 ' CD2' ' HB2' ' B' ' 128' ' ' LEU . 0.3 OUTLIER -60.35 -44.6 95.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.242 179.489 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.423 HD13 ' CE2' ' A' ' 49' ' ' PHE . 10.8 mt -54.7 -37.37 39.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.46 179.432 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -67.52 -39.27 85.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.259 179.34 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.411 HG22 ' CD2' ' D' ' 128' ' ' LEU . 66.6 mt -62.82 -35.08 69.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.726 179.602 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -54.66 -21.06 9.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.765 -179.721 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.429 ' O ' ' CD1' ' A' ' 58' ' ' PHE . 37.2 mt-10 -46.97 -36.83 8.17 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 120.572 0.225 . . . . 0.0 111.265 -179.784 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.429 ' CD1' ' O ' ' A' ' 57' ' ' GLU . 18.9 m-85 -156.75 35.14 0.3 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.614 -179.786 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.419 ' CE2' ' CD1' ' C' ' 63' ' ' LEU . 26.7 m-85 -139.86 94.17 2.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.826 179.615 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -84.91 99.01 10.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.784 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.412 HG22 HG23 ' B' ' 124' ' ' THR . 0.0 OUTLIER -77.55 98.72 2.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.132 179.94 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.409 ' HB ' ' HB2' ' C' ' 60' ' ' GLU . 28.8 m -75.28 128.63 35.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.368 179.67 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.447 ' CD1' ' CE2' ' C' ' 59' ' ' TYR . 0.9 OUTLIER -97.21 120.53 37.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.974 -179.867 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.448 ' CD2' ' N ' ' A' ' 64' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.857 179.691 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . 0.607 ' CD2' ' N ' ' B' ' 82' ' ' LEU . 0.3 OUTLIER . . . . . 0 CA--C 1.52 -0.188 0 CA-C-O 121.099 0.476 . . . . 0.0 110.468 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . 0.756 ' O ' ' HB3' ' B' ' 87' ' ' ARG . 0.0 OUTLIER -63.51 -55.13 26.46 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.14 -179.316 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . 0.569 ' H ' ' CD2' ' B' ' 83' ' ' LEU . . . -71.19 -25.0 62.34 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.391 -179.309 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 85' ' ' ALA . . . . . 0.485 ' CB ' ' HB3' ' B' ' 126' ' ' LEU . . . -52.66 -28.04 19.89 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-O 121.113 0.483 . . . . 0.0 110.036 179.624 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -123.03 -44.09 2.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.902 178.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 87' ' ' ARG . . . . . 0.756 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 16.0 ttt180 -57.64 -50.42 73.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.935 178.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . 0.514 ' HB1' ' CB ' ' B' ' 84' ' ' ALA . . . -58.04 -48.4 80.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.109 -0.951 . . . . 0.0 111.8 -179.394 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 89' ' ' VAL . . . . . 0.47 ' CG1' ' HB3' ' B' ' 117' ' ' PHE . 24.8 t -62.19 -30.21 48.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.223 -179.725 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 73.7 m -75.24 -30.46 60.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.287 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 91' ' ' GLN . . . . . 0.617 ' NE2' ' HB3' ' A' ' 36' ' ' SER . 0.8 OUTLIER -68.65 -54.0 19.02 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 179.519 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 92' ' ' VAL . . . . . 0.414 HG22 ' HA ' ' A' ' 37' ' ' ILE . 3.6 t -64.28 -27.94 43.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.766 178.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 93' ' ' LEU . . . . . 0.666 ' CD2' ' HA ' ' B' ' 114' ' ' HIS . 1.5 mt -63.63 -42.54 98.16 Favored 'General case' 0 N--CA 1.457 -0.084 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.48 179.688 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.37 -27.96 31.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.387 -179.409 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 95' ' ' SER . . . . . 0.482 ' CB ' HD12 ' A' ' 33' ' ' LEU . 4.5 p -80.05 -28.54 39.24 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -179.345 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . 0.506 ' O ' ' HB ' ' B' ' 99' ' ' ILE . 0.2 OUTLIER -36.04 -51.12 0.72 Allowed 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 112.455 0.539 . . . . 0.0 112.455 -179.113 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -69.0 -31.65 70.64 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.034 -179.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' B' ' 95' ' ' SER . 0.2 OUTLIER -68.73 -34.27 75.33 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.045 -1.095 . . . . 0.0 108.045 177.706 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 99' ' ' ILE . . . . . 0.506 ' HB ' ' O ' ' B' ' 96' ' ' LEU . 12.8 mt -61.99 -49.5 83.91 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.883 0 CA-C-N 114.352 -1.295 . . . . 0.0 109.984 178.493 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 100' ' ' HIS . . . . . 0.503 ' HB2' ' CD1' ' B' ' 110' ' ' LEU . 1.6 t-160 -56.37 -34.16 66.4 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 178.187 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -56.79 -45.03 82.42 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.416 -1.266 . . . . 0.0 111.786 179.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 102' ' ' LEU . . . . . 0.424 ' CD1' HD23 ' A' ' 25' ' ' LEU . 0.4 OUTLIER -118.48 27.08 9.15 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.768 -177.329 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 103' ' ' THR . . . . . 0.461 ' HB ' ' HG3' ' A' ' 24' ' ' LYS . 31.8 p -141.57 -33.83 0.5 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.702 0.287 . . . . 0.0 111.365 179.521 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 68.42 28.42 6.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.958 0.408 . . . . 0.0 110.448 -179.608 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 105' ' ' SER . . . . . 0.403 ' OG ' ' CE1' ' A' ' 21' ' ' TYR . 6.0 m -53.74 -76.07 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.754 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 1.1 m 168.63 105.88 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.493 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -47.72 -34.9 8.89 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.911 0.386 . . . . 0.0 110.657 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 5.3 mmtt -65.91 -46.22 79.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.205 0.526 . . . . 0.0 109.711 178.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -62.87 -36.99 85.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.836 178.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 110' ' ' LEU . . . . . 0.503 ' CD1' ' HB2' ' B' ' 100' ' ' HIS . 20.3 mt -60.93 -50.64 72.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.922 179.107 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.94 -43.07 66.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.873 179.732 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -62.03 -38.42 88.64 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.801 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 113' ' ' LEU . . . . . 0.429 HD23 ' O ' ' A' ' 14' ' ' ALA . 0.4 OUTLIER -75.51 -34.46 60.82 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.156 -179.768 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 114' ' ' HIS . . . . . 0.666 ' HA ' ' CD2' ' B' ' 93' ' ' LEU . 98.1 m-70 -60.91 -37.11 81.11 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 178.591 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.81 -37.6 64.86 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 178.508 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 116' ' ' VAL . . . . . 0.411 HG13 ' CB ' ' A' ' 14' ' ' ALA . 47.5 t -59.05 -23.77 25.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.234 -0.894 . . . . 0.0 109.96 178.47 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 117' ' ' PHE . . . . . 0.47 ' HB3' ' CG1' ' B' ' 89' ' ' VAL . 22.2 m-85 -105.06 -29.88 10.12 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.365 -179.782 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 118' ' ' GLN . . . . . 0.43 ' NE2' ' O ' ' B' ' 114' ' ' HIS . 0.0 OUTLIER -63.43 -29.47 70.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.236 -179.595 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -46.34 131.56 10.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.45 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -72.77 -46.49 53.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.731 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -55.95 -34.71 65.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.694 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . 0.414 ' HA ' ' CD1' ' B' ' 125' ' ' LEU . 44.3 tp -56.35 -49.16 75.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.307 179.703 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 123' ' ' HIS . . . . . 0.654 ' HA ' ' CD1' ' B' ' 126' ' ' LEU . 46.3 m170 -53.07 -26.05 14.84 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.201 179.106 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 124' ' ' THR . . . . . 0.414 HG23 ' CD1' ' B' ' 128' ' ' LEU . 5.7 m -77.54 -34.67 53.8 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.042 179.298 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . 0.414 ' CD1' ' HA ' ' B' ' 122' ' ' LEU . 13.1 mt -65.98 -38.95 89.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.779 179.694 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . 0.654 ' CD1' ' HA ' ' B' ' 123' ' ' HIS . 0.3 OUTLIER -73.54 -46.46 47.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.431 -179.64 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -56.6 -51.48 68.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.995 0.426 . . . . 0.0 110.899 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . 0.424 HD23 ' CD2' ' C' ' 59' ' ' TYR . 9.9 mt -71.14 -29.04 64.73 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.331 179.495 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 129' ' ' TYR . . . . . 0.598 ' HA ' ' CD1' ' A' ' 48' ' ' LEU . 0.2 OUTLIER -55.19 -53.84 50.93 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.164 -179.239 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 130' ' ' ASP . . . . . 0.447 ' HB2' HD22 ' B' ' 82' ' ' LEU . 2.4 m-20 -77.65 -31.04 52.45 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.156 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.94 -52.02 64.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.877 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 3.0 mt -76.15 -39.13 35.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.636 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 133' ' ' ASN . . . . . . . . . . . . . 33.7 t30 -64.19 -28.6 69.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.92 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 134' ' ' THR . . . . . 0.415 ' O ' ' CG2' ' B' ' 134' ' ' THR . 61.6 m -95.51 23.01 6.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.289 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 47.03 26.68 0.64 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.592 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 -179.479 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 7' ' ' ARG . . . . . . . . . . . . . 12.2 ttm105 . . . . . 0 CA--C 1.521 -0.173 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.93 -42.6 94.53 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.005 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 51.3 mm-40 -73.84 -30.83 62.9 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.944 179.018 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.47 -29.72 52.81 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.367 179.442 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 1.9 p -71.4 -43.62 66.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.391 179.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.78 -42.65 85.67 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-O 120.919 0.39 . . . . 0.0 110.272 179.541 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 -67.81 -26.19 65.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.155 179.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 14' ' ' ALA . . . . . 0.496 ' O ' HD21 ' D' ' 113' ' ' LEU . . . -78.64 -54.8 5.74 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.679 178.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 15' ' ' LEU . . . . . 0.567 ' HB3' ' CD2' ' C' ' 44' ' ' PHE . 0.3 OUTLIER -64.37 -27.14 68.81 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.612 179.227 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' C' C ' 16' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -70.94 -45.41 64.23 Favored 'General case' 0 C--O 1.234 0.268 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 178.196 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . 0.448 HD22 ' CE1' ' C' ' 21' ' ' TYR . 4.0 mt -63.73 -35.37 80.36 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.135 -0.938 . . . . 0.0 109.177 178.171 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . 0.546 ' HB3' HG23 ' C' ' 37' ' ' ILE . 13.2 mt -62.19 -42.25 99.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 114.966 -1.015 . . . . 0.0 110.752 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -62.4 -48.17 80.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.11 0.481 . . . . 0.0 110.942 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 20' ' ' GLU . . . . . 0.453 ' O ' ' HG3' ' C' ' 24' ' ' LYS . 6.1 mt-10 -70.86 -31.62 68.37 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.145 179.744 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 21' ' ' TYR . . . . . 0.506 ' O ' ' HB2' ' C' ' 25' ' ' LEU . 8.4 m-30 -69.93 -46.16 65.95 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.818 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 22' ' ' ARG . . . . . 0.471 ' HB3' ' HB ' ' C' ' 37' ' ' ILE . 2.8 ptm180 -59.87 -39.81 86.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.87 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 23' ' ' SER . . . . . 0.437 ' N ' ' HG3' ' C' ' 22' ' ' ARG . 74.2 p -61.9 -46.23 90.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 24' ' ' LYS . . . . . 0.453 ' HG3' ' O ' ' C' ' 20' ' ' GLU . 45.7 mtpt -74.43 -31.46 62.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.312 0.577 . . . . 0.0 110.41 179.473 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 25' ' ' LEU . . . . . 0.575 HD12 ' HB3' ' C' ' 33' ' ' LEU . 0.3 OUTLIER -56.78 -73.66 0.06 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.168 -0.924 . . . . 0.0 111.726 -179.445 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' C' C ' 26' ' ' SER . . . . . 0.502 ' HB3' ' HB3' ' C' ' 34' ' ' ARG . 24.4 p -58.92 -157.83 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.295 -179.138 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 27' ' ' GLN . . . . . 0.419 ' OE1' ' NH1' ' C' ' 31' ' ' ARG . 2.8 mp0 59.01 24.21 12.42 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.504 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 28' ' ' THR . . . . . 0.525 ' CG2' ' H ' ' C' ' 29' ' ' GLU . 6.8 t -148.74 -60.24 0.23 Allowed 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 121.088 0.471 . . . . 0.0 111.702 -179.017 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 29' ' ' GLU . . . . . 0.525 ' H ' ' CG2' ' C' ' 28' ' ' THR . 12.7 pt-20 -175.33 27.99 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.394 -179.102 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 30' ' ' ASP . . . . . 0.44 ' HB3' ' HB3' ' C' ' 33' ' ' LEU . 1.6 m-20 -152.29 56.84 0.83 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.159 0.504 . . . . 0.0 110.726 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . 0.485 ' O ' ' HG2' ' C' ' 34' ' ' ARG . 10.0 mmm180 -68.86 -43.17 75.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.405 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 21.6 tp60 -63.74 -34.14 77.22 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.178 0.513 . . . . 0.0 109.804 179.015 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 33' ' ' LEU . . . . . 0.575 ' HB3' HD12 ' C' ' 25' ' ' LEU . 0.1 OUTLIER -62.53 -48.96 77.25 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.639 179.625 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' C' C ' 34' ' ' ARG . . . . . 0.502 ' HB3' ' HB3' ' C' ' 26' ' ' SER . 0.7 OUTLIER -60.85 -31.87 71.29 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 179.094 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.15 -39.81 93.85 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.695 178.566 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 36' ' ' SER . . . . . 0.484 ' O ' ' CG ' ' C' ' 39' ' ' ARG . 2.1 m -62.4 -43.6 98.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.539 0.685 . . . . 0.0 109.835 178.814 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 37' ' ' ILE . . . . . 0.578 ' O ' HG12 ' C' ' 41' ' ' ILE . 65.7 mt -60.97 -37.2 76.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.744 179.119 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -60.92 -51.77 67.87 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.525 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 39' ' ' ARG . . . . . 0.51 ' HG3' ' HB3' ' D' ' 88' ' ' ALA . 2.6 ptp180 -55.1 -37.8 67.3 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . 0.403 ' CG1' ' CD1' ' C' ' 18' ' ' LEU . 89.5 t -64.83 -33.64 64.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.757 178.395 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 41' ' ' ILE . . . . . 0.578 HG12 ' O ' ' C' ' 37' ' ' ILE . 25.6 mm -65.22 -59.62 3.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 179.396 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 23.9 t -55.6 -44.03 76.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.925 0.393 . . . . 0.0 110.653 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 43' ' ' ILE . . . . . . . . . . . . . 13.7 mt -59.84 -35.83 62.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.803 179.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 44' ' ' PHE . . . . . 0.567 ' CD2' ' HB3' ' C' ' 15' ' ' LEU . 2.6 m-85 -73.12 -58.48 3.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.303 178.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 45' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -63.03 -21.68 66.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.72 -179.205 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 46' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -39.76 149.44 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.953 0.406 . . . . 0.0 111.814 -179.269 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -72.79 -28.4 62.56 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.388 -179.464 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . 0.534 ' CD1' ' HA ' ' D' ' 129' ' ' TYR . 0.4 OUTLIER -79.2 -47.46 15.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.02 0.438 . . . . 0.0 110.212 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' C' C ' 49' ' ' PHE . . . . . 0.424 ' CE2' HD11 ' C' ' 53' ' ' ILE . 85.0 t80 -51.22 -55.71 16.65 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.297 -179.539 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 -54.75 -41.9 70.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.996 0.427 . . . . 0.0 110.485 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 51' ' ' ALA . . . . . 0.403 ' O ' HG12 ' C' ' 55' ' ' ILE . . . -58.76 -49.18 78.62 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.603 179.576 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 52' ' ' LEU . . . . . 0.407 HD11 ' HB2' ' D' ' 128' ' ' LEU . 0.5 OUTLIER -57.95 -45.64 86.31 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.39 179.388 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' C' C ' 53' ' ' ILE . . . . . 0.431 HD13 HG21 ' C' ' 53' ' ' ILE . 35.6 mt -51.16 -40.09 21.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 121.081 0.467 . . . . 0.0 110.087 178.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -66.88 -34.34 77.58 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.249 179.193 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 55' ' ' ILE . . . . . 0.424 ' CG2' ' HB2' ' C' ' 59' ' ' TYR . 37.3 mm -56.0 -40.83 65.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.852 179.678 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 56' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -52.71 -20.75 3.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.648 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 57' ' ' GLU . . . . . 0.404 ' O ' ' CG ' ' C' ' 58' ' ' PHE . 2.4 mm-40 -42.96 -46.61 5.49 Favored 'General case' 0 N--CA 1.462 0.169 0 N-CA-C 111.712 0.264 . . . . 0.0 111.712 -179.777 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 58' ' ' PHE . . . . . 0.404 ' CG ' ' O ' ' C' ' 57' ' ' GLU . 90.3 m-85 -157.57 27.58 0.28 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.762 0.315 . . . . 0.0 111.645 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 59' ' ' TYR . . . . . 0.447 ' CE2' ' CD1' ' A' ' 63' ' ' LEU . 42.0 m-85 -126.27 75.42 1.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.248 179.43 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 60' ' ' GLU . . . . . 0.409 ' HB2' ' HB ' ' A' ' 62' ' ' THR . 0.6 OUTLIER -63.93 96.21 0.13 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.813 0.34 . . . . 0.0 111.067 -179.557 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' C' C ' 61' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -72.93 98.96 0.94 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.188 0 CA-C-O 120.8 0.333 . . . . 0.0 110.906 179.695 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 62' ' ' THR . . . . . . . . . . . . . 22.3 m -83.66 117.03 22.92 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.65 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 63' ' ' LEU . . . . . 0.419 ' CD1' ' CE2' ' A' ' 59' ' ' TYR . 0.1 OUTLIER -89.93 129.62 36.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.786 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' C' C ' 64' ' ' LEU . . . . . 0.589 ' CD2' ' N ' ' C' ' 64' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.472 -179.805 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 82' ' ' LEU . . . . . 0.421 ' HB2' ' CG ' ' D' ' 130' ' ' ASP . 6.7 tt . . . . . 0 N--CA 1.454 -0.269 0 CA-C-O 120.852 0.358 . . . . 0.0 111.35 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 83' ' ' LEU . . . . . 0.676 ' O ' ' HB3' ' D' ' 87' ' ' ARG . 0.0 OUTLIER -79.09 -50.93 10.26 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.998 -178.924 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' D' D ' 84' ' ' ALA . . . . . 0.776 ' O ' ' HB1' ' D' ' 88' ' ' ALA . . . -74.51 -23.26 58.81 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.297 -179.459 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 85' ' ' ALA . . . . . 0.515 ' CB ' ' HB3' ' D' ' 126' ' ' LEU . . . -51.99 -25.71 8.97 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.529 -0.468 . . . . 0.0 109.875 179.316 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 86' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -124.33 -35.36 2.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.141 178.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 87' ' ' ARG . . . . . 0.676 ' HB3' ' O ' ' D' ' 83' ' ' LEU . 17.0 ttt180 -71.92 -38.83 69.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.703 179.655 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 88' ' ' ALA . . . . . 0.776 ' HB1' ' O ' ' D' ' 84' ' ' ALA . . . -73.41 -36.88 66.07 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.037 -179.552 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 89' ' ' VAL . . . . . 0.478 ' CG1' ' HB3' ' D' ' 117' ' ' PHE . 45.8 t -76.27 -37.56 32.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.721 179.635 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 38.4 m -76.22 -40.57 51.82 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.439 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 91' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -66.25 -46.52 76.83 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 121.125 0.488 . . . . 0.0 109.871 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 92' ' ' VAL . . . . . . . . . . . . . 60.0 t -68.62 -27.76 37.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.394 178.008 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 93' ' ' LEU . . . . . 0.583 ' CD2' ' HA ' ' D' ' 114' ' ' HIS . 1.7 mt -62.12 -41.18 97.99 Favored 'General case' 0 C--O 1.231 0.089 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.297 179.733 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.19 -29.84 34.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.225 -179.625 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 95' ' ' SER . . . . . 0.417 ' HB3' ' CD2' ' C' ' 33' ' ' LEU . 20.0 m -79.9 -24.58 41.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.289 -0.414 . . . . 0.0 112.067 -179.344 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 96' ' ' LEU . . . . . 0.512 ' O ' ' HB ' ' D' ' 99' ' ' ILE . 0.2 OUTLIER -38.75 -49.84 1.62 Allowed 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -179.331 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -64.83 -32.05 73.56 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.564 -179.188 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 98' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.05 -35.96 77.17 Favored 'General case' 0 C--O 1.237 0.405 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 178.018 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 99' ' ' ILE . . . . . 0.517 HG12 HD11 ' C' ' 25' ' ' LEU . 20.3 mt -60.2 -48.52 87.78 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.883 0 CA-C-N 114.283 -1.326 . . . . 0.0 110.254 178.76 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 100' ' ' HIS . . . . . 0.517 ' HB2' ' CD1' ' D' ' 110' ' ' LEU . 1.9 t-160 -57.64 -35.7 70.86 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 178.215 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 101' ' ' ALA . . . . . . . . . . . . . . . -53.66 -43.05 68.5 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 114.662 -1.154 . . . . 0.0 111.406 179.156 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 102' ' ' LEU . . . . . 0.417 ' CD1' HD23 ' C' ' 25' ' ' LEU . 0.3 OUTLIER -118.04 22.23 12.34 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -177.679 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' D' D ' 103' ' ' THR . . . . . 0.451 ' OG1' ' O ' ' D' ' 99' ' ' ILE . 42.7 p -140.47 -10.49 1.07 Allowed 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 55.23 23.73 5.73 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.917 0.389 . . . . 0.0 110.759 -179.397 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 105' ' ' SER . . . . . 0.469 ' HB3' ' CE1' ' C' ' 21' ' ' TYR . 0.2 OUTLIER -58.92 -19.58 43.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.161 179.77 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' D' D ' 106' ' ' SER . . . . . 0.413 ' CB ' ' O ' ' D' ' 105' ' ' SER . 4.3 t 81.1 121.09 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.465 -179.593 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -53.15 -23.75 9.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.289 -179.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 1.4 mmtp -60.54 -55.61 31.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.133 0.492 . . . . 0.0 110.162 179.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 109' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -62.27 -36.71 82.92 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.552 178.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 110' ' ' LEU . . . . . 0.517 ' CD1' ' HB2' ' D' ' 100' ' ' HIS . 19.1 mt -60.93 -45.54 94.3 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.779 178.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 111' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -54.64 -45.93 73.84 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.686 179.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 112' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -60.13 -38.94 84.57 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.668 179.751 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 113' ' ' LEU . . . . . 0.496 HD21 ' O ' ' C' ' 14' ' ' ALA . 0.4 OUTLIER -76.24 -34.94 59.2 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.179 -179.742 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' D' D ' 114' ' ' HIS . . . . . 0.583 ' HA ' ' CD2' ' D' ' 93' ' ' LEU . 97.0 m-70 -59.93 -34.77 73.67 Favored 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 178.185 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 115' ' ' SER . . . . . . . . . . . . . 3.7 t -74.24 -38.32 63.54 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 178.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 116' ' ' VAL . . . . . 0.411 ' O ' ' CD2' ' D' ' 122' ' ' LEU . 14.0 t -59.41 -23.83 26.44 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.73 178.511 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 117' ' ' PHE . . . . . 0.478 ' HB3' ' CG1' ' D' ' 89' ' ' VAL . 24.2 m-85 -103.42 -30.36 10.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.157 -179.711 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 118' ' ' GLN . . . . . 0.421 ' NE2' ' O ' ' D' ' 114' ' ' HIS . 0.0 OUTLIER -65.26 -30.14 70.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.028 -179.607 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -45.43 113.04 0.52 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.47 -179.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 120' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -58.17 -35.48 71.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.696 179.793 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 121' ' ' HIS . . . . . . . . . . . . . 16.0 m80 -62.84 -35.54 80.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.647 179.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 122' ' ' LEU . . . . . 0.411 ' CD2' ' O ' ' D' ' 116' ' ' VAL . 44.3 tp -56.52 -49.1 75.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.641 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 123' ' ' HIS . . . . . 0.5 ' HA ' ' CD1' ' D' ' 126' ' ' LEU . 11.7 m170 -55.38 -23.83 26.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.249 179.159 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 124' ' ' THR . . . . . 0.417 ' HA ' ' OD2' ' D' ' 127' ' ' ASP . 2.3 m -76.31 -38.72 55.65 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 178.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 125' ' ' LEU . . . . . 0.402 ' CD1' ' HA ' ' D' ' 122' ' ' LEU . 2.8 mt -70.79 -28.64 64.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.748 178.568 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 126' ' ' LEU . . . . . 0.515 ' HB3' ' CB ' ' D' ' 85' ' ' ALA . 11.5 mt -73.6 -50.76 19.58 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.648 -179.483 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 127' ' ' ASP . . . . . 0.417 ' OD2' ' HA ' ' D' ' 124' ' ' THR . 1.3 p30 -64.86 -38.89 92.49 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 179.087 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 128' ' ' LEU . . . . . 0.415 HD22 ' CD2' ' A' ' 59' ' ' TYR . 44.2 mt -73.65 -29.7 62.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.855 178.522 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 129' ' ' TYR . . . . . 0.534 ' HA ' ' CD1' ' C' ' 48' ' ' LEU . 7.8 t80 -55.7 -52.34 64.22 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.579 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 130' ' ' ASP . . . . . 0.421 ' CG ' ' HB2' ' D' ' 82' ' ' LEU . 11.4 t70 -76.98 -31.26 56.39 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.691 -0.404 . . . . 0.0 111.323 179.514 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.44 -50.45 67.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.038 -179.522 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 132' ' ' ILE . . . . . . . . . . . . . 5.0 mt -78.77 -38.66 21.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.827 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 133' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 . . . . . 0 C--N 1.326 -0.415 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.119 -179.886 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.209 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.54 -36.8 83.78 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 121.145 0.497 . . . . 0.0 109.832 179.047 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 59.2 mm-40 -76.71 -28.65 55.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.219 179.199 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -78.97 -32.62 45.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.446 179.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 79.3 p -72.76 -41.36 65.17 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.426 179.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -69.55 -40.19 76.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.323 179.583 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.6 ttm180 -73.31 -24.63 60.42 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.074 179.157 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.483 ' O ' HD21 ' B' ' 113' ' ' LEU . . . -78.6 -51.28 10.13 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.104 179.155 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.48 ' CD2' ' HB3' ' A' ' 44' ' ' PHE . 0.4 OUTLIER -67.76 -25.05 65.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.645 179.579 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.3 m170 -72.99 -45.85 55.56 Favored 'General case' 0 CA--C 1.518 -0.27 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 178.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.455 ' CD2' ' CE1' ' A' ' 21' ' ' TYR . 3.0 mt -63.35 -35.5 80.59 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.227 178.352 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.434 ' CD2' ' CG1' ' B' ' 92' ' ' VAL . 31.8 mt -63.36 -40.95 98.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.133 -0.94 . . . . 0.0 110.503 179.517 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -64.04 -38.61 91.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.489 179.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.65 -36.95 62.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.225 179.679 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.61 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 11.8 m-30 -67.52 -46.47 72.74 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.925 179.561 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.415 ' CG ' ' CG ' ' A' ' 34' ' ' ARG . 4.2 ttt180 -55.58 -51.33 67.47 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.792 179.531 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 72.2 p -57.96 -36.98 73.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.115 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.407 ' HG3' ' HB ' ' B' ' 103' ' ' THR . 8.4 ptmt -96.09 4.0 52.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.702 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.61 ' HB2' ' O ' ' A' ' 21' ' ' TYR . 0.2 OUTLIER -94.05 -66.09 0.94 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.002 0.429 . . . . 0.0 111.149 -179.751 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.506 ' HB3' ' HB2' ' A' ' 34' ' ' ARG . 1.5 p -60.41 -157.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.144 -179.187 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.423 ' OE1' ' NH1' ' A' ' 31' ' ' ARG . 1.3 mp0 59.62 28.14 17.5 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 120.964 0.412 . . . . 0.0 110.459 -179.762 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.536 ' CG2' ' H ' ' A' ' 29' ' ' GLU . 3.7 t -150.3 -63.51 0.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.379 -179.546 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.536 ' H ' ' CG2' ' A' ' 28' ' ' THR . 26.8 pt-20 -170.01 27.66 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.68 -179.289 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.503 ' HB2' HD23 ' A' ' 25' ' ' LEU . 4.8 m-20 -146.74 56.33 1.14 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.999 0.428 . . . . 0.0 110.783 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.423 ' NH1' ' OE1' ' A' ' 27' ' ' GLN . 12.9 mmm180 -66.23 -48.27 71.11 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.143 179.781 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -58.72 -48.94 79.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.799 178.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.421 HD13 ' CB ' ' B' ' 95' ' ' SER . 9.4 tp -53.51 -35.51 60.72 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.032 178.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.506 ' HB2' ' HB3' ' A' ' 26' ' ' SER . 6.7 ttp180 -60.67 -43.96 97.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.722 178.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.6 m -60.67 -32.65 71.84 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.47 -0.787 . . . . 0.0 110.456 179.234 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.421 ' CB ' ' NE2' ' B' ' 91' ' ' GLN . 61.0 m -66.41 -51.29 58.5 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.93 0.395 . . . . 0.0 110.628 179.695 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.58 ' O ' HG12 ' A' ' 41' ' ' ILE . 6.4 mt -56.55 -40.58 69.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.268 0.556 . . . . 0.0 109.83 179.152 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.81 -52.59 64.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.042 -0.981 . . . . 0.0 111.909 -179.636 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.677 ' HG3' ' HB2' ' B' ' 88' ' ' ALA . 3.0 ptp180 -55.77 -34.59 65.38 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.066 -179.649 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.444 ' CG1' ' CE2' ' A' ' 44' ' ' PHE . 98.5 t -66.83 -34.42 69.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 178.17 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.58 HG12 ' O ' ' A' ' 37' ' ' ILE . 12.4 mm -64.96 -61.07 1.87 Allowed 'Isoleucine or valine' 0 C--O 1.227 -0.131 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.05 179.232 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.3 p -54.97 -47.33 74.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.626 -179.423 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.484 HD11 HG22 ' A' ' 43' ' ' ILE . 14.2 mt -59.88 -32.01 48.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.738 178.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.48 ' HB3' ' CD2' ' A' ' 15' ' ' LEU . 0.5 OUTLIER -72.59 -58.59 3.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.819 178.926 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.412 ' HG3' ' O ' ' A' ' 41' ' ' ILE . 22.3 mt-30 -66.63 -17.23 64.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.515 -179.563 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.456 ' CB ' ' CE1' ' B' ' 129' ' ' TYR . 1.2 m -38.81 127.02 1.56 Allowed 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.94 0.4 . . . . 0.0 111.623 -179.53 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -55.04 -29.74 58.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.295 -179.806 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.486 ' CD2' ' HB ' ' B' ' 132' ' ' ILE . 1.3 tp -79.84 -47.91 14.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.71 0.291 . . . . 0.0 110.803 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.43 ' CE1' HD23 ' B' ' 126' ' ' LEU . 79.7 t80 -50.99 -51.98 47.37 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.865 -179.677 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -59.28 -35.83 74.47 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.93 0.395 . . . . 0.0 110.427 179.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.79 -43.67 90.52 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.321 179.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.8 mt -62.24 -44.1 97.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.103 179.206 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.421 HD12 ' CE2' ' A' ' 49' ' ' PHE . 53.5 mt -52.09 -41.99 33.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.558 179.391 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -67.24 -38.1 84.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.411 179.398 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.42 ' CG2' ' HB2' ' A' ' 59' ' ' TYR . 68.3 mt -61.59 -41.51 90.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.641 179.564 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -51.92 -23.44 4.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.609 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.405 ' O ' ' CD1' ' A' ' 58' ' ' PHE . 68.4 mt-10 -47.1 -36.82 8.77 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.692 -179.685 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.405 ' CD1' ' O ' ' A' ' 57' ' ' GLU . 61.2 m-85 -154.28 30.08 0.44 Allowed 'General case' 0 C--O 1.234 0.251 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 -179.529 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.458 ' CD2' HD22 ' D' ' 128' ' ' LEU . 57.5 m-85 -134.09 75.39 1.59 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.563 179.477 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.26 100.35 0.23 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.8 -179.743 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -72.83 96.94 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.966 0.412 . . . . 0.0 110.684 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.409 ' HB ' ' CB ' ' C' ' 60' ' ' GLU . 1.7 m -72.34 116.95 13.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.975 -179.788 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.433 ' CD1' ' CE2' ' C' ' 59' ' ' TYR . 2.9 tp -88.27 118.48 27.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.337 179.423 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.415 ' HG ' ' HA ' ' C' ' 58' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.341 -179.71 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . 0.59 ' HA ' ' CG ' ' B' ' 130' ' ' ASP . 8.8 tt . . . . . 0 N--CA 1.45 -0.434 0 CA-C-O 120.743 0.306 . . . . 0.0 111.579 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . 0.642 ' O ' ' HB3' ' B' ' 87' ' ' ARG . 0.0 OUTLIER -72.44 -49.45 33.34 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.007 0.432 . . . . 0.0 110.677 -179.578 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . 0.578 ' O ' ' HB3' ' B' ' 88' ' ' ALA . . . -67.98 -25.6 65.51 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.58 -178.785 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 85' ' ' ALA . . . . . 0.439 ' CB ' ' HB3' ' B' ' 126' ' ' LEU . . . -52.5 -24.71 8.54 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.494 -0.482 . . . . 0.0 110.198 179.383 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -126.02 -44.81 1.75 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.991 178.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 87' ' ' ARG . . . . . 0.642 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 7.7 ttt85 -57.9 -47.46 82.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.355 179.139 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . 0.677 ' HB2' ' HG3' ' A' ' 39' ' ' ARG . . . -56.36 -46.25 80.1 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.406 -0.816 . . . . 0.0 111.373 -179.267 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 89' ' ' VAL . . . . . 0.506 ' O ' ' HB2' ' B' ' 93' ' ' LEU . 25.4 t -69.61 -30.17 44.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.074 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 13.4 t -74.7 -35.5 62.73 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.79 -179.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 91' ' ' GLN . . . . . 0.584 ' HG3' ' O ' ' B' ' 87' ' ' ARG . 6.2 mt-30 -68.69 -52.91 25.85 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-O 121.2 0.524 . . . . 0.0 109.633 179.741 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 92' ' ' VAL . . . . . 0.434 ' CG1' ' CD2' ' A' ' 18' ' ' LEU . 12.5 t -63.55 -27.83 43.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.086 179.364 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 93' ' ' LEU . . . . . 0.568 HD23 ' HA ' ' B' ' 114' ' ' HIS . 1.8 mt -66.54 -43.28 85.53 Favored 'General case' 0 C--N 1.337 0.041 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.448 179.667 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.57 -33.89 35.77 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.81 -179.73 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 95' ' ' SER . . . . . 0.421 ' CB ' HD13 ' A' ' 33' ' ' LEU . 8.2 m -79.96 -22.91 42.05 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.568 -179.773 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . 0.459 ' O ' ' HB ' ' B' ' 99' ' ' ILE . 0.2 OUTLIER -38.01 -52.59 1.39 Allowed 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -179.358 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -70.11 -28.32 65.29 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.971 0.415 . . . . 0.0 111.022 -179.356 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' B' ' 95' ' ' SER . 0.1 OUTLIER -69.82 -34.79 74.15 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.796 -1.186 . . . . 0.0 107.796 177.755 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 99' ' ' ILE . . . . . 0.48 HG12 ' CD1' ' A' ' 25' ' ' LEU . 39.8 mt -62.45 -49.79 82.45 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.777 0 CA-C-N 114.446 -1.252 . . . . 0.0 109.88 178.595 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 100' ' ' HIS . . . . . 0.507 ' HB2' ' CD1' ' B' ' 110' ' ' LEU . 1.9 t-160 -56.57 -33.76 66.46 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 178.231 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -56.65 -45.61 81.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 114.459 -1.246 . . . . 0.0 111.899 179.419 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 102' ' ' LEU . . . . . 0.431 ' CD1' HD22 ' A' ' 25' ' ' LEU . 0.4 OUTLIER -117.37 26.5 9.7 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.615 -0.721 . . . . 0.0 112.684 -177.361 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 103' ' ' THR . . . . . 0.448 HG22 ' O ' ' B' ' 99' ' ' ILE . 33.9 p -140.64 -31.98 0.6 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.717 0.294 . . . . 0.0 111.534 179.677 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 13.1 t70 68.45 27.47 6.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.905 0.384 . . . . 0.0 110.397 -179.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 105' ' ' SER . . . . . 0.409 ' OG ' ' CE1' ' A' ' 21' ' ' TYR . 3.3 m -54.31 -76.78 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.724 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 167.76 104.01 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.56 179.774 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -47.97 -32.86 6.99 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.92 0.39 . . . . 0.0 110.637 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.56 -46.61 72.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.629 178.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -63.05 -36.93 85.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.721 178.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 110' ' ' LEU . . . . . 0.507 ' CD1' ' HB2' ' B' ' 100' ' ' HIS . 29.5 mt -60.26 -39.78 88.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.899 179.049 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.8 -43.68 95.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.559 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -58.44 -38.75 78.11 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.416 179.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 113' ' ' LEU . . . . . 0.483 HD21 ' O ' ' A' ' 14' ' ' ALA . 0.5 OUTLIER -76.11 -31.28 58.6 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.944 -179.766 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 114' ' ' HIS . . . . . 0.568 ' HA ' HD23 ' B' ' 93' ' ' LEU . 0.0 OUTLIER -64.92 -29.77 70.73 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 178.834 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 115' ' ' SER . . . . . 0.433 ' N ' ' CD2' ' B' ' 114' ' ' HIS . 0.3 OUTLIER -79.2 -38.49 35.64 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 177.8 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 16.5 t -61.99 -23.73 32.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.592 178.07 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 117' ' ' PHE . . . . . 0.504 ' HB3' ' CG1' ' B' ' 89' ' ' VAL . 17.9 m-85 -99.98 -30.54 11.94 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.286 -179.692 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 118' ' ' GLN . . . . . 0.41 ' OE1' ' ND1' ' B' ' 114' ' ' HIS . 0.0 OUTLIER -66.94 -29.4 69.26 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.415 -179.531 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -46.66 114.19 0.78 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.419 -179.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.02 -38.33 85.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.548 179.758 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -59.64 -34.32 72.65 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.617 179.704 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 47.7 tp -56.16 -46.29 79.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.504 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 123' ' ' HIS . . . . . 0.481 ' HA ' ' CD1' ' B' ' 126' ' ' LEU . 38.7 m170 -57.58 -25.33 59.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.07 179.078 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 1.8 m -73.74 -37.92 64.92 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.179 -0.675 . . . . 0.0 109.179 178.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 4.3 mt -71.32 -32.32 68.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.602 178.469 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . 0.481 ' CD1' ' HA ' ' B' ' 123' ' ' HIS . 7.5 mt -73.34 -50.62 21.06 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.145 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.22 -53.04 62.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.095 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . 0.444 ' CD2' ' CD2' ' C' ' 59' ' ' TYR . 14.3 mt -60.85 -39.06 87.67 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.638 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 129' ' ' TYR . . . . . 0.456 ' CE1' ' CB ' ' A' ' 46' ' ' SER . 1.0 OUTLIER -56.34 -40.94 75.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.132 0.491 . . . . 0.0 110.354 179.582 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 130' ' ' ASP . . . . . 0.59 ' CG ' ' HA ' ' B' ' 82' ' ' LEU . 0.3 OUTLIER -76.23 -40.27 52.45 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.196 179.93 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 24.8 mmtt -54.56 -54.12 45.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.358 -179.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 132' ' ' ILE . . . . . 0.486 ' HB ' ' CD2' ' A' ' 48' ' ' LEU . 1.8 mt -72.87 -35.86 50.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.912 0.387 . . . . 0.0 110.708 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 133' ' ' ASN . . . . . 0.451 ' HB2' HD23 ' A' ' 48' ' ' LEU . 48.0 t-20 -63.69 -25.88 68.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.818 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 134' ' ' THR . . . . . 0.428 ' O ' ' HG3' ' B' ' 135' ' ' LYS . 58.2 m -94.39 28.81 2.43 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.19 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 135' ' ' LYS . . . . . 0.428 ' HG3' ' O ' ' B' ' 134' ' ' THR . 1.6 pttp 41.81 32.08 0.25 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.696 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 10.8 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.98 179.913 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' C' C ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.13 -36.31 83.2 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.2 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -75.74 -28.93 58.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.026 179.071 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -79.47 -30.61 42.17 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.301 179.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 3.3 p -73.08 -42.39 63.07 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.542 179.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -71.13 -38.75 72.26 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.357 179.515 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 18.7 ttm180 -73.04 -24.77 60.75 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.931 178.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 14' ' ' ALA . . . . . 0.474 ' O ' HD22 ' D' ' 113' ' ' LEU . . . -78.47 -54.23 6.39 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.6 178.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 15' ' ' LEU . . . . . 0.509 ' CD2' ' HB3' ' C' ' 44' ' ' PHE . 0.4 OUTLIER -62.34 -26.07 68.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.602 179.38 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' C' C ' 16' ' ' HIS . . . . . . . . . . . . . 6.8 m170 -73.19 -45.88 53.83 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 178.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . 0.435 HD22 ' CE1' ' C' ' 21' ' ' TYR . 5.7 mt -63.15 -36.4 83.48 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.458 178.618 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . 0.434 ' CD2' ' CG1' ' D' ' 92' ' ' VAL . 38.8 mt -62.99 -46.8 85.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.632 179.587 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -57.91 -41.51 82.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.767 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -71.53 -32.36 68.07 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.221 179.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 21' ' ' TYR . . . . . 0.65 ' O ' ' HB2' ' C' ' 25' ' ' LEU . 14.4 m-30 -70.13 -48.65 56.58 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.451 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 22' ' ' ARG . . . . . 0.446 ' HB2' ' CG ' ' C' ' 34' ' ' ARG . 6.5 ptm180 -55.66 -42.66 75.39 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.607 179.455 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 17.7 t -59.68 -43.27 94.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.734 179.498 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 24' ' ' LYS . . . . . . . . . . . . . 10.1 ptmt -98.74 13.17 33.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.74 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 25' ' ' LEU . . . . . 0.65 ' HB2' ' O ' ' C' ' 21' ' ' TYR . 0.0 OUTLIER -107.85 -67.5 0.96 Allowed 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.815 0.302 . . . . 0.0 111.815 -179.269 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' C' C ' 26' ' ' SER . . . . . 0.58 ' CB ' ' HB2' ' C' ' 34' ' ' ARG . 0.0 OUTLIER -61.74 -18.13 58.58 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -178.399 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' C' C ' 27' ' ' GLN . . . . . 0.435 ' OE1' ' NH1' ' C' ' 31' ' ' ARG . 0.3 OUTLIER -72.65 57.38 0.41 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.946 0.403 . . . . 0.0 111.077 -179.513 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' C' C ' 28' ' ' THR . . . . . 0.482 ' CG2' ' H ' ' C' ' 29' ' ' GLU . 9.0 t -176.34 -58.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 112.058 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 29' ' ' GLU . . . . . 0.482 ' H ' ' CG2' ' C' ' 28' ' ' THR . 14.8 pt-20 -168.57 29.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -178.792 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 30' ' ' ASP . . . . . 0.576 ' HB2' HD21 ' C' ' 25' ' ' LEU . 2.0 m-20 -141.93 47.23 1.64 Allowed 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 120.932 -0.307 . . . . 0.0 111.654 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . 0.473 ' HA ' ' HB2' ' C' ' 26' ' ' SER . 10.8 mmm180 -54.87 -51.88 64.56 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.181 0.515 . . . . 0.0 110.715 179.456 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.04 -45.88 75.26 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.098 179.116 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 33' ' ' LEU . . . . . 0.447 HD11 ' CB ' ' D' ' 95' ' ' SER . 3.9 tp -53.1 -35.09 59.25 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.951 179.073 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 34' ' ' ARG . . . . . 0.58 ' HB2' ' CB ' ' C' ' 26' ' ' SER . 6.0 ttp180 -60.76 -45.83 92.8 Favored 'General case' 0 CA--C 1.512 -0.495 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 178.535 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 10.4 t -54.13 -36.9 63.78 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.376 179.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 36' ' ' SER . . . . . 0.42 ' O ' ' CG ' ' C' ' 39' ' ' ARG . 3.9 p -68.88 -49.63 56.58 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.951 0.405 . . . . 0.0 110.319 179.051 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 37' ' ' ILE . . . . . 0.622 ' O ' HG12 ' C' ' 41' ' ' ILE . 52.0 mt -58.1 -38.14 65.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.081 0.467 . . . . 0.0 109.816 178.809 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -61.45 -52.38 64.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.61 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 39' ' ' ARG . . . . . 0.476 ' HG3' ' HB3' ' D' ' 88' ' ' ALA . 4.3 ptp85 -55.52 -35.05 65.21 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.652 -0.419 . . . . 0.0 109.897 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . 0.515 ' O ' ' HB2' ' C' ' 44' ' ' PHE . 57.9 t -68.73 -31.96 52.99 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 CA-C-N 116.257 -0.429 . . . . 0.0 109.925 178.336 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 41' ' ' ILE . . . . . 0.622 HG12 ' O ' ' C' ' 37' ' ' ILE . 8.6 mm -69.31 -59.48 3.51 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.601 179.672 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 16.5 p -57.76 -47.16 83.28 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-O 121.022 0.439 . . . . 0.0 110.5 -179.228 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 43' ' ' ILE . . . . . 0.437 ' HA ' ' CZ ' ' D' ' 129' ' ' TYR . 31.2 mt -59.94 -33.08 51.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.966 179.05 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 44' ' ' PHE . . . . . 0.515 ' HB2' ' O ' ' C' ' 40' ' ' VAL . 0.2 OUTLIER -73.04 -57.48 4.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.804 -179.932 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' C' C ' 45' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -80.21 -18.5 49.38 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 -176.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 46' ' ' SER . . . . . 0.437 ' CB ' ' OH ' ' D' ' 129' ' ' TYR . 0.4 OUTLIER -45.28 143.92 1.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.989 0.424 . . . . 0.0 111.328 -179.286 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -54.94 -22.53 15.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.389 -178.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . 0.482 ' HB3' ' CD2' ' D' ' 129' ' ' TYR . 0.3 OUTLIER -75.74 -46.2 32.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.818 0.342 . . . . 0.0 111.033 -179.475 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' C' C ' 49' ' ' PHE . . . . . 0.43 ' CD2' HD11 ' C' ' 53' ' ' ILE . 19.7 t80 -51.29 -56.3 13.72 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.54 -179.195 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 50.2 mm-40 -51.75 -39.17 58.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.866 0.365 . . . . 0.0 110.739 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.76 -52.24 65.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.764 179.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 52' ' ' LEU . . . . . 0.402 HD13 ' O ' ' D' ' 125' ' ' LEU . 1.2 mt -58.33 -46.99 85.17 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.721 179.801 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 53' ' ' ILE . . . . . 0.43 HD11 ' CD2' ' C' ' 49' ' ' PHE . 63.4 mt -53.64 -36.26 28.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.543 179.541 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.72 -30.64 64.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.623 179.474 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 55' ' ' ILE . . . . . 0.427 ' CG2' ' CD2' ' B' ' 128' ' ' LEU . 72.7 mt -70.07 -50.95 43.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.163 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 56' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -53.51 -23.15 9.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.533 -179.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.71 -35.19 13.49 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.633 0.254 . . . . 0.0 111.023 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 58' ' ' PHE . . . . . 0.415 ' HA ' ' HG ' ' A' ' 64' ' ' LEU . 80.7 m-85 -146.92 16.03 1.21 Allowed 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 59' ' ' TYR . . . . . 0.444 ' CD2' ' CD2' ' B' ' 128' ' ' LEU . 13.4 m-85 -130.64 62.28 1.6 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.886 0.374 . . . . 0.0 110.675 179.804 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 60' ' ' GLU . . . . . 0.409 ' CB ' ' HB ' ' A' ' 62' ' ' THR . 0.9 OUTLIER -48.29 95.8 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.976 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' C' C ' 61' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -72.14 104.44 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.993 0.425 . . . . 0.0 111.276 -179.713 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 62' ' ' THR . . . . . . . . . . . . . 2.5 m -89.19 110.43 21.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.472 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 63' ' ' LEU . . . . . 0.428 ' CD1' ' CE2' ' A' ' 59' ' ' TYR . 0.2 OUTLIER -82.56 132.47 35.19 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.835 -179.912 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' C' C ' 64' ' ' LEU . . . . . 0.451 ' CD2' ' N ' ' C' ' 64' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.469 -179.558 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 82' ' ' LEU . . . . . 0.558 ' CD2' ' N ' ' D' ' 82' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 83' ' ' LEU . . . . . 0.67 ' O ' ' HB3' ' D' ' 87' ' ' ARG . 0.3 OUTLIER -66.53 -47.12 73.88 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.021 -0.991 . . . . 0.0 110.698 -179.835 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' D' D ' 84' ' ' ALA . . . . . 0.717 ' O ' ' HB1' ' D' ' 88' ' ' ALA . . . -77.82 -20.04 53.9 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.435 -179.216 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 85' ' ' ALA . . . . . 0.462 ' CB ' ' CB ' ' D' ' 126' ' ' LEU . . . -52.3 -23.19 5.39 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.214 0.53 . . . . 0.0 110.112 179.253 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 86' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -128.29 -38.97 1.73 Allowed 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.536 178.72 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 87' ' ' ARG . . . . . 0.67 ' HB3' ' O ' ' D' ' 83' ' ' LEU . 31.9 ttt85 -65.53 -41.0 93.56 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.493 179.288 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 88' ' ' ALA . . . . . 0.717 ' HB1' ' O ' ' D' ' 84' ' ' ALA . . . -70.6 -46.15 63.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.597 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 89' ' ' VAL . . . . . 0.48 ' CG1' ' HB3' ' D' ' 117' ' ' PHE . 28.9 t -68.69 -35.82 71.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.34 179.24 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 90' ' ' SER . . . . . 0.428 ' HA ' ' HB2' ' D' ' 93' ' ' LEU . 62.5 m -75.35 -24.75 57.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.632 179.308 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 91' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -67.69 -57.09 6.98 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-O 121.325 0.583 . . . . 0.0 109.627 179.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 92' ' ' VAL . . . . . 0.434 ' CG1' ' CD2' ' C' ' 18' ' ' LEU . 3.6 t -66.09 -27.99 42.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.262 -0.881 . . . . 0.0 109.902 179.127 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 93' ' ' LEU . . . . . 0.639 HD22 ' HA ' ' D' ' 114' ' ' HIS . 2.3 mt -64.36 -37.9 89.12 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.263 179.7 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -83.22 -35.35 25.49 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.929 0.395 . . . . 0.0 111.136 -179.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 95' ' ' SER . . . . . 0.447 ' CB ' HD11 ' C' ' 33' ' ' LEU . 16.1 m -80.59 -23.36 39.92 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.137 -179.509 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 96' ' ' LEU . . . . . 0.47 ' O ' ' HB ' ' D' ' 99' ' ' ILE . 0.2 OUTLIER -36.83 -52.73 0.93 Allowed 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 112.722 0.638 . . . . 0.0 112.722 -178.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -70.54 -27.95 64.55 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.978 -179.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 98' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' D' ' 95' ' ' SER . 0.1 OUTLIER -69.83 -34.73 74.05 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 177.597 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' D' D ' 99' ' ' ILE . . . . . 0.47 ' HB ' ' O ' ' D' ' 96' ' ' LEU . 24.8 mt -61.45 -49.74 83.24 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.756 0 CA-C-N 114.452 -1.249 . . . . 0.0 109.925 178.437 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 100' ' ' HIS . . . . . 0.5 ' HB2' ' CD1' ' D' ' 110' ' ' LEU . 1.8 t-160 -57.42 -33.79 68.25 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 178.326 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 101' ' ' ALA . . . . . . . . . . . . . . . -57.8 -43.07 85.39 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.528 -1.214 . . . . 0.0 111.967 179.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 102' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' D' ' 98' ' ' GLU . 0.4 OUTLIER -119.41 25.94 9.75 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 -177.395 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' D' D ' 103' ' ' THR . . . . . 0.43 HG22 ' O ' ' D' ' 99' ' ' ILE . 30.9 p -141.25 -32.91 0.53 Allowed 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 120.984 -0.286 . . . . 0.0 111.517 179.727 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 67.73 28.29 7.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.873 0.368 . . . . 0.0 110.448 -179.427 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 105' ' ' SER . . . . . 0.42 ' OG ' ' CE1' ' C' ' 21' ' ' TYR . 3.7 m -52.84 -75.93 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.892 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 169.64 105.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.405 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -47.48 -39.28 15.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.871 0.367 . . . . 0.0 110.736 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 5.2 mmtp -63.3 -43.88 96.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.146 0.498 . . . . 0.0 109.853 179.157 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 109' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -65.03 -37.67 88.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.753 178.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 110' ' ' LEU . . . . . 0.5 ' CD1' ' HB2' ' D' ' 100' ' ' HIS . 13.3 mt -59.58 -49.67 76.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.929 179.136 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 111' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.66 -42.56 79.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.899 -179.697 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 112' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -58.67 -39.91 81.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.36 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 113' ' ' LEU . . . . . 0.474 HD22 ' O ' ' C' ' 14' ' ' ALA . 0.5 OUTLIER -73.71 -30.74 63.03 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.217 -179.704 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' D' D ' 114' ' ' HIS . . . . . 0.639 ' HA ' HD22 ' D' ' 93' ' ' LEU . 65.2 m80 -63.21 -34.85 78.55 Favored 'General case' 0 CA--C 1.517 -0.293 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 178.296 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 115' ' ' SER . . . . . . . . . . . . . 44.1 t -73.0 -39.54 65.97 Favored 'General case' 0 N--CA 1.453 -0.275 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 178.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 116' ' ' VAL . . . . . 0.45 HG13 ' CE1' ' D' ' 117' ' ' PHE . 41.3 t -62.28 -23.39 31.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.141 -0.936 . . . . 0.0 109.698 178.326 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 117' ' ' PHE . . . . . 0.48 ' HA ' ' CD2' ' D' ' 122' ' ' LEU . 8.4 m-30 -105.32 -18.88 13.97 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.585 -179.728 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 118' ' ' GLN . . . . . 0.422 ' N ' ' O ' ' D' ' 114' ' ' HIS . 0.0 OUTLIER -74.71 -33.65 62.46 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.725 0.298 . . . . 0.0 111.39 -179.5 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -42.45 127.95 3.82 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.711 -179.321 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 120' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -69.0 -46.9 66.84 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.674 179.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 121' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 -55.88 -34.03 65.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.404 179.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 122' ' ' LEU . . . . . 0.581 ' HG ' HD11 ' D' ' 126' ' ' LEU . 24.3 tp -56.19 -50.41 71.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.286 179.844 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 123' ' ' HIS . . . . . 0.508 ' HA ' HD13 ' D' ' 126' ' ' LEU . 28.9 m170 -51.73 -27.14 11.03 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.176 179.023 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 124' ' ' THR . . . . . . . . . . . . . 6.2 m -75.7 -35.86 60.18 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.92 179.372 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 125' ' ' LEU . . . . . 0.51 ' CD1' ' HA ' ' D' ' 122' ' ' LEU . 14.9 mt -62.32 -41.48 98.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.796 179.662 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 126' ' ' LEU . . . . . 0.581 HD11 ' HG ' ' D' ' 122' ' ' LEU . 1.7 mp -73.38 -40.43 64.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.46 -179.442 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 127' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.42 -53.5 57.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.946 0.403 . . . . 0.0 111.137 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 128' ' ' LEU . . . . . 0.458 HD22 ' CD2' ' A' ' 59' ' ' TYR . 2.4 mt -72.13 -29.09 63.72 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.339 179.622 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 129' ' ' TYR . . . . . 0.482 ' CD2' ' HB3' ' C' ' 48' ' ' LEU . 1.6 t80 -55.37 -52.56 63.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.313 -179.437 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 130' ' ' ASP . . . . . 0.428 ' HB2' HD21 ' D' ' 82' ' ' LEU . 2.2 m-20 -76.88 -36.44 56.73 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.832 0.349 . . . . 0.0 111.039 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 131' ' ' LYS . . . . . . . . . . . . . 7.1 mttm -56.57 -43.88 80.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.134 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 132' ' ' ILE . . . . . . . . . . . . . 5.3 mt -78.86 -39.05 21.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.865 0.364 . . . . 0.0 111.039 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 133' ' ' ASN . . . . . . . . . . . . . 16.6 t30 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.237 -179.591 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.09 -38.56 91.66 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 121.136 0.493 . . . . 0.0 109.692 179.046 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 55.4 mm-40 -74.17 -29.86 61.97 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.023 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -80.03 -29.81 39.4 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.233 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.477 ' CG2' ' CD1' ' A' ' 44' ' ' PHE . 94.9 m -71.21 -42.21 69.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.117 179.571 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.425 ' O ' ' HB2' ' A' ' 16' ' ' HIS . 0.8 OUTLIER -69.51 -46.82 65.64 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.202 179.272 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.442 ' HD2' ' CE1' ' B' ' 112' ' ' PHE . 0.4 OUTLIER -65.91 -25.05 66.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.139 179.193 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.473 ' O ' HD23 ' B' ' 113' ' ' LEU . . . -78.7 -54.71 5.82 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 179.065 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.495 ' CD2' ' HB3' ' A' ' 44' ' ' PHE . 0.4 OUTLIER -65.92 -27.34 68.12 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.681 179.342 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.425 ' HB2' ' O ' ' A' ' 12' ' ' GLN . 4.6 m-70 -73.19 -45.51 55.93 Favored 'General case' 0 CA--C 1.52 -0.191 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 178.626 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.435 HD21 ' CE1' ' A' ' 21' ' ' TYR . 2.7 mt -60.92 -43.78 98.11 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.655 179.082 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.433 ' HB2' ' CD1' ' A' ' 41' ' ' ILE . 23.1 mt -58.94 -42.65 90.28 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.623 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -58.26 -44.02 88.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.195 0.521 . . . . 0.0 110.715 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -72.57 -31.6 65.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.035 179.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.644 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 10.7 m-30 -67.51 -47.68 69.27 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.521 179.757 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -60.19 -43.64 95.74 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 120.894 0.378 . . . . 0.0 110.612 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.6 t -57.37 -40.37 78.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.399 179.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.7 ptmt -96.9 3.9 51.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.566 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.644 ' HB2' ' O ' ' A' ' 21' ' ' TYR . 0.1 OUTLIER -92.36 -66.87 0.89 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.88 0.371 . . . . 0.0 111.181 -179.852 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.445 ' HB3' ' HB2' ' A' ' 34' ' ' ARG . 2.9 p -60.45 -157.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.875 -179.483 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.422 ' OE1' ' NH1' ' A' ' 31' ' ' ARG . 1.8 mp0 59.72 25.4 14.38 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 120.822 0.344 . . . . 0.0 110.674 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.543 ' CG2' ' H ' ' A' ' 29' ' ' GLU . 3.5 t -147.87 -63.75 0.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.388 -179.568 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.543 ' H ' ' CG2' ' A' ' 28' ' ' THR . 12.6 pt-20 -170.4 27.87 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.607 -179.213 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.493 ' HB2' HD22 ' A' ' 25' ' ' LEU . 3.8 m-20 -146.73 53.11 1.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.035 0.445 . . . . 0.0 110.816 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.422 ' NH1' ' OE1' ' A' ' 27' ' ' GLN . 13.9 mmm180 -64.64 -47.77 77.28 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.214 0.53 . . . . 0.0 109.871 179.628 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.7 tp60 -58.23 -45.03 88.45 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.594 178.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.419 HD13 ' CB ' ' B' ' 95' ' ' SER . 8.1 tp -57.02 -34.07 67.81 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.823 178.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.445 ' HB2' ' HB3' ' A' ' 26' ' ' SER . 5.6 ttp180 -60.6 -43.0 97.91 Favored 'General case' 0 CA--C 1.518 -0.278 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 178.696 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.23 -38.27 79.59 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.407 179.08 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.483 ' HB2' ' NE2' ' B' ' 91' ' ' GLN . 27.8 p -62.07 -51.46 67.85 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.174 0.511 . . . . 0.0 110.431 179.474 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.555 ' O ' HG12 ' A' ' 41' ' ' ILE . 37.8 mt -55.85 -42.88 72.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.273 179.399 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.37 -43.51 79.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.835 179.645 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.46 ' CB ' ' HB3' ' B' ' 88' ' ' ALA . 9.8 mtt180 -55.7 -49.07 74.0 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-O 121.261 0.553 . . . . 0.0 109.927 179.346 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.553 ' O ' ' HB2' ' A' ' 44' ' ' PHE . 21.6 t -60.18 -33.81 54.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.662 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.555 HG12 ' O ' ' A' ' 37' ' ' ILE . 13.0 mm -70.06 -55.38 14.95 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.719 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.1 p -60.86 -49.28 78.11 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-O 120.922 0.391 . . . . 0.0 110.809 -179.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.435 HD12 HG21 ' A' ' 43' ' ' ILE . 11.1 mt -59.97 -32.28 49.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.079 179.358 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.553 ' HB2' ' O ' ' A' ' 40' ' ' VAL . 0.2 OUTLIER -72.51 -57.17 4.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.139 179.767 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.44 ' HG2' ' O ' ' A' ' 41' ' ' ILE . 4.7 pt20 -79.43 1.13 26.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.227 -178.229 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.451 ' CB ' ' CE1' ' B' ' 129' ' ' TYR . 0.1 OUTLIER -53.49 137.71 35.5 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.939 0.399 . . . . 0.0 110.78 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -56.36 -32.46 64.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.489 -179.552 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.46 ' CD2' ' HB ' ' B' ' 132' ' ' ILE . 0.4 OUTLIER -79.73 -46.61 16.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.756 0.312 . . . . 0.0 111.09 -179.725 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.465 ' CZ ' HD23 ' B' ' 126' ' ' LEU . 41.9 t80 -51.26 -53.5 34.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.598 -179.597 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -54.28 -40.86 68.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.821 0.344 . . . . 0.0 111.049 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.48 -45.1 89.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.057 0.456 . . . . 0.0 110.648 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.446 ' CD1' ' N ' ' B' ' 129' ' ' TYR . 5.6 mt -61.94 -44.72 96.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.307 179.479 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.437 HD11 HG21 ' A' ' 53' ' ' ILE . 23.0 mt -51.46 -39.49 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.976 178.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -65.58 -39.53 91.74 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.104 179.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.406 ' O ' ' HB2' ' A' ' 59' ' ' TYR . 4.9 mm -52.65 -40.85 35.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.842 179.502 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -50.28 -22.45 1.79 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.946 -179.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.421 ' O ' ' CG ' ' A' ' 58' ' ' PHE . 0.6 OUTLIER -44.66 -48.77 10.58 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.512 0.196 . . . . 0.0 111.525 -179.63 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.495 ' CD2' ' HB3' ' C' ' 65' ' ' ASP . 66.0 m-85 -156.24 44.57 0.42 Allowed 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.949 0.404 . . . . 0.0 111.637 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.451 ' CE1' ' CD1' ' C' ' 63' ' ' LEU . 42.4 m-85 -139.68 67.35 1.38 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.642 179.388 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -53.72 93.21 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.976 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.488 HG22 HG22 ' B' ' 124' ' ' THR . 0.0 OUTLIER -78.21 96.87 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.868 0.366 . . . . 0.0 111.101 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 11.7 m -78.12 120.09 22.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.394 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.469 ' CD1' ' CE2' ' C' ' 59' ' ' TYR . 0.8 OUTLIER -92.38 135.43 34.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.04 -179.876 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.504 ' CD2' ' N ' ' A' ' 64' ' ' LEU . 0.1 OUTLIER -118.38 -25.25 6.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.078 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.492 ' HB2' ' CG ' ' C' ' 58' ' ' PHE . 33.8 t70 -104.3 8.82 36.08 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.383 179.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.42 ' HB3' ' HB3' ' A' ' 63' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.465 0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.416 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.285 0 N-CA-C 110.524 -1.03 . . . . 0.0 110.524 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . 0.549 ' O ' ' CD1' ' B' ' 82' ' ' LEU . 0.1 OUTLIER -87.42 -34.95 18.56 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 114.504 -0.848 . . . . 0.0 109.415 179.139 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . 0.665 ' O ' ' HB3' ' B' ' 87' ' ' ARG . 0.0 OUTLIER -69.97 -55.49 9.49 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.046 -179.816 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . 0.569 ' N ' ' CD2' ' B' ' 83' ' ' LEU . . . -64.34 -29.36 70.44 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.066 -0.515 . . . . 0.0 112.028 -178.094 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' ALA . . . . . 0.494 ' CB ' ' HB3' ' B' ' 126' ' ' LEU . . . -53.69 -24.67 15.31 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.914 0.388 . . . . 0.0 110.674 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -124.2 -45.29 1.98 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.011 -0.541 . . . . 0.0 109.788 178.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' ARG . . . . . 0.665 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 6.1 ttt-85 -57.69 -52.97 63.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.031 178.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . 0.608 ' HA ' ' NE2' ' B' ' 91' ' ' GLN . . . -56.47 -43.83 79.98 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.32 -0.854 . . . . 0.0 111.193 -179.722 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' VAL . . . . . 0.485 ' CG1' ' HB3' ' B' ' 117' ' ' PHE . 21.5 t -59.25 -35.24 56.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.073 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 3.7 t -76.06 -29.66 58.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.813 -179.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 91' ' ' GLN . . . . . 0.608 ' NE2' ' HA ' ' B' ' 88' ' ' ALA . 11.7 mt-30 -66.45 -55.21 16.78 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-O 121.395 0.617 . . . . 0.0 109.511 179.597 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 92' ' ' VAL . . . . . 0.507 HG23 ' HA ' ' A' ' 37' ' ' ILE . 3.3 t -65.72 -28.31 43.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.278 179.246 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . 0.626 HD23 ' HA ' ' B' ' 114' ' ' HIS . 2.7 mt -67.09 -32.92 74.4 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.009 179.6 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -86.73 -39.49 15.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.762 0.315 . . . . 0.0 111.313 -179.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 95' ' ' SER . . . . . 0.419 ' CB ' HD13 ' A' ' 33' ' ' LEU . 0.8 OUTLIER -79.86 -17.88 52.11 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -179.293 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . 0.443 HD11 ' CD2' ' B' ' 114' ' ' HIS . 0.2 OUTLIER -39.47 -52.33 2.12 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -179.366 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 97' ' ' GLU . . . . . 0.402 ' HA ' ' CD1' ' B' ' 110' ' ' LEU . 70.4 mt-10 -68.33 -28.86 67.51 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.3 -179.466 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.19 -34.4 72.89 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 177.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 99' ' ' ILE . . . . . 0.521 ' O ' HG22 ' B' ' 103' ' ' THR . 62.1 mt -62.97 -49.97 81.48 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.822 0 CA-C-N 114.57 -1.195 . . . . 0.0 109.653 178.52 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . 0.489 ' HB2' ' CD1' ' B' ' 110' ' ' LEU . 2.2 t-160 -54.9 -34.39 63.04 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 178.08 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -56.21 -46.6 79.41 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 114.311 -1.313 . . . . 0.0 111.946 179.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' LEU . . . . . 0.54 HD11 HD21 ' A' ' 25' ' ' LEU . 0.4 OUTLIER -117.43 30.28 7.39 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.516 -0.765 . . . . 0.0 112.72 -177.591 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' THR . . . . . 0.521 HG22 ' O ' ' B' ' 99' ' ' ILE . 44.3 p -145.02 -31.12 0.42 Allowed 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 111.694 0.257 . . . . 0.0 111.694 179.707 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 3.0 t0 74.85 24.56 1.57 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.058 0.456 . . . . 0.0 110.511 -179.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 105' ' ' SER . . . . . 0.448 ' HB3' ' CZ ' ' A' ' 21' ' ' TYR . 4.0 m -62.31 -14.67 41.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.305 179.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 106' ' ' SER . . . . . 0.423 ' CB ' ' O ' ' B' ' 105' ' ' SER . 4.0 t 80.96 121.82 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.945 0.402 . . . . 0.0 110.968 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -54.15 -29.0 43.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.984 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 22.1 mmtm -56.72 -54.14 49.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.066 0.46 . . . . 0.0 110.354 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.03 -37.61 85.57 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.958 179.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 110' ' ' LEU . . . . . 0.489 ' CD1' ' HB2' ' B' ' 100' ' ' HIS . 31.2 mt -61.83 -42.47 99.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.267 179.297 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -60.18 -43.27 96.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.573 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 112' ' ' PHE . . . . . 0.442 ' CE1' ' HD2' ' A' ' 13' ' ' ARG . 0.4 OUTLIER -58.84 -42.61 89.69 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.374 179.635 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 113' ' ' LEU . . . . . 0.473 HD23 ' O ' ' A' ' 14' ' ' ALA . 0.5 OUTLIER -72.18 -33.61 67.8 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.793 -179.864 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 114' ' ' HIS . . . . . 0.626 ' HA ' HD23 ' B' ' 93' ' ' LEU . 36.2 m170 -58.09 -35.9 72.09 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 178.1 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 115' ' ' SER . . . . . 0.4 ' HA ' ' HB2' ' B' ' 118' ' ' GLN . 46.5 t -73.2 -40.13 65.01 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.034 178.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 116' ' ' VAL . . . . . 0.414 ' O ' ' CD2' ' B' ' 122' ' ' LEU . 66.5 t -61.01 -23.21 29.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.727 178.492 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 117' ' ' PHE . . . . . 0.485 ' HB3' ' CG1' ' B' ' 89' ' ' VAL . 6.2 m-30 -106.79 -17.23 14.27 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.684 -179.643 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 118' ' ' GLN . . . . . 0.404 ' HB2' ' O ' ' B' ' 114' ' ' HIS . 0.0 OUTLIER -77.69 -30.49 51.92 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.716 0.294 . . . . 0.0 111.352 -179.471 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -48.27 139.06 9.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.918 0.39 . . . . 0.0 111.56 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 5.4 tm0? -80.28 -41.25 25.31 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.681 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 4.5 m170 -56.04 -34.3 65.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.471 179.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . 0.414 ' CD2' ' O ' ' B' ' 116' ' ' VAL . 34.7 tp -56.2 -47.26 78.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.229 179.606 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 123' ' ' HIS . . . . . 0.48 ' HA ' ' CD1' ' B' ' 126' ' ' LEU . 14.9 m170 -56.67 -23.79 44.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.192 179.058 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 124' ' ' THR . . . . . 0.488 HG22 HG22 ' A' ' 61' ' ' VAL . 6.3 m -74.85 -39.15 61.76 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 178.745 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 6.6 mt -70.64 -33.87 71.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.508 178.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . 0.494 ' HB3' ' CB ' ' B' ' 85' ' ' ALA . 6.1 mt -73.45 -50.38 21.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.633 179.527 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -63.2 -40.29 97.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.713 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . 0.444 ' CD2' ' CD2' ' C' ' 59' ' ' TYR . 46.6 mt -72.89 -33.63 66.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.008 179.452 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 129' ' ' TYR . . . . . 0.458 ' O ' HD21 ' A' ' 48' ' ' LEU . 11.4 t80 -56.04 -47.04 78.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.119 179.727 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 130' ' ' ASP . . . . . 0.435 ' CB ' ' HA ' ' B' ' 82' ' ' LEU . 2.8 p30 -74.79 -34.6 62.44 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.251 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.98 -54.24 45.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.443 -179.334 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 132' ' ' ILE . . . . . 0.46 ' HB ' ' CD2' ' A' ' 48' ' ' LEU . 1.6 mt -73.59 -37.24 49.43 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 CA-C-O 120.963 0.411 . . . . 0.0 110.765 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 133' ' ' ASN . . . . . 0.422 ' HB2' HD22 ' A' ' 48' ' ' LEU . 11.5 t-20 -68.03 -25.79 65.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.966 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 85.1 m -108.75 8.32 26.75 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.203 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 135' ' ' LYS . . . . . 0.45 ' HG3' ' N ' ' B' ' 136' ' ' SER . 0.0 OUTLIER -82.98 -55.04 4.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.909 0.385 . . . . 0.0 110.53 -179.842 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 136' ' ' SER . . . . . 0.45 ' N ' ' HG3' ' B' ' 135' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--N 1.327 -0.411 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.921 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 7' ' ' ARG . . . . . . . . . . . . . 14.4 ttm105 . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.94 -42.79 99.92 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 121.216 0.531 . . . . 0.0 109.661 178.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 52.6 mm-40 -75.59 -32.13 60.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.163 179.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -75.12 -29.91 60.68 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.388 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 6.2 p -72.35 -47.98 45.35 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.352 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.78 -36.36 83.64 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 120.874 -0.331 . . . . 0.0 110.354 179.637 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 5.4 ttt180 -73.32 -25.89 60.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.082 179.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 14' ' ' ALA . . . . . 0.421 ' O ' HD22 ' D' ' 113' ' ' LEU . . . -78.61 -54.94 5.59 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 178.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 15' ' ' LEU . . . . . 0.569 ' HB3' ' CD2' ' C' ' 44' ' ' PHE . 0.3 OUTLIER -62.88 -28.68 70.21 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.82 179.371 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 16' ' ' HIS . . . . . . . . . . . . . 20.1 t60 -73.34 -44.26 59.14 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 178.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . 0.418 HD23 ' CE1' ' C' ' 21' ' ' TYR . 2.5 mt -61.89 -45.41 93.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.904 179.185 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . 0.476 ' HB3' HG22 ' C' ' 37' ' ' ILE . 10.5 mt -58.76 -40.39 83.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.41 179.528 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.54 -47.62 81.53 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.734 179.662 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -69.18 -32.71 72.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.831 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 21' ' ' TYR . . . . . 0.67 ' O ' ' HB2' ' C' ' 25' ' ' LEU . 11.6 m-30 -65.35 -47.9 74.87 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.873 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 22' ' ' ARG . . . . . 0.421 ' HB3' ' HB ' ' C' ' 37' ' ' ILE . 4.1 ptm180 -59.98 -43.2 95.28 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-O 120.87 0.367 . . . . 0.0 110.608 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.26 -40.2 73.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.359 179.266 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 24' ' ' LYS . . . . . . . . . . . . . 6.9 ptmt -98.96 6.16 46.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.549 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 25' ' ' LEU . . . . . 0.67 ' HB2' ' O ' ' C' ' 21' ' ' TYR . 0.4 OUTLIER -94.44 -67.76 0.84 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.931 0.396 . . . . 0.0 111.099 -179.841 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 26' ' ' SER . . . . . 0.401 ' HB3' ' HB2' ' C' ' 34' ' ' ARG . 1.6 p -59.79 -160.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.935 -179.462 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 27' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 59.28 30.05 19.72 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.567 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 28' ' ' THR . . . . . 0.504 ' CG2' ' H ' ' C' ' 29' ' ' GLU . 4.5 t -152.14 -59.3 0.15 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.99 -179.546 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 29' ' ' GLU . . . . . 0.504 ' H ' ' CG2' ' C' ' 28' ' ' THR . 18.4 pt-20 -176.67 28.36 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.263 -0.88 . . . . 0.0 111.305 -179.378 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -145.52 49.41 1.24 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.916 0.389 . . . . 0.0 111.007 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.23 -55.15 27.35 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.406 0.622 . . . . 0.0 110.562 179.735 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -52.95 -47.88 67.77 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.622 178.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 33' ' ' LEU . . . . . 0.421 ' CD2' HD11 ' C' ' 25' ' ' LEU . 14.9 tp -55.95 -32.26 63.68 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.826 178.698 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 34' ' ' ARG . . . . . 0.401 ' HB2' ' HB3' ' C' ' 26' ' ' SER . 7.6 ttp180 -60.77 -43.12 98.44 Favored 'General case' 0 CA--C 1.518 -0.257 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 178.605 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 35' ' ' SER . . . . . 0.508 ' O ' ' HG3' ' C' ' 38' ' ' GLU . 3.5 t -60.99 -34.1 74.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.388 -0.823 . . . . 0.0 109.813 178.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 36' ' ' SER . . . . . 0.536 ' O ' ' HB2' ' C' ' 39' ' ' ARG . 0.9 OUTLIER -62.74 -46.07 89.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.638 179.431 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 37' ' ' ILE . . . . . 0.558 ' O ' HG12 ' C' ' 41' ' ' ILE . 44.7 mt -60.02 -49.77 82.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.074 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 38' ' ' GLU . . . . . 0.508 ' HG3' ' O ' ' C' ' 35' ' ' SER . 6.2 pt-20 -58.74 -31.42 68.31 Favored 'General case' 0 CA--C 1.519 -0.234 0 N-CA-C 110.175 -0.306 . . . . 0.0 110.175 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 39' ' ' ARG . . . . . 0.536 ' HB2' ' O ' ' C' ' 36' ' ' SER . 7.1 mtt180 -57.04 -54.52 45.86 Favored 'General case' 0 CA--C 1.514 -0.413 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 178.061 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . 0.537 ' O ' ' HB2' ' C' ' 44' ' ' PHE . 41.2 t -60.76 -30.9 48.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 114.875 -1.057 . . . . 0.0 110.386 179.221 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 41' ' ' ILE . . . . . 0.558 HG12 ' O ' ' C' ' 37' ' ' ILE . 4.3 mm -68.82 -51.4 45.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.778 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 13.6 t -68.12 -47.03 69.27 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-O 120.823 0.344 . . . . 0.0 111.195 -179.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 43' ' ' ILE . . . . . . . . . . . . . 6.0 mt -59.64 -33.69 52.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.395 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 44' ' ' PHE . . . . . 0.569 ' CD2' ' HB3' ' C' ' 15' ' ' LEU . 2.8 m-85 -72.63 -57.18 4.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.982 -0.554 . . . . 0.0 112.019 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 45' ' ' GLN . . . . . 0.427 ' HG2' ' O ' ' C' ' 41' ' ' ILE . 4.7 pt20 -77.65 -2.97 38.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.263 -178.126 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.19 151.77 1.95 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.917 0.389 . . . . 0.0 111.309 -179.718 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.89 -39.41 90.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.107 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . 0.592 ' HB3' ' CD1' ' D' ' 129' ' ' TYR . 0.4 OUTLIER -71.63 -42.42 67.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.147 179.853 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 49' ' ' PHE . . . . . 0.714 ' O ' HD23 ' C' ' 52' ' ' LEU . 12.1 t80 -50.71 -56.28 12.69 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.128 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -56.7 -22.71 36.97 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.981 0.42 . . . . 0.0 110.389 179.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 51' ' ' ALA . . . . . 0.425 ' HA ' ' HG2' ' B' ' 135' ' ' LYS . . . -68.16 -53.48 24.76 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.982 -0.553 . . . . 0.0 112.482 -179.33 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 52' ' ' LEU . . . . . 0.714 HD23 ' O ' ' C' ' 49' ' ' PHE . 0.0 OUTLIER -68.38 -30.5 69.45 Favored 'General case' 0 N--CA 1.461 0.111 0 C-N-CA 119.733 -0.787 . . . . 0.0 111.182 -179.406 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 53' ' ' ILE . . . . . 0.578 ' H ' HD23 ' C' ' 52' ' ' LEU . 23.5 mt -62.61 -43.48 98.54 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 178.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.84 -39.03 93.11 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.64 178.717 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 55' ' ' ILE . . . . . 0.411 ' CG2' ' HB2' ' C' ' 59' ' ' TYR . 71.3 mt -61.41 -45.36 98.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.338 179.166 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 56' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -50.96 -23.25 2.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.554 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 57' ' ' GLU . . . . . 0.421 ' O ' ' CD2' ' C' ' 58' ' ' PHE . 6.2 mm-40 -44.48 -37.74 3.67 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 120.8 0.334 . . . . 0.0 111.393 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 58' ' ' PHE . . . . . 0.492 ' CG ' ' HB2' ' A' ' 65' ' ' ASP . 74.3 m-85 -156.64 31.58 0.32 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.389 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 59' ' ' TYR . . . . . 0.469 ' CE2' ' CD1' ' A' ' 63' ' ' LEU . 19.6 m-85 -135.18 71.89 1.44 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.618 179.667 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -57.73 100.45 0.05 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.849 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 61' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -72.39 96.93 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 121.013 0.435 . . . . 0.0 110.724 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 62' ' ' THR . . . . . . . . . . . . . 16.3 m -83.24 87.94 6.94 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.008 -179.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 63' ' ' LEU . . . . . 0.451 ' CD1' ' CE1' ' A' ' 59' ' ' TYR . 1.1 tt -65.25 144.82 56.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.202 179.411 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 64' ' ' LEU . . . . . 0.461 HD23 ' N ' ' C' ' 64' ' ' LEU . 0.3 OUTLIER -139.07 -14.06 1.18 Allowed 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 -178.75 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 65' ' ' ASP . . . . . 0.495 ' HB3' ' CD2' ' A' ' 58' ' ' PHE . 9.6 t0 -142.9 -40.45 0.32 Allowed 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 113.029 0.752 . . . . 0.0 113.029 -179.243 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 66' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 . . . . . 0 N--CA 1.468 0.439 0 CA-C-O 120.879 0.371 . . . . 0.0 111.065 -179.371 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 82' ' ' LEU . . . . . 0.435 ' HB2' ' OD2' ' D' ' 130' ' ' ASP . 9.4 tt -121.91 -16.62 7.55 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 122.654 0.382 . . . . 0.0 111.415 -179.125 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 83' ' ' LEU . . . . . 0.62 ' O ' ' HB3' ' D' ' 87' ' ' ARG . 0.4 OUTLIER -81.98 -43.21 18.33 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-O 120.873 0.368 . . . . 0.0 111.056 -179.179 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 84' ' ' ALA . . . . . 0.547 ' N ' ' CD2' ' D' ' 83' ' ' LEU . . . -70.14 -24.03 63.11 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.696 -179.302 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 85' ' ' ALA . . . . . 0.525 ' HB1' ' HB2' ' D' ' 126' ' ' LEU . . . -53.34 -27.25 22.44 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.204 0.526 . . . . 0.0 110.272 179.155 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 86' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -122.39 -41.51 2.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.529 -0.759 . . . . 0.0 109.713 178.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 87' ' ' ARG . . . . . 0.62 ' HB3' ' O ' ' D' ' 83' ' ' LEU . 17.3 ttt180 -62.01 -48.72 79.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.071 179.044 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 88' ' ' ALA . . . . . 0.546 ' HB2' ' CB ' ' D' ' 84' ' ' ALA . . . -66.53 -42.5 87.14 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.116 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 89' ' ' VAL . . . . . 0.469 ' O ' ' HB2' ' D' ' 93' ' ' LEU . 45.2 t -66.4 -41.99 89.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.02 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 12.1 t -75.54 -38.97 58.93 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.723 -179.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 91' ' ' GLN . . . . . 0.435 ' NE2' ' HA ' ' D' ' 88' ' ' ALA . 5.5 pt20 -67.61 -50.36 58.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.059 0.456 . . . . 0.0 109.932 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 92' ' ' VAL . . . . . 0.431 ' N ' ' CG ' ' D' ' 91' ' ' GLN . 44.0 t -65.45 -27.71 42.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.378 178.098 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 93' ' ' LEU . . . . . 0.589 HD22 ' HA ' ' D' ' 114' ' ' HIS . 2.1 mt -61.72 -45.69 92.86 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.197 179.409 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -76.22 -24.77 54.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.903 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 95' ' ' SER . . . . . 0.417 ' OG ' HD11 ' C' ' 33' ' ' LEU . 13.6 p -77.75 -28.27 50.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.583 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 96' ' ' LEU . . . . . 0.452 ' O ' ' HB ' ' D' ' 99' ' ' ILE . 0.2 OUTLIER -38.36 -52.57 1.53 Allowed 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -179.218 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -70.14 -29.86 66.88 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.957 0.408 . . . . 0.0 111.151 -179.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.63 -33.07 72.12 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 177.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 99' ' ' ILE . . . . . 0.504 HG12 ' CD1' ' C' ' 25' ' ' LEU . 47.3 mt -64.12 -49.41 81.5 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.834 0 CA-C-N 114.605 -1.179 . . . . 0.0 109.678 178.61 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 100' ' ' HIS . . . . . 0.497 ' HB2' ' CD1' ' D' ' 110' ' ' LEU . 1.8 t-160 -55.63 -33.17 63.77 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 178.057 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 101' ' ' ALA . . . . . . . . . . . . . . . -57.51 -46.57 83.63 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 114.403 -1.272 . . . . 0.0 111.949 179.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 102' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -117.25 30.8 7.1 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -177.438 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 103' ' ' THR . . . . . 0.463 HG21 ' O ' ' D' ' 99' ' ' ILE . 37.9 p -147.33 -33.24 0.28 Allowed 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.85 -0.34 . . . . 0.0 111.453 179.422 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 68.26 28.6 6.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.936 0.398 . . . . 0.0 110.447 -179.59 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 105' ' ' SER . . . . . 0.429 ' HB3' ' CE1' ' C' ' 21' ' ' TYR . 12.2 m -52.19 -77.36 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.903 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 106' ' ' SER . . . . . . . . . . . . . 1.4 m 173.55 106.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.573 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -49.82 -37.97 32.72 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.882 0.372 . . . . 0.0 110.722 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.44 -45.94 81.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.857 179.161 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 109' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -62.44 -37.3 85.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.88 179.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 110' ' ' LEU . . . . . 0.497 ' CD1' ' HB2' ' D' ' 100' ' ' HIS . 14.1 mt -59.04 -47.48 85.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.153 179.312 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 111' ' ' ASP . . . . . 0.437 ' HA ' ' HD2' ' D' ' 114' ' ' HIS . 2.3 m-20 -59.19 -40.32 85.35 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.749 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 112' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -58.51 -42.01 86.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.517 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 113' ' ' LEU . . . . . 0.429 ' O ' ' CD2' ' D' ' 117' ' ' PHE . 0.5 OUTLIER -72.09 -32.1 66.71 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.006 -179.832 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 114' ' ' HIS . . . . . 0.589 ' HA ' HD22 ' D' ' 93' ' ' LEU . 0.0 OUTLIER -59.7 -36.51 76.66 Favored 'General case' 0 CA--C 1.516 -0.332 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 178.427 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.25 -35.95 63.83 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 178.449 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 116' ' ' VAL . . . . . 0.403 ' O ' ' CD2' ' D' ' 122' ' ' LEU . 72.7 t -61.79 -23.38 31.0 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.241 178.61 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 117' ' ' PHE . . . . . 0.429 ' CD2' ' O ' ' D' ' 113' ' ' LEU . 38.6 m-85 -105.98 -28.65 10.43 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.412 -179.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 118' ' ' GLN . . . . . 0.415 ' NE2' ' CD1' ' D' ' 93' ' ' LEU . 0.0 OUTLIER -67.56 -28.41 67.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.37 -179.427 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -44.45 123.7 3.71 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.635 -179.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 120' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -64.54 -48.78 73.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.719 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 121' ' ' HIS . . . . . . . . . . . . . 16.4 m170 -55.9 -34.3 65.43 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.681 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 122' ' ' LEU . . . . . 0.455 ' HA ' ' CD1' ' D' ' 125' ' ' LEU . 36.6 tp -56.0 -47.95 76.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.31 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 123' ' ' HIS . . . . . 0.643 ' HA ' ' CD1' ' D' ' 126' ' ' LEU . 12.8 m170 -53.88 -26.36 24.44 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.059 0.457 . . . . 0.0 110.139 178.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 124' ' ' THR . . . . . . . . . . . . . 10.5 m -78.51 -30.49 47.16 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.526 178.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 125' ' ' LEU . . . . . 0.46 ' HB3' ' CD2' ' C' ' 52' ' ' LEU . 62.5 mt -66.45 -47.16 74.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.179 -0.919 . . . . 0.0 111.133 179.7 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 126' ' ' LEU . . . . . 0.643 ' CD1' ' HA ' ' D' ' 123' ' ' HIS . 0.1 OUTLIER -73.11 -37.58 66.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.902 0.382 . . . . 0.0 110.797 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 127' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -58.99 -49.77 76.62 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.103 0.478 . . . . 0.0 110.182 179.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 128' ' ' LEU . . . . . 0.43 HD23 ' CD1' ' A' ' 59' ' ' TYR . 12.4 mt -71.0 -28.81 64.69 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.11 179.118 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 129' ' ' TYR . . . . . 0.592 ' CD1' ' HB3' ' C' ' 48' ' ' LEU . 13.1 t80 -54.87 -52.93 61.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.911 -179.383 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 130' ' ' ASP . . . . . 0.435 ' OD2' ' HB2' ' D' ' 82' ' ' LEU . 4.0 t70 -77.51 -31.27 53.37 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.08 179.137 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.68 -51.99 63.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.081 -179.459 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 132' ' ' ILE . . . . . . . . . . . . . 3.1 mt -78.57 -38.44 22.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.968 0.414 . . . . 0.0 111.149 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 133' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -67.48 -26.31 66.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.367 -179.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 134' ' ' THR . . . . . . . . . . . . . 88.7 m -88.65 -39.47 14.02 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.271 -179.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.7 -32.63 73.41 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.599 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 136' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.237 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.0 tttm -64.13 -37.82 88.85 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 121.111 0.481 . . . . 0.0 109.739 179.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 59.3 mm-40 -77.46 -27.21 51.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.099 178.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -79.25 -33.07 43.9 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.487 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.4 p -74.85 -40.36 61.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.568 179.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.98 -36.55 72.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.167 179.341 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.85 -26.4 60.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.864 179.03 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.434 ' O ' HD22 ' B' ' 113' ' ' LEU . . . -78.41 -54.73 5.86 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 178.788 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.463 ' CD2' ' HB3' ' A' ' 44' ' ' PHE . 0.3 OUTLIER -61.11 -25.18 66.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.478 179.052 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.9 m170 -73.42 -47.02 45.06 Favored 'General case' 0 CA--C 1.518 -0.25 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 178.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.45 ' CD2' ' CE1' ' A' ' 21' ' ' TYR . 3.5 mt -62.34 -33.43 74.69 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.635 -0.712 . . . . 0.0 109.564 178.817 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.426 ' HB3' HG22 ' A' ' 37' ' ' ILE . 27.5 mt -63.84 -50.19 69.87 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.024 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.415 ' N ' HD12 ' A' ' 41' ' ' ILE . 0.2 OUTLIER -61.35 -34.32 75.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.146 -179.815 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.38 -41.38 61.07 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.243 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.675 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 10.2 m-30 -65.31 -49.26 70.14 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.188 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.418 ' HG3' ' N ' ' A' ' 23' ' ' SER . 3.4 ptm180 -55.85 -40.76 73.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.961 0.41 . . . . 0.0 110.441 179.248 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.418 ' N ' ' HG3' ' A' ' 22' ' ' ARG . 0.2 OUTLIER -61.33 -34.24 74.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.684 179.457 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.4 21.58 13.95 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.879 0.371 . . . . 0.0 111.536 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.675 ' HB2' ' O ' ' A' ' 21' ' ' TYR . 0.0 OUTLIER -112.18 -53.5 2.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.9 -179.77 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.535 ' CB ' ' HB2' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -71.94 -19.26 61.93 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.999 -178.929 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.438 ' OE1' ' NH1' ' A' ' 31' ' ' ARG . 0.2 OUTLIER -72.71 58.0 0.43 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.919 0.39 . . . . 0.0 110.784 -179.68 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.476 ' CG2' ' H ' ' A' ' 29' ' ' GLU . 8.5 t -175.8 -57.21 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.682 -179.744 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.476 ' H ' ' CG2' ' A' ' 28' ' ' THR . 16.8 pt-20 -173.19 29.33 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.907 -179.123 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.452 ' O ' ' HB2' ' A' ' 26' ' ' SER . 1.2 m-20 -139.13 44.56 2.01 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.938 0.399 . . . . 0.0 111.41 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.499 ' HA ' ' HB2' ' A' ' 26' ' ' SER . 17.0 mmm180 -54.55 -53.14 58.39 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 121.135 0.493 . . . . 0.0 110.671 179.726 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -55.62 -41.89 74.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.969 179.252 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.427 HD12 ' CB ' ' B' ' 95' ' ' SER . 4.2 tp -57.31 -32.63 66.87 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.245 179.147 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.535 ' HB2' ' CB ' ' A' ' 26' ' ' SER . 4.2 ttp180 -63.37 -47.68 81.07 Favored 'General case' 0 CA--C 1.515 -0.38 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 178.592 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.2 m -54.71 -36.5 64.78 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.844 -1.071 . . . . 0.0 111.073 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.498 ' HB3' ' NE2' ' B' ' 91' ' ' GLN . 1.0 OUTLIER -70.57 -48.24 56.26 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.981 0.42 . . . . 0.0 110.105 179.507 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.582 ' O ' HG12 ' A' ' 41' ' ' ILE . 9.1 mt -60.61 -36.45 70.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.302 0.572 . . . . 0.0 109.823 178.64 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.82 -52.18 58.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.006 -0.997 . . . . 0.0 112.168 -179.334 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.473 ' HG3' ' HB1' ' B' ' 88' ' ' ALA . 5.9 ptp180 -55.76 -38.57 70.03 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.527 -0.469 . . . . 0.0 109.937 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.443 ' CG1' ' CD1' ' A' ' 44' ' ' PHE . 95.5 t -61.98 -41.61 91.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 178.3 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.582 HG12 ' O ' ' A' ' 37' ' ' ILE . 9.7 mm -54.8 -54.72 20.55 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.481 179.595 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 18.5 p -60.86 -47.84 84.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.854 0.359 . . . . 0.0 110.724 -179.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.486 HG22 HD11 ' A' ' 43' ' ' ILE . 13.2 mt -59.68 -34.82 56.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.082 179.17 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.463 ' HB3' ' CD2' ' A' ' 15' ' ' LEU . 1.5 m-85 -72.43 -56.69 5.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.928 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.403 ' NE2' HG22 ' A' ' 41' ' ' ILE . 3.4 pt20 -79.88 -1.36 38.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.752 -178.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.489 ' CB ' ' CE1' ' B' ' 129' ' ' TYR . 0.4 OUTLIER -49.19 136.73 14.76 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.828 0.347 . . . . 0.0 111.086 -179.893 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -55.52 -34.46 64.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.108 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.411 ' HG ' ' HA ' ' B' ' 129' ' ' TYR . 2.0 tp -79.48 -45.04 20.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.959 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.407 ' CG ' ' O ' ' A' ' 43' ' ' ILE . 55.0 t80 -51.04 -52.24 45.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.157 -179.635 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -58.25 -34.95 71.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.901 0.381 . . . . 0.0 110.507 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.72 -46.21 89.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.682 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.408 ' CD1' ' N ' ' B' ' 129' ' ' TYR . 3.5 mt -61.34 -44.85 96.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.289 179.536 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 56.3 mt -53.46 -40.27 40.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.665 179.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.99 -41.26 91.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.46 179.577 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.414 HG22 ' CG ' ' A' ' 59' ' ' TYR . 55.5 mt -58.77 -34.05 50.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.873 179.643 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -54.03 -20.98 7.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.843 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.411 ' O ' ' CG ' ' A' ' 58' ' ' PHE . 0.2 OUTLIER -46.7 -38.18 9.48 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-O 120.655 0.264 . . . . 0.0 111.493 -179.729 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.411 ' CG ' ' O ' ' A' ' 57' ' ' GLU . 94.5 m-85 -157.52 38.8 0.28 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.65 -179.69 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.431 ' CE2' HD12 ' C' ' 63' ' ' LEU . 57.4 m-85 -139.16 75.42 1.51 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.747 179.653 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -65.37 90.72 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.662 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -72.62 104.51 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.958 0.409 . . . . 0.0 111.015 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.2 m -88.86 107.81 19.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.652 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.445 HD11 ' CE2' ' C' ' 59' ' ' TYR . 0.1 OUTLIER -77.1 142.09 39.93 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.49 179.689 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.464 ' N ' ' CD2' ' A' ' 64' ' ' LEU . 0.1 OUTLIER -121.73 -24.51 5.26 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -179.609 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -177.69 -20.32 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.466 0.364 0 CA-C-O 120.937 0.398 . . . . 0.0 111.482 -179.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.648 0 N-CA-C 110.706 -0.958 . . . . 0.0 110.706 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . 0.587 ' CD2' ' N ' ' B' ' 82' ' ' LEU . 0.3 OUTLIER -73.17 -33.29 65.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.543 0.687 . . . . 0.0 109.894 178.855 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . 0.779 ' O ' ' HB3' ' B' ' 87' ' ' ARG . 0.0 OUTLIER -50.33 -57.42 7.94 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 114.858 -1.064 . . . . 0.0 112.458 -178.537 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . 0.638 ' H ' ' CD2' ' B' ' 83' ' ' LEU . . . -69.37 -26.46 64.68 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.789 -178.549 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 85' ' ' ALA . . . . . 0.559 ' CB ' ' HB3' ' B' ' 126' ' ' LEU . . . -53.12 -25.36 12.93 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.073 0.463 . . . . 0.0 110.245 179.682 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.36 -44.51 1.71 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.02 178.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 87' ' ' ARG . . . . . 0.779 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 9.5 ttt85 -57.67 -48.44 79.49 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.092 179.045 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . 0.473 ' HB1' ' HG3' ' A' ' 39' ' ' ARG . . . -57.44 -47.77 80.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.24 -179.485 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 89' ' ' VAL . . . . . 0.462 HG11 ' CD1' ' B' ' 117' ' ' PHE . 31.3 t -62.94 -29.77 47.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.825 179.562 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.18 -25.88 55.63 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.214 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 91' ' ' GLN . . . . . 0.569 ' HG3' ' O ' ' B' ' 87' ' ' ARG . 1.8 mt-30 -72.19 -50.04 30.78 Favored 'General case' 0 CA--C 1.517 -0.326 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 179.387 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 92' ' ' VAL . . . . . 0.43 HG22 ' HA ' ' A' ' 37' ' ' ILE . 2.7 t -68.27 -27.92 38.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.971 178.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . 0.592 HD21 ' HA ' ' B' ' 114' ' ' HIS . 3.5 mt -67.91 -39.14 83.61 Favored 'General case' 0 C--O 1.231 0.096 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.166 179.581 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -79.25 -33.16 43.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.017 0.437 . . . . 0.0 110.638 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 95' ' ' SER . . . . . 0.427 ' CB ' HD12 ' A' ' 33' ' ' LEU . 0.5 OUTLIER -79.15 -20.4 48.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.273 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . 0.495 HD22 ' CD2' ' B' ' 110' ' ' LEU . 0.1 OUTLIER -38.2 -52.15 1.46 Allowed 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -179.552 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -68.17 -31.06 70.34 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 -179.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.92 -35.75 74.8 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.12 -1.066 . . . . 0.0 108.12 178.111 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 99' ' ' ILE . . . . . 0.506 HG12 ' CD1' ' A' ' 25' ' ' LEU . 34.7 mt -59.25 -47.69 89.51 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.705 0 CA-C-N 114.481 -1.236 . . . . 0.0 109.844 178.519 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . 0.56 ' HB2' ' CD1' ' B' ' 110' ' ' LEU . 7.4 t-160 -56.04 -41.18 74.62 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-O 122.025 0.917 . . . . 0.0 108.594 178.01 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -51.04 -41.79 60.09 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 113.966 -1.47 . . . . 0.0 111.826 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 102' ' ' LEU . . . . . 0.42 HD12 HD21 ' A' ' 25' ' ' LEU . 0.4 OUTLIER -122.91 35.71 4.82 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 -177.436 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 103' ' ' THR . . . . . 0.442 ' OG1' ' O ' ' B' ' 99' ' ' ILE . 43.7 p -153.5 -35.45 0.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.762 179.395 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 24.4 t0 74.01 27.35 1.62 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.066 0.46 . . . . 0.0 110.333 -179.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 105' ' ' SER . . . . . 0.417 ' OG ' ' CE1' ' A' ' 21' ' ' TYR . 4.0 m -60.27 -16.02 30.25 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.471 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 106' ' ' SER . . . . . 0.413 ' CB ' ' O ' ' B' ' 105' ' ' SER . 0.7 OUTLIER 80.03 127.74 0.05 OUTLIER 'General case' 0 C--O 1.232 0.167 0 CA-C-O 120.871 0.367 . . . . 0.0 110.691 -179.786 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . 0.407 ' HA ' HD12 ' B' ' 110' ' ' LEU . 0.3 OUTLIER -56.34 -22.53 31.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.262 -179.746 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.95 -55.23 35.43 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.016 0.436 . . . . 0.0 110.171 179.587 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -63.39 -39.81 95.51 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.644 178.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 110' ' ' LEU . . . . . 0.56 ' CD1' ' HB2' ' B' ' 100' ' ' HIS . 59.6 mt -60.52 -41.05 93.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.272 179.233 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 111' ' ' ASP . . . . . 0.466 ' HA ' ' HD2' ' B' ' 114' ' ' HIS . 16.2 t70 -61.24 -44.98 96.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.914 -179.555 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -58.69 -39.86 81.94 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.628 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 113' ' ' LEU . . . . . 0.434 HD22 ' O ' ' A' ' 14' ' ' ALA . 0.5 OUTLIER -75.35 -27.97 59.41 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.055 -179.737 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 114' ' ' HIS . . . . . 0.592 ' HA ' HD21 ' B' ' 93' ' ' LEU . 0.0 OUTLIER -64.41 -35.84 82.2 Favored 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 178.386 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 3.4 m -75.7 -36.91 59.89 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 178.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 116' ' ' VAL . . . . . 0.413 ' CG1' ' CB ' ' A' ' 14' ' ' ALA . 54.5 t -63.76 -23.48 33.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.83 178.46 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 117' ' ' PHE . . . . . 0.462 ' CD1' HG11 ' B' ' 89' ' ' VAL . 20.9 m-85 -101.11 -31.95 10.81 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.365 -179.744 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 118' ' ' GLN . . . . . 0.401 ' NE2' ' CD1' ' B' ' 93' ' ' LEU . 0.0 OUTLIER -67.65 -28.13 67.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.456 -179.329 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -44.02 114.94 0.74 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.697 -179.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.85 -44.99 95.72 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.54 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 30.9 m80 -56.46 -34.36 66.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.479 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . 0.404 ' CD2' ' O ' ' B' ' 116' ' ' VAL . 37.5 tp -56.1 -48.47 76.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.304 179.658 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 123' ' ' HIS . . . . . 0.5 ' HA ' ' CD1' ' B' ' 126' ' ' LEU . 50.6 m170 -53.6 -27.26 25.73 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.88 178.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 124' ' ' THR . . . . . 0.405 HG21 HD13 ' A' ' 63' ' ' LEU . 1.7 m -73.84 -37.22 64.88 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.335 178.675 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . 0.418 ' O ' ' HB3' ' B' ' 129' ' ' TYR . 3.1 mt -73.01 -32.4 65.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.586 178.627 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . 0.559 ' HB3' ' CB ' ' B' ' 85' ' ' ALA . 5.1 mt -72.99 -46.53 51.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.143 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.74 -49.97 64.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.085 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . 0.445 HD23 ' CD2' ' C' ' 59' ' ' TYR . 32.8 mt -60.87 -37.9 83.73 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.564 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 129' ' ' TYR . . . . . 0.489 ' CE1' ' CB ' ' A' ' 46' ' ' SER . 0.5 OUTLIER -59.51 -50.9 72.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.079 -179.673 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 130' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -75.36 -17.23 60.28 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.687 -179.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.22 -52.08 11.77 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.722 0.296 . . . . 0.0 110.8 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 132' ' ' ILE . . . . . 0.411 ' HB ' ' CD2' ' A' ' 48' ' ' LEU . 2.5 mt -71.16 -35.52 58.78 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 CA-C-O 120.925 0.393 . . . . 0.0 110.546 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 133' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -60.84 -25.1 66.38 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.977 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 54.5 m -84.43 -26.32 28.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.698 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.31 -30.71 15.69 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.501 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 19.3 m . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.101 -179.826 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.232 0 CA-C-O 120.527 0.203 . . . . 0.0 110.48 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 17.1 mttt -66.65 -36.9 83.66 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 121.24 0.543 . . . . 0.0 109.589 178.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 24.2 mm-40 -78.13 -28.32 48.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.905 178.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -80.82 -30.71 35.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.198 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 3.1 p -73.08 -42.25 63.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.19 179.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -68.22 -43.39 78.07 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.063 179.265 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 2.9 ttp180 -67.33 -25.58 66.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.987 179.009 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 14' ' ' ALA . . . . . 0.515 ' O ' HD21 ' D' ' 113' ' ' LEU . . . -78.49 -55.24 5.37 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 121.234 0.54 . . . . 0.0 109.685 178.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 15' ' ' LEU . . . . . 0.509 ' HB3' ' CD2' ' C' ' 44' ' ' PHE . 0.3 OUTLIER -63.06 -29.14 70.58 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.701 179.152 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 16' ' ' HIS . . . . . . . . . . . . . 31.6 t60 -71.13 -46.49 61.5 Favored 'General case' 0 CA--C 1.518 -0.267 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 178.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . 0.404 ' HB3' HD12 ' D' ' 113' ' ' LEU . 1.9 mt -60.64 -36.32 78.36 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.187 178.386 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . 0.43 ' HB3' ' CG2' ' C' ' 37' ' ' ILE . 39.0 mt -59.01 -45.54 90.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 114.98 -1.009 . . . . 0.0 110.428 179.44 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -59.4 -42.66 92.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.18 0.514 . . . . 0.0 110.694 179.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.1 -36.36 72.17 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.051 179.53 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 21' ' ' TYR . . . . . 0.505 ' O ' ' HB2' ' C' ' 25' ' ' LEU . 11.4 m-30 -66.28 -46.12 78.11 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.815 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 22' ' ' ARG . . . . . 0.406 ' HB3' ' HB ' ' C' ' 37' ' ' ILE . 0.2 OUTLIER -60.41 -38.65 84.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.913 0.387 . . . . 0.0 110.487 179.551 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 24.4 p -58.44 -48.18 81.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.037 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 24' ' ' LYS . . . . . 0.419 ' HG3' ' CG2' ' D' ' 103' ' ' THR . 2.8 ptpt -80.3 -32.1 38.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.006 0.431 . . . . 0.0 111.382 -179.767 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 25' ' ' LEU . . . . . 0.505 ' HB2' ' O ' ' C' ' 21' ' ' TYR . 0.5 OUTLIER -61.07 -74.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.396 -179.223 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 26' ' ' SER . . . . . 0.493 ' HB2' ' HB2' ' C' ' 34' ' ' ARG . 30.2 t -62.21 -147.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.789 -179.42 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 27' ' ' GLN . . . . . 0.408 ' OE1' ' NH1' ' C' ' 31' ' ' ARG . 0.0 OUTLIER 47.96 27.41 1.17 Allowed 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 120.982 0.42 . . . . 0.0 110.311 -179.467 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 28' ' ' THR . . . . . 0.455 ' CG2' ' N ' ' C' ' 29' ' ' GLU . 2.2 t -153.33 -49.54 0.1 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.766 -179.755 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 29' ' ' GLU . . . . . 0.455 ' N ' ' CG2' ' C' ' 28' ' ' THR . 8.9 pt-20 -177.15 26.73 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.828 -0.623 . . . . 0.0 111.693 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 30' ' ' ASP . . . . . 0.488 ' CB ' HD22 ' C' ' 25' ' ' LEU . 0.9 OUTLIER -143.9 59.65 1.37 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.163 0.506 . . . . 0.0 111.076 -179.773 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . 0.408 ' NH1' ' OE1' ' C' ' 27' ' ' GLN . 16.0 mmm180 -67.29 -53.06 33.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.382 179.551 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.81 -51.54 69.57 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.774 179.037 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 33' ' ' LEU . . . . . 0.442 HD21 ' HB3' ' D' ' 95' ' ' SER . 11.9 tp -51.49 -34.35 35.37 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.026 178.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 34' ' ' ARG . . . . . 0.493 ' HB2' ' HB2' ' C' ' 26' ' ' SER . 7.6 ttp180 -60.6 -48.39 81.98 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.362 178.717 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 35' ' ' SER . . . . . 0.404 ' O ' ' HG2' ' C' ' 39' ' ' ARG . 5.9 m -55.01 -33.57 62.72 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.379 179.296 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 36' ' ' SER . . . . . 0.477 ' O ' ' HG2' ' C' ' 39' ' ' ARG . 4.3 m -65.75 -50.39 64.94 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-O 121.027 0.441 . . . . 0.0 110.579 179.512 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 37' ' ' ILE . . . . . 0.602 ' O ' HG12 ' C' ' 41' ' ' ILE . 33.9 mt -59.96 -38.2 75.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.202 0.525 . . . . 0.0 109.728 178.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -63.14 -52.01 64.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.939 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 39' ' ' ARG . . . . . 0.647 ' HG3' ' HB2' ' D' ' 88' ' ' ALA . 3.3 ptp180 -55.09 -40.07 70.02 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.232 -179.639 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . 0.46 ' CG1' ' CD1' ' C' ' 44' ' ' PHE . 93.9 t -61.26 -39.91 84.23 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 178.044 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 41' ' ' ILE . . . . . 0.602 HG12 ' O ' ' C' ' 37' ' ' ILE . 14.0 mm -54.62 -59.05 2.53 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.286 179.526 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 17.1 t -58.98 -46.7 87.46 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.947 0.403 . . . . 0.0 110.739 -179.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 43' ' ' ILE . . . . . . . . . . . . . 13.1 mt -60.06 -34.46 56.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.148 179.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 44' ' ' PHE . . . . . 0.509 ' CD2' ' HB3' ' C' ' 15' ' ' LEU . 1.3 m-85 -72.26 -57.39 4.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.418 179.706 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 45' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -77.62 -2.64 36.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.578 -179.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 46' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -46.91 137.39 7.36 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-O 120.947 0.403 . . . . 0.0 111.307 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -59.51 -34.13 72.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.045 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . 0.444 ' CD2' ' HB ' ' D' ' 132' ' ' ILE . 0.6 OUTLIER -79.45 -47.99 14.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.683 179.927 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 49' ' ' PHE . . . . . 0.413 ' CE1' HD22 ' D' ' 126' ' ' LEU . 54.7 t80 -51.53 -55.93 16.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.276 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 49.9 mm-40 -57.01 -37.2 71.35 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.95 0.405 . . . . 0.0 110.712 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.48 -42.3 87.19 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.424 179.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 1.8 mt -63.03 -44.18 96.64 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 121.21 0.528 . . . . 0.0 110.073 179.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 20.7 mt -54.77 -34.84 31.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.446 179.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -70.37 -40.45 73.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.256 179.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 55' ' ' ILE . . . . . 0.447 HD11 HG21 ' C' ' 55' ' ' ILE . 79.0 mt -57.58 -41.0 78.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.726 179.446 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 56' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -52.41 -23.86 6.76 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.691 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 57' ' ' GLU . . . . . 0.407 ' O ' ' CD2' ' C' ' 58' ' ' PHE . 77.2 mt-10 -47.84 -30.98 4.5 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.278 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 58' ' ' PHE . . . . . 0.427 ' CA ' ' HG ' ' A' ' 64' ' ' LEU . 63.6 m-85 -158.11 32.6 0.25 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.531 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 59' ' ' TYR . . . . . 0.445 ' CD2' HD23 ' B' ' 128' ' ' LEU . 39.8 m-85 -140.93 89.02 2.22 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.598 179.619 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -73.39 94.15 2.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.683 0.278 . . . . 0.0 110.951 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 61' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -72.89 98.91 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-O 120.921 0.391 . . . . 0.0 110.877 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 62' ' ' THR . . . . . . . . . . . . . 1.7 m -84.6 106.76 16.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.723 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 63' ' ' LEU . . . . . 0.431 HD12 ' CE2' ' A' ' 59' ' ' TYR . 0.2 OUTLIER -81.45 128.43 33.87 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.582 179.733 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 64' ' ' LEU . . . . . 0.474 ' CD2' ' N ' ' C' ' 64' ' ' LEU . 0.1 OUTLIER -110.28 -20.13 12.75 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.084 -179.795 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 65' ' ' ASP . . . . . 0.411 ' HB2' ' CB ' ' A' ' 58' ' ' PHE . 0.4 OUTLIER -86.34 4.99 36.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.903 179.51 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 66' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.334 -0.106 0 CA-C-O 120.821 0.344 . . . . 0.0 111.252 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.205 0 N-CA-C 111.272 -0.731 . . . . 0.0 111.272 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 82' ' ' LEU . . . . . 0.612 ' HA ' ' CG ' ' D' ' 130' ' ' ASP . 5.5 tt -99.13 -24.79 14.75 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.307 -0.446 . . . . 0.0 111.104 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 83' ' ' LEU . . . . . 0.659 ' O ' ' HB3' ' D' ' 87' ' ' ARG . 0.0 OUTLIER -67.92 -54.89 15.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.111 0.482 . . . . 0.0 110.811 -179.845 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' D' D ' 84' ' ' ALA . . . . . 0.605 ' O ' ' HB3' ' D' ' 88' ' ' ALA . . . -68.94 -23.67 64.18 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.276 -0.875 . . . . 0.0 112.008 -178.586 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 85' ' ' ALA . . . . . . . . . . . . . . . -52.74 -22.63 5.47 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.163 179.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 86' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -129.24 -44.94 1.25 Allowed 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.914 178.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 87' ' ' ARG . . . . . 0.659 ' HB3' ' O ' ' D' ' 83' ' ' LEU . 11.5 ttt85 -58.01 -43.24 86.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.41 179.193 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 88' ' ' ALA . . . . . 0.647 ' HB2' ' HG3' ' C' ' 39' ' ' ARG . . . -59.41 -49.6 77.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.444 -179.526 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 89' ' ' VAL . . . . . 0.523 ' CG1' ' HB3' ' D' ' 117' ' ' PHE . 44.3 t -63.87 -52.39 57.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.049 -179.698 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 3.5 t -54.76 -27.22 39.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.142 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 91' ' ' GLN . . . . . 0.469 ' NE2' ' HG2' ' D' ' 87' ' ' ARG . 26.2 mt-30 -70.4 -56.97 5.38 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-O 121.247 0.546 . . . . 0.0 110.059 179.75 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 92' ' ' VAL . . . . . 0.42 ' CG2' ' HA ' ' C' ' 37' ' ' ILE . 4.2 t -66.03 -28.11 42.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.307 179.533 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 93' ' ' LEU . . . . . 0.481 HD21 ' HA ' ' D' ' 114' ' ' HIS . 1.3 mt -69.6 -34.84 74.67 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.404 179.735 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -84.75 -37.84 20.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.923 0.392 . . . . 0.0 111.037 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 95' ' ' SER . . . . . 0.443 ' O ' ' N ' ' D' ' 98' ' ' GLU . 0.6 OUTLIER -79.96 -20.8 44.71 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.991 -179.593 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' D' D ' 96' ' ' LEU . . . . . 0.615 ' O ' ' HB ' ' D' ' 99' ' ' ILE . 0.1 OUTLIER -36.53 -52.31 0.86 Allowed 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 -179.224 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -67.39 -31.17 71.21 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.947 0.403 . . . . 0.0 110.921 -179.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 98' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' D' ' 95' ' ' SER . 0.0 OUTLIER -68.31 -35.19 77.44 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 177.443 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' D' D ' 99' ' ' ILE . . . . . 0.615 ' HB ' ' O ' ' D' ' 96' ' ' LEU . 6.0 mt -58.36 -49.45 81.96 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.711 0 CA-C-N 114.292 -1.322 . . . . 0.0 110.231 178.544 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 100' ' ' HIS . . . . . 0.547 ' HB2' ' CD1' ' D' ' 110' ' ' LEU . 11.2 t-160 -56.21 -39.41 72.42 Favored 'General case' 0 CA--C 1.515 -0.393 0 CA-C-O 121.977 0.894 . . . . 0.0 108.704 178.456 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 101' ' ' ALA . . . . . . . . . . . . . . . -52.19 -43.48 64.19 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.001 -1.454 . . . . 0.0 112.077 179.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 102' ' ' LEU . . . . . 0.444 ' CD1' HD21 ' C' ' 25' ' ' LEU . 0.4 OUTLIER -119.25 31.57 6.54 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -177.4 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' D' D ' 103' ' ' THR . . . . . 0.419 ' CG2' ' HG3' ' C' ' 24' ' ' LYS . 34.2 p -149.18 -32.86 0.21 Allowed 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.994 -0.283 . . . . 0.0 111.613 179.6 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 69.09 28.27 5.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.082 0.467 . . . . 0.0 110.101 -179.231 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 105' ' ' SER . . . . . 0.451 ' CB ' ' CE1' ' C' ' 21' ' ' TYR . 2.2 p -51.0 -84.79 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.054 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 106' ' ' SER . . . . . 0.401 ' CB ' ' O ' ' D' ' 105' ' ' SER . 0.5 OUTLIER 164.47 108.08 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.046 179.907 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -47.66 -32.79 6.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.881 0.372 . . . . 0.0 110.658 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.01 -45.37 89.28 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 179.183 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 109' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -69.96 -35.51 74.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.641 178.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 110' ' ' LEU . . . . . 0.547 ' CD1' ' HB2' ' D' ' 100' ' ' HIS . 63.5 mt -65.16 -42.37 93.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.957 179.191 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 111' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -62.62 -41.2 98.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.53 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 112' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -59.03 -44.98 91.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.35 179.498 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 113' ' ' LEU . . . . . 0.515 HD21 ' O ' ' C' ' 14' ' ' ALA . 0.5 OUTLIER -70.04 -40.22 75.27 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.747 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' D' D ' 114' ' ' HIS . . . . . 0.481 ' HA ' HD21 ' D' ' 93' ' ' LEU . 1.6 t-80 -57.57 -32.89 67.6 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 178.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 115' ' ' SER . . . . . . . . . . . . . 10.3 t -74.81 -38.38 62.08 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 177.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 116' ' ' VAL . . . . . 0.432 ' HB ' ' HA ' ' D' ' 113' ' ' LEU . 14.7 t -62.54 -23.76 33.4 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.163 177.643 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 117' ' ' PHE . . . . . 0.523 ' HB3' ' CG1' ' D' ' 89' ' ' VAL . 25.1 m-85 -97.48 -32.5 11.8 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.186 -0.915 . . . . 0.0 111.403 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 118' ' ' GLN . . . . . 0.448 ' NE2' ' CD2' ' D' ' 114' ' ' HIS . 0.0 OUTLIER -69.07 -29.5 67.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.516 -179.13 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -42.93 114.15 0.57 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.648 -179.389 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 120' ' ' GLN . . . . . . . . . . . . . 3.2 tm0? -59.18 -44.13 92.18 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.628 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 121' ' ' HIS . . . . . . . . . . . . . 57.1 m-70 -55.85 -33.64 64.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.593 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 122' ' ' LEU . . . . . 0.401 ' CD2' ' O ' ' D' ' 116' ' ' VAL . 39.1 tp -55.52 -46.7 76.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.649 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 123' ' ' HIS . . . . . 0.45 ' HA ' ' CD1' ' D' ' 126' ' ' LEU . 0.0 OUTLIER -57.26 -25.54 59.36 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 179.191 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' D' D ' 124' ' ' THR . . . . . 0.439 ' N ' ' CD2' ' D' ' 123' ' ' HIS . 2.0 m -73.38 -37.5 65.97 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 178.751 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 125' ' ' LEU . . . . . . . . . . . . . 6.2 mt -71.99 -33.32 68.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.417 178.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 126' ' ' LEU . . . . . 0.45 ' CD1' ' HA ' ' D' ' 123' ' ' HIS . 7.8 mt -73.44 -50.79 19.86 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.941 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 127' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -60.19 -39.35 86.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.947 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 128' ' ' LEU . . . . . 0.427 HD21 ' CE2' ' A' ' 59' ' ' TYR . 33.7 mt -73.52 -39.39 64.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.569 179.773 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 129' ' ' TYR . . . . . 0.41 ' HA ' ' HG ' ' C' ' 48' ' ' LEU . 4.0 t80 -55.87 -42.07 75.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.271 179.641 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 130' ' ' ASP . . . . . 0.612 ' CG ' ' HA ' ' D' ' 82' ' ' LEU . 0.1 OUTLIER -76.24 -40.13 52.76 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.186 179.731 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' D' D ' 131' ' ' LYS . . . . . . . . . . . . . 4.3 tptt -54.48 -54.2 44.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.394 -179.262 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 132' ' ' ILE . . . . . 0.444 ' HB ' ' CD2' ' C' ' 48' ' ' LEU . 1.9 mt -74.11 -35.56 41.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.937 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 133' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -67.59 -30.91 70.63 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.985 -179.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 134' ' ' THR . . . . . . . . . . . . . 66.2 m -86.27 -30.3 22.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.117 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.69 -38.33 64.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.602 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 136' ' ' SER . . . . . . . . . . . . . 16.2 t . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.888 179.875 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.92 -39.89 94.2 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 179.067 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -78.79 -27.27 44.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.264 179.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.73 -32.23 41.13 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.515 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.2 p -75.08 -42.28 57.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.355 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.01 -37.16 75.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.242 179.565 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.4 ttm180 -74.98 -25.22 58.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.063 179.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.433 ' O ' HD21 ' B' ' 113' ' ' LEU . . . -78.46 -51.74 9.56 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.824 178.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.474 ' CD2' ' HB3' ' A' ' 44' ' ' PHE . 0.4 OUTLIER -64.5 -27.05 68.71 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.719 179.621 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 17.3 t-160 -72.72 -45.13 60.3 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 178.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.415 HD21 ' CE1' ' A' ' 21' ' ' TYR . 3.8 mt -63.01 -33.61 75.8 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.009 178.281 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.434 ' HB3' ' CG2' ' A' ' 37' ' ' ILE . 37.6 mt -62.41 -47.95 81.87 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.524 179.505 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.44 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 8.6 mt-10 -59.59 -39.48 84.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.818 179.704 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -74.72 -35.4 62.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.968 179.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.684 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 3.9 m-30 -66.1 -48.56 70.5 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.626 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.483 ' HB3' ' HB ' ' A' ' 37' ' ' ILE . 0.0 OUTLIER -63.99 -31.48 72.68 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 178.367 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.7 m -58.5 -45.82 87.98 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.421 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.632 ' HE2' ' HA ' ' A' ' 21' ' ' TYR . 0.0 OUTLIER -103.36 -4.18 24.52 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 120.568 -0.453 . . . . 0.0 111.475 -179.806 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.684 ' HB2' ' O ' ' A' ' 21' ' ' TYR . 0.1 OUTLIER -77.21 -59.41 2.79 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.023 0.439 . . . . 0.0 109.92 178.751 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.41 ' HB3' ' HB2' ' A' ' 34' ' ' ARG . 5.0 p -66.28 -158.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.848 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 57.72 32.87 22.51 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-O 120.955 0.407 . . . . 0.0 110.568 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.493 ' CG2' ' H ' ' A' ' 29' ' ' GLU . 4.1 t -153.08 -59.43 0.14 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.047 -179.6 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.493 ' H ' ' CG2' ' A' ' 28' ' ' THR . 20.3 pt-20 -173.62 28.28 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.603 -179.47 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.495 ' HB2' HD23 ' A' ' 25' ' ' LEU . 3.9 m-20 -145.84 46.16 1.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.853 0.359 . . . . 0.0 110.914 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.6 -54.83 42.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.283 0.563 . . . . 0.0 110.467 179.77 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -54.08 -46.52 72.06 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.858 178.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.407 ' CD2' ' HB3' ' B' ' 95' ' ' SER . 8.4 tp -53.66 -36.67 62.35 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.935 178.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.41 ' HB2' ' HB3' ' A' ' 26' ' ' SER . 15.5 ttp180 -60.61 -43.5 97.38 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.401 178.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.2 t -58.0 -35.58 71.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.303 179.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.475 ' O ' ' HG2' ' A' ' 39' ' ' ARG . 70.8 m -66.04 -51.04 61.82 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.052 0.453 . . . . 0.0 110.255 179.411 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.585 ' O ' HG12 ' A' ' 41' ' ' ILE . 30.4 mt -58.33 -41.22 80.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.773 179.075 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -65.7 -51.55 58.46 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.07 -0.968 . . . . 0.0 112.507 -179.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.727 ' HG3' ' HB2' ' B' ' 88' ' ' ALA . 8.1 ptp180 -55.87 -33.34 64.48 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.478 -0.489 . . . . 0.0 110.092 -179.504 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 86.4 t -66.19 -44.34 91.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 178.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.585 HG12 ' O ' ' A' ' 37' ' ' ILE . 17.1 mm -50.71 -53.04 14.68 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.263 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.199 179.318 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.1 t -59.49 -47.1 86.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.744 0.307 . . . . 0.0 110.75 -179.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 9.9 mt -59.72 -34.0 54.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 121.122 0.487 . . . . 0.0 109.953 179.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.474 ' HB3' ' CD2' ' A' ' 15' ' ' LEU . 2.8 m-85 -72.45 -56.47 5.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.017 179.279 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.507 ' HG3' ' O ' ' A' ' 41' ' ' ILE . 25.8 mt-30 -64.77 -25.92 68.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.515 -179.427 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.482 ' CB ' ' CE1' ' B' ' 129' ' ' TYR . 0.6 OUTLIER -33.86 122.81 0.46 Allowed 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.804 -179.312 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -50.2 -31.63 14.35 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.145 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.41 ' CD2' ' O ' ' B' ' 129' ' ' TYR . 1.9 tp -79.41 -42.84 24.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.721 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -51.12 -55.51 17.4 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.938 0.399 . . . . 0.0 110.744 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 35.3 mm-40 -59.63 -32.89 70.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.231 -0.44 . . . . 0.0 109.957 179.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.97 -45.94 89.32 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.256 179.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.419 ' CD1' ' N ' ' B' ' 129' ' ' TYR . 1.8 mt -61.34 -45.16 95.57 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.197 179.401 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 9.0 mt -53.42 -37.18 28.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.715 179.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.02 -35.64 66.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.493 179.496 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.443 HG22 ' CG ' ' A' ' 59' ' ' TYR . 75.1 mt -62.56 -42.04 94.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.695 179.649 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -52.88 -24.0 8.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.444 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -48.6 -29.49 4.35 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.328 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.446 ' CG ' ' HB2' ' C' ' 65' ' ' ASP . 51.2 m-85 -154.87 25.36 0.44 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.481 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.443 ' CG ' HG22 ' A' ' 55' ' ' ILE . 46.4 m-85 -136.24 83.16 1.99 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.504 179.698 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -70.29 93.99 0.89 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.04 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -72.93 96.99 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.888 0.375 . . . . 0.0 110.908 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.2 m -81.22 110.54 16.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.492 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.424 HD11 ' CE2' ' C' ' 59' ' ' TYR . 0.1 OUTLIER -84.64 127.43 34.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.475 ' N ' ' CD2' ' A' ' 64' ' ' LEU . 0.1 OUTLIER -110.35 -24.47 10.62 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.857 -179.775 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.432 ' HB2' ' CG ' ' C' ' 58' ' ' PHE . 20.3 t0 -66.86 -13.35 61.53 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.968 179.579 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 . . . . . 0 CA--C 1.529 0.136 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.334 -179.85 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.727 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . 0.588 ' CD2' ' N ' ' B' ' 82' ' ' LEU . 0.3 OUTLIER -80.46 -32.48 37.15 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.065 0.46 . . . . 0.0 110.805 179.843 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . 0.761 ' O ' ' HB3' ' B' ' 87' ' ' ARG . 0.2 OUTLIER -60.12 -50.91 71.82 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.302 -178.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . 0.572 ' H ' ' CD2' ' B' ' 83' ' ' LEU . . . -72.59 -23.45 60.95 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.461 -178.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 85' ' ' ALA . . . . . 0.53 ' CB ' ' HB3' ' B' ' 126' ' ' LEU . . . -52.59 -27.15 15.69 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.151 0.501 . . . . 0.0 109.938 179.449 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -125.21 -43.41 1.94 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.034 179.019 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 87' ' ' ARG . . . . . 0.761 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 12.0 ttt85 -57.74 -49.35 76.86 Favored 'General case' 0 CA--C 1.521 -0.144 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.086 179.14 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . 0.727 ' HB2' ' HG3' ' A' ' 39' ' ' ARG . . . -56.75 -49.36 75.47 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.587 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 89' ' ' VAL . . . . . 0.462 ' CG1' ' CD1' ' B' ' 117' ' ' PHE . 74.9 t -67.99 -28.89 42.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.018 178.669 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 43.6 t -76.06 -30.19 58.28 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.838 179.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 91' ' ' GLN . . . . . 0.551 ' HG3' ' O ' ' B' ' 87' ' ' ARG . 17.5 mt-30 -66.27 -52.95 42.44 Favored 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 109.327 -0.619 . . . . 0.0 109.327 179.209 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 10.5 t -66.94 -27.73 40.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.127 179.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . 0.601 HD23 ' HA ' ' B' ' 114' ' ' HIS . 3.1 mt -69.03 -36.87 78.23 Favored 'General case' 0 C--O 1.231 0.081 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.428 179.681 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -82.79 -34.8 26.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.934 0.397 . . . . 0.0 110.847 -179.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 95' ' ' SER . . . . . 0.407 ' HB3' ' CD2' ' A' ' 33' ' ' LEU . 4.7 m -79.34 -16.9 55.56 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.751 -179.76 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . 0.584 HD23 ' CD2' ' B' ' 110' ' ' LEU . 0.1 OUTLIER -37.71 -52.4 1.25 Allowed 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -179.337 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -66.65 -29.46 69.49 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.492 -179.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' B' ' 95' ' ' SER . 0.0 OUTLIER -72.36 -38.7 68.5 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 178.19 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 99' ' ' ILE . . . . . 0.46 HG12 ' CD1' ' A' ' 25' ' ' LEU . 23.0 mt -57.94 -47.18 87.13 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.727 0 CA-C-N 114.534 -1.212 . . . . 0.0 109.621 178.289 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . 0.508 ' HB2' ' CD1' ' B' ' 110' ' ' LEU . 13.7 t-160 -57.39 -39.69 76.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.904 0.859 . . . . 0.0 108.751 178.113 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -53.04 -40.77 64.2 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 114.013 -1.449 . . . . 0.0 111.921 179.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 102' ' ' LEU . . . . . 0.437 ' CD1' HD22 ' A' ' 25' ' ' LEU . 0.4 OUTLIER -123.33 34.14 5.18 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.135 0.791 . . . . 0.0 113.135 -177.272 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 103' ' ' THR . . . . . 0.458 ' HB ' ' NZ ' ' A' ' 24' ' ' LYS . 43.2 p -150.18 -35.37 0.16 Allowed 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.552 -0.459 . . . . 0.0 112.024 179.584 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 5.8 t0 75.99 27.43 0.93 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.147 0.499 . . . . 0.0 109.906 -178.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 105' ' ' SER . . . . . 0.424 ' HB3' ' CZ ' ' A' ' 21' ' ' TYR . 0.0 OUTLIER -59.62 -18.04 38.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.538 -0.756 . . . . 0.0 111.556 -179.793 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 1.6 p 77.16 125.78 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.484 -179.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . 0.486 ' HA ' ' HB2' ' B' ' 110' ' ' LEU . 0.3 OUTLIER -56.76 -20.65 23.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.425 -179.611 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 6.3 mmtt -62.53 -55.76 24.39 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.897 0.38 . . . . 0.0 110.454 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -66.46 -38.94 88.45 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.403 0.62 . . . . 0.0 109.374 178.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 110' ' ' LEU . . . . . 0.584 ' CD2' HD23 ' B' ' 96' ' ' LEU . 16.1 mt -61.57 -37.16 82.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.279 179.065 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 111' ' ' ASP . . . . . 0.472 ' HA ' ' HD2' ' B' ' 114' ' ' HIS . 10.5 t70 -66.21 -43.21 87.38 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.548 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -58.95 -38.39 78.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.553 179.654 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 113' ' ' LEU . . . . . 0.433 HD21 ' O ' ' A' ' 14' ' ' ALA . 0.5 OUTLIER -75.71 -29.57 59.0 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.161 -179.814 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 114' ' ' HIS . . . . . 0.601 ' HA ' HD23 ' B' ' 93' ' ' LEU . 0.0 OUTLIER -64.62 -34.34 78.04 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 178.515 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 48.4 t -77.24 -38.4 51.22 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.147 178.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 116' ' ' VAL . . . . . 0.406 HG13 ' CB ' ' A' ' 14' ' ' ALA . 24.1 t -61.14 -23.97 31.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.807 178.545 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 117' ' ' PHE . . . . . 0.462 ' CD1' ' CG1' ' B' ' 89' ' ' VAL . 22.8 m-85 -99.82 -37.23 9.15 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.233 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 118' ' ' GLN . . . . . 0.406 ' NE2' ' CD1' ' B' ' 93' ' ' LEU . 0.0 OUTLIER -60.63 -28.28 68.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.271 -179.49 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -46.11 116.83 1.34 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.481 -179.671 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -62.11 -39.43 92.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.731 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 121' ' ' HIS . . . . . 0.424 ' O ' ' HG ' ' B' ' 125' ' ' LEU . 8.4 m-70 -59.58 -35.38 74.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.66 179.718 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 43.9 tp -56.45 -49.18 75.33 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.491 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 123' ' ' HIS . . . . . 0.517 ' HA ' ' CD1' ' B' ' 126' ' ' LEU . 45.6 m-70 -53.45 -28.86 32.52 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.037 0.446 . . . . 0.0 110.014 179.128 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 124' ' ' THR . . . . . 0.411 ' O ' ' HG ' ' B' ' 128' ' ' LEU . 1.4 m -72.48 -37.09 68.56 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.806 -0.633 . . . . 0.0 109.339 178.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . 0.452 ' O ' ' HB3' ' B' ' 129' ' ' TYR . 3.2 mt -72.14 -33.47 67.79 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.628 178.638 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . 0.53 ' HB3' ' CB ' ' B' ' 85' ' ' ALA . 4.0 mt -72.9 -50.54 23.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.593 -0.731 . . . . 0.0 111.164 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 127' ' ' ASP . . . . . 0.401 ' O ' ' HB2' ' B' ' 131' ' ' LYS . 9.3 m-20 -61.09 -52.77 63.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.363 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . 0.431 HD23 ' CD2' ' C' ' 59' ' ' TYR . 28.0 mt -60.43 -40.64 91.84 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.535 -179.492 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 129' ' ' TYR . . . . . 0.482 ' CE1' ' CB ' ' A' ' 46' ' ' SER . 0.2 OUTLIER -56.62 -52.67 63.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.882 0.372 . . . . 0.0 111.608 -179.183 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 130' ' ' ASP . . . . . 0.449 ' HB2' ' CD2' ' B' ' 82' ' ' LEU . 0.0 OUTLIER -76.45 -33.25 58.75 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.364 -179.801 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 131' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' B' ' 127' ' ' ASP . 9.6 tmtm? -59.28 -42.37 91.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.647 0.26 . . . . 0.0 110.77 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 5.5 mt -75.21 -38.43 41.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.989 0.423 . . . . 0.0 110.005 179.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 133' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -70.12 -25.6 63.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.97 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 134' ' ' THR . . . . . 0.402 HG21 ' N ' ' B' ' 135' ' ' LYS . 1.2 t -82.03 -29.08 32.15 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.96 0.409 . . . . 0.0 110.846 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 135' ' ' LYS . . . . . 0.402 ' N ' HG21 ' B' ' 134' ' ' THR . 0.0 OUTLIER -69.07 -36.97 78.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.631 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 7' ' ' ARG . . . . . . . . . . . . . 21.6 ttm180 . . . . . 0 N--CA 1.456 -0.151 0 N-CA-C 110.473 -0.195 . . . . 0.0 110.473 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 9.1 mmmt -64.95 -40.01 94.37 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-O 121.196 0.522 . . . . 0.0 109.603 179.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -72.99 -30.58 63.91 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.483 178.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -78.0 -30.38 50.08 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.598 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -73.72 -38.33 64.84 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.432 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 12' ' ' GLN . . . . . 0.416 ' O ' ' CG ' ' C' ' 16' ' ' HIS . 0.6 OUTLIER -69.77 -43.26 72.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.193 179.449 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 9.3 ttm180 -68.05 -26.89 66.09 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.089 179.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 14' ' ' ALA . . . . . 0.474 ' O ' HD23 ' D' ' 113' ' ' LEU . . . -78.55 -54.62 5.95 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 178.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 15' ' ' LEU . . . . . 0.454 ' CD2' ' HB3' ' C' ' 44' ' ' PHE . 0.3 OUTLIER -64.11 -28.26 69.65 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.762 179.325 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 16' ' ' HIS . . . . . 0.416 ' CG ' ' O ' ' C' ' 12' ' ' GLN . 20.7 m170 -73.09 -43.5 61.71 Favored 'General case' 0 CA--C 1.519 -0.237 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 178.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . 0.416 HD23 ' CE1' ' C' ' 21' ' ' TYR . 2.4 mt -62.44 -38.13 88.54 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.737 178.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . 0.456 ' HB3' ' CG2' ' C' ' 37' ' ' ILE . 19.5 mt -63.36 -42.85 98.9 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.604 179.654 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . 0.417 ' O ' ' CG ' ' C' ' 22' ' ' ARG . 22.5 mt-10 -59.39 -43.04 93.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -71.3 -33.75 69.98 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.991 179.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 21' ' ' TYR . . . . . 0.664 ' O ' ' HB2' ' C' ' 25' ' ' LEU . 17.5 m-30 -66.32 -48.56 69.91 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.58 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 22' ' ' ARG . . . . . 0.435 ' HB2' ' CG ' ' C' ' 34' ' ' ARG . 9.0 ptt85 -56.68 -44.24 81.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.765 0.316 . . . . 0.0 110.419 179.318 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 23' ' ' SER . . . . . 0.419 ' O ' ' CG ' ' C' ' 27' ' ' GLN . 0.6 OUTLIER -58.83 -33.62 70.61 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.791 179.594 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 24' ' ' LYS . . . . . . . . . . . . . 9.7 ptmt -109.33 13.75 24.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.658 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 25' ' ' LEU . . . . . 0.664 ' HB2' ' O ' ' C' ' 21' ' ' TYR . 0.1 OUTLIER -109.56 -65.03 1.18 Allowed 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -178.62 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 26' ' ' SER . . . . . 0.552 ' HB2' ' HB2' ' C' ' 34' ' ' ARG . 0.0 OUTLIER -64.36 -21.82 66.75 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -177.927 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 27' ' ' GLN . . . . . 0.431 ' OE1' ' NH1' ' C' ' 31' ' ' ARG . 0.9 OUTLIER -73.77 55.78 0.54 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.812 0.339 . . . . 0.0 110.916 -179.517 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 28' ' ' THR . . . . . 0.454 HG21 ' HG2' ' C' ' 29' ' ' GLU . 1.4 t -174.75 -51.57 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.796 179.655 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 29' ' ' GLU . . . . . 0.454 ' HG2' HG21 ' C' ' 28' ' ' THR . 8.5 pt-20 -175.65 28.58 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -179.58 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 30' ' ' ASP . . . . . 0.445 ' CB ' HD22 ' C' ' 25' ' ' LEU . 0.4 OUTLIER -142.07 47.25 1.62 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.989 0.423 . . . . 0.0 111.596 -179.789 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . 0.447 ' HA ' ' HB2' ' C' ' 26' ' ' SER . 11.6 mmm180 -55.45 -52.06 64.87 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 121.189 0.519 . . . . 0.0 110.692 179.55 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.36 -47.63 72.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.15 179.401 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 33' ' ' LEU . . . . . 0.412 ' CD2' HD11 ' C' ' 25' ' ' LEU . 3.2 tp -52.94 -34.55 55.96 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.034 179.21 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 34' ' ' ARG . . . . . 0.552 ' HB2' ' HB2' ' C' ' 26' ' ' SER . 3.7 ttp180 -60.44 -47.83 84.39 Favored 'General case' 0 CA--C 1.513 -0.449 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 178.743 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.1 -34.96 61.56 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.164 -0.925 . . . . 0.0 109.897 179.253 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 36' ' ' SER . . . . . 0.439 ' HB3' ' CD ' ' D' ' 91' ' ' GLN . 1.1 m -69.59 -51.34 36.13 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.082 178.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 37' ' ' ILE . . . . . 0.631 ' O ' HG12 ' C' ' 41' ' ' ILE . 57.7 mt -56.82 -38.57 59.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.876 178.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -61.77 -52.54 63.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.645 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 39' ' ' ARG . . . . . 0.706 ' HG3' ' HB3' ' D' ' 88' ' ' ALA . 7.0 ptp85 -55.87 -34.64 65.67 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.594 -0.443 . . . . 0.0 109.903 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . 0.481 ' O ' ' HB2' ' C' ' 44' ' ' PHE . 95.8 t -68.39 -45.74 81.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 178.293 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 41' ' ' ILE . . . . . 0.631 HG12 ' O ' ' C' ' 37' ' ' ILE . 8.8 mm -55.17 -52.85 40.72 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.108 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.258 179.415 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 40.8 t -63.46 -48.9 75.77 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.859 0.361 . . . . 0.0 110.695 -179.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 43' ' ' ILE . . . . . 0.427 HG13 ' O ' ' C' ' 39' ' ' ARG . 20.6 mt -59.69 -33.16 51.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.126 179.417 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 44' ' ' PHE . . . . . 0.481 ' HB2' ' O ' ' C' ' 40' ' ' VAL . 1.3 m-85 -72.74 -57.57 4.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.621 179.513 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 45' ' ' GLN . . . . . 0.406 ' NE2' HG21 ' C' ' 41' ' ' ILE . 3.3 pt20 -78.44 -2.21 37.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.798 -178.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 46' ' ' SER . . . . . 0.485 ' CB ' ' CE1' ' D' ' 129' ' ' TYR . 0.6 OUTLIER -49.31 137.68 13.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.869 0.366 . . . . 0.0 111.068 -179.861 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -58.89 -34.06 71.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.051 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . 0.4 ' CD2' ' O ' ' D' ' 129' ' ' TYR . 1.9 tp -79.22 -43.83 23.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.074 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 49' ' ' PHE . . . . . 0.4 ' CG ' ' O ' ' C' ' 43' ' ' ILE . 44.5 t80 -51.24 -55.86 15.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.138 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 37.0 mm-40 -56.56 -32.74 65.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.851 0.358 . . . . 0.0 110.427 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.89 -47.33 86.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.618 179.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 52' ' ' LEU . . . . . 0.4 ' CD1' ' N ' ' D' ' 129' ' ' TYR . 1.5 mt -61.07 -44.41 97.42 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.365 179.531 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 16.4 mt -54.33 -38.6 40.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.594 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -67.37 -40.38 85.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.321 179.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 55' ' ' ILE . . . . . 0.416 ' CG2' ' HB2' ' C' ' 59' ' ' TYR . 61.8 mt -60.43 -37.89 76.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.642 179.512 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 56' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -53.39 -22.81 8.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.556 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 57' ' ' GLU . . . . . 0.411 ' O ' ' CD2' ' C' ' 58' ' ' PHE . 62.3 mt-10 -46.75 -32.06 3.38 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.64 0.257 . . . . 0.0 111.38 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 58' ' ' PHE . . . . . 0.432 ' CG ' ' HB2' ' A' ' 65' ' ' ASP . 59.8 m-85 -157.77 28.52 0.27 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.35 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 59' ' ' TYR . . . . . 0.431 ' CD2' HD23 ' B' ' 128' ' ' LEU . 52.7 m-85 -135.33 81.04 1.87 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.77 179.646 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.14 90.79 0.89 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.723 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 61' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -72.8 96.87 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.185 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 62' ' ' THR . . . . . . . . . . . . . 2.8 m -78.73 118.21 20.59 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.177 179.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 63' ' ' LEU . . . . . 0.427 HD13 ' CZ ' ' A' ' 59' ' ' TYR . 0.2 OUTLIER -90.12 131.4 35.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.034 -179.761 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 64' ' ' LEU . . . . . 0.52 ' CD2' ' N ' ' C' ' 64' ' ' LEU . 0.1 OUTLIER -111.85 -28.14 8.18 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.686 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 65' ' ' ASP . . . . . 0.446 ' HB2' ' CG ' ' A' ' 58' ' ' PHE . 0.3 OUTLIER -81.26 -1.73 46.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.134 179.669 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 66' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 . . . . . 0 C--O 1.233 0.187 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.091 -179.866 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.596 0 N-CA-C 109.367 -1.493 . . . . 0.0 109.367 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 82' ' ' LEU . . . . . 0.532 ' CD2' ' N ' ' D' ' 82' ' ' LEU . 0.5 OUTLIER -68.76 -31.47 70.53 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 177.181 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D ' 83' ' ' LEU . . . . . 0.715 ' O ' ' HB3' ' D' ' 87' ' ' ARG . 0.1 OUTLIER -59.68 -54.21 49.06 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 114.519 -1.219 . . . . 0.0 111.198 -179.675 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D ' 84' ' ' ALA . . . . . 0.593 ' H ' ' CD2' ' D' ' 83' ' ' LEU . . . -71.79 -23.29 61.55 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.158 -179.154 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 85' ' ' ALA . . . . . 0.546 ' CB ' ' HB3' ' D' ' 126' ' ' LEU . . . -52.46 -26.42 12.75 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 179.065 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 86' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -126.24 -39.25 2.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.237 178.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 87' ' ' ARG . . . . . 0.715 ' HB3' ' O ' ' D' ' 83' ' ' LEU . 12.9 ttt180 -64.92 -37.74 88.65 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.656 179.56 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 88' ' ' ALA . . . . . 0.706 ' HB3' ' HG3' ' C' ' 39' ' ' ARG . . . -68.54 -45.14 72.97 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.046 -179.615 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 89' ' ' VAL . . . . . 0.474 ' CG1' ' HB3' ' D' ' 117' ' ' PHE . 25.2 t -76.99 -31.84 19.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.694 179.496 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 90' ' ' SER . . . . . 0.418 ' HA ' ' HB2' ' D' ' 93' ' ' LEU . 45.7 t -76.1 -42.28 47.67 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.067 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 91' ' ' GLN . . . . . 0.439 ' CD ' ' HB3' ' C' ' 36' ' ' SER . 7.8 pt20 -64.68 -49.07 72.39 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 179.62 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 92' ' ' VAL . . . . . . . . . . . . . 47.3 t -65.1 -27.87 43.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.265 177.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 93' ' ' LEU . . . . . 0.646 HD22 ' HA ' ' D' ' 114' ' ' HIS . 1.5 mt -60.64 -43.04 98.04 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.202 179.35 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -75.19 -31.73 61.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.529 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 95' ' ' SER . . . . . 0.411 ' O ' HG13 ' D' ' 99' ' ' ILE . 0.8 OUTLIER -79.04 -23.97 43.92 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.41 -179.877 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D ' 96' ' ' LEU . . . . . 0.448 ' O ' ' HB ' ' D' ' 99' ' ' ILE . 0.2 OUTLIER -37.95 -52.61 1.36 Allowed 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 -179.583 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D ' 97' ' ' GLU . . . . . 0.4 ' HA ' HD11 ' D' ' 110' ' ' LEU . 62.7 mt-10 -68.08 -28.96 67.81 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.373 -179.261 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 98' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' D' ' 95' ' ' SER . 0.1 OUTLIER -70.2 -36.2 74.45 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 177.896 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D ' 99' ' ' ILE . . . . . 0.471 HG12 ' CD1' ' C' ' 25' ' ' LEU . 26.5 mt -60.04 -48.54 87.5 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.79 0 CA-C-N 114.505 -1.225 . . . . 0.0 110.011 178.567 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 100' ' ' HIS . . . . . 0.495 ' HB2' ' CD1' ' D' ' 110' ' ' LEU . 1.9 t-160 -57.8 -35.84 71.38 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 178.376 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.52 -43.77 72.18 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.585 -1.189 . . . . 0.0 111.79 179.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 102' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.7 32.55 6.09 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.672 -0.694 . . . . 0.0 112.553 -177.648 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 103' ' ' THR . . . . . 0.437 HG23 ' O ' ' D' ' 99' ' ' ILE . 36.6 p -148.46 -33.2 0.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.894 -0.322 . . . . 0.0 111.803 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 1.5 t0 74.17 25.87 1.73 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.982 0.42 . . . . 0.0 110.531 -179.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 105' ' ' SER . . . . . 0.432 ' HB3' ' CZ ' ' C' ' 21' ' ' TYR . 72.7 m -64.18 -13.22 47.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.292 179.768 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 106' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' D' ' 105' ' ' SER . 4.0 t 81.81 123.02 0.04 OUTLIER 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.988 0.423 . . . . 0.0 111.085 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -54.1 -27.03 30.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.91 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.28 -54.97 36.84 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.968 0.414 . . . . 0.0 110.301 179.556 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 109' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -63.13 -38.76 92.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.732 178.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 110' ' ' LEU . . . . . 0.495 ' CD1' ' HB2' ' D' ' 100' ' ' HIS . 17.8 mt -60.25 -38.14 82.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.32 179.255 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 111' ' ' ASP . . . . . 0.46 ' HA ' ' HD2' ' D' ' 114' ' ' HIS . 61.4 m-20 -64.99 -45.85 83.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.843 -179.675 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 112' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -58.74 -35.26 72.42 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.375 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 113' ' ' LEU . . . . . 0.474 HD23 ' O ' ' C' ' 14' ' ' ALA . 0.5 OUTLIER -78.26 -28.59 47.74 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D ' 114' ' ' HIS . . . . . 0.646 ' HA ' HD22 ' D' ' 93' ' ' LEU . 0.0 OUTLIER -63.76 -35.27 80.04 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 178.282 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D ' 115' ' ' SER . . . . . . . . . . . . . 27.6 t -74.32 -38.77 63.21 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 178.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 116' ' ' VAL . . . . . 0.404 ' O ' ' CD2' ' D' ' 122' ' ' LEU . 44.0 t -63.45 -23.28 32.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.272 -0.876 . . . . 0.0 109.639 178.272 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 117' ' ' PHE . . . . . 0.474 ' HB3' ' CG1' ' D' ' 89' ' ' VAL . 12.1 m-30 -103.25 -19.6 14.42 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.45 -179.597 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 118' ' ' GLN . . . . . 0.405 ' NE2' ' CD1' ' D' ' 93' ' ' LEU . 0.0 OUTLIER -79.74 -26.92 40.61 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.66 0.267 . . . . 0.0 111.402 -179.557 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -43.14 118.11 1.23 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.711 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 120' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -63.9 -49.19 73.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.633 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 121' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -55.77 -33.74 64.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.58 179.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 122' ' ' LEU . . . . . 0.404 ' CD2' ' O ' ' D' ' 116' ' ' VAL . 31.1 tp -55.55 -46.27 77.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.333 179.692 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 123' ' ' HIS . . . . . 0.526 ' HA ' ' CD1' ' D' ' 126' ' ' LEU . 0.0 OUTLIER -54.85 -27.1 39.78 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 178.859 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D ' 124' ' ' THR . . . . . 0.44 ' N ' ' CD2' ' D' ' 123' ' ' HIS . 1.9 m -74.1 -36.13 64.23 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.16 178.561 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 125' ' ' LEU . . . . . . . . . . . . . 5.0 mt -73.15 -33.5 65.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.496 -0.774 . . . . 0.0 109.619 178.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 126' ' ' LEU . . . . . 0.546 ' HB3' ' CB ' ' D' ' 85' ' ' ALA . 3.4 mt -73.39 -47.79 39.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.09 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 127' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -64.73 -47.03 79.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.062 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 128' ' ' LEU . . . . . 0.425 HD23 ' CD2' ' A' ' 59' ' ' TYR . 63.4 mt -65.86 -34.71 78.76 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.021 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 129' ' ' TYR . . . . . 0.485 ' CE1' ' CB ' ' C' ' 46' ' ' SER . 0.2 OUTLIER -62.06 -52.1 65.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.932 0.396 . . . . 0.0 111.06 -179.444 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D ' 130' ' ' ASP . . . . . 0.454 ' CB ' HD21 ' D' ' 82' ' ' LEU . 13.7 m-20 -76.06 -17.58 59.58 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.127 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.9 -51.16 23.57 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.827 0.346 . . . . 0.0 110.668 179.775 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 132' ' ' ILE . . . . . . . . . . . . . 3.1 mt -72.36 -36.93 56.63 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 CA-C-O 121.049 0.452 . . . . 0.0 110.576 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 133' ' ' ASN . . . . . . . . . . . . . 30.5 t30 -60.26 -26.87 66.79 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.772 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 134' ' ' THR . . . . . 0.42 ' O ' ' CB ' ' D' ' 135' ' ' LYS . 86.2 m -87.75 4.82 42.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.287 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 135' ' ' LYS . . . . . 0.42 ' CB ' ' O ' ' D' ' 134' ' ' THR . 3.3 mmtt 81.39 -10.48 1.18 Allowed 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.726 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 136' ' ' SER . . . . . . . . . . . . . 21.4 t . . . . . 0 C--N 1.331 -0.197 0 CA-C-O 120.993 0.425 . . . . 0.0 111.073 179.922 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 10.4 ttm180 . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.581 0.229 . . . . 0.0 110.427 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -65.12 -37.11 86.41 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 121.231 0.538 . . . . 0.0 109.744 179.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -77.98 -27.23 49.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.171 179.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -81.49 -32.25 32.55 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.551 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 66.5 p -74.29 -38.86 63.26 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.189 179.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -71.76 -42.74 66.84 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.535 179.622 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.3 ttt180 -71.79 -23.94 61.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.96 179.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.44 ' O ' HD23 ' B' ' 113' ' ' LEU . . . -78.64 -53.17 7.45 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.736 179.107 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.531 ' CD2' ' HB3' ' A' ' 44' ' ' PHE . 0.6 OUTLIER -63.67 -26.29 68.6 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.888 179.591 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.5 m170 -73.34 -47.97 38.07 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 178.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.452 ' CD2' ' CE1' ' A' ' 21' ' ' TYR . 1.4 mt -60.64 -37.73 82.45 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.595 -0.729 . . . . 0.0 109.449 178.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.443 ' CB ' ' CD1' ' A' ' 41' ' ' ILE . 18.7 mt -59.17 -46.83 87.36 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.069 -0.969 . . . . 0.0 110.684 179.447 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -57.92 -45.22 86.88 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.031 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -71.67 -34.99 70.18 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.139 0.495 . . . . 0.0 110.081 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.644 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 4.9 m-30 -64.61 -47.31 79.07 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.6 179.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.45 ' HG3' ' N ' ' A' ' 23' ' ' SER . 19.4 ptt180 -61.24 -41.94 97.75 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.775 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.45 ' N ' ' HG3' ' A' ' 22' ' ' ARG . 38.9 m -60.12 -35.27 74.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.587 179.601 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.5 ptmt -100.78 0.98 39.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.437 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.644 ' HB2' ' O ' ' A' ' 21' ' ' TYR . 0.4 OUTLIER -90.64 -67.99 0.82 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.83 0.347 . . . . 0.0 111.128 -179.757 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.541 ' HB2' ' HB2' ' A' ' 34' ' ' ARG . 33.8 t -62.98 -151.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.663 -179.535 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 57.51 24.07 9.88 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-O 121.157 0.503 . . . . 0.0 110.002 -179.343 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.46 ' CG2' ' H ' ' A' ' 29' ' ' GLU . 6.6 t -149.52 -55.17 0.18 Allowed 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.814 -179.178 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.46 ' H ' ' CG2' ' A' ' 28' ' ' THR . 13.4 pt-20 -175.56 27.84 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.655 -179.441 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.502 ' HB2' HD22 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -143.2 59.12 1.41 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.91 0.386 . . . . 0.0 110.944 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.7 mmm180 -68.45 -53.04 26.12 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.102 0.477 . . . . 0.0 109.831 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -60.67 -46.1 91.64 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.56 178.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.436 HD21 ' HB3' ' B' ' 95' ' ' SER . 9.1 tp -51.66 -38.77 56.41 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.058 178.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.541 ' HB2' ' HB2' ' A' ' 26' ' ' SER . 5.2 ttp180 -60.56 -45.2 94.81 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.284 178.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.498 ' HA ' ' HG2' ' A' ' 38' ' ' GLU . 13.6 m -55.86 -33.17 64.31 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.006 179.56 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.451 ' O ' ' HG2' ' A' ' 39' ' ' ARG . 0.7 OUTLIER -71.8 -41.82 67.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.163 0.506 . . . . 0.0 110.572 179.752 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.639 ' O ' HG12 ' A' ' 41' ' ' ILE . 9.6 mt -62.15 -46.94 95.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.545 179.24 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.498 ' HG2' ' HA ' ' A' ' 35' ' ' SER . 7.9 pt-20 -63.46 -43.22 98.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.176 -179.16 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.452 ' HG3' ' HB3' ' B' ' 88' ' ' ALA . 6.6 ptp85 -57.8 -40.21 79.37 Favored 'General case' 0 CA--C 1.52 -0.202 0 C-N-CA 120.203 -0.599 . . . . 0.0 109.589 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.428 HG12 ' CD2' ' A' ' 44' ' ' PHE . 39.7 t -63.66 -34.48 68.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 178.1 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.639 HG12 ' O ' ' A' ' 37' ' ' ILE . 27.5 mm -60.83 -63.12 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.355 179.32 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.2 p -54.38 -46.35 73.03 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-O 121.057 0.455 . . . . 0.0 110.484 -179.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.495 HG23 ' CD2' ' B' ' 129' ' ' TYR . 8.0 mt -59.78 -33.81 53.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.883 178.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.531 ' HB3' ' CD2' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -72.13 -59.62 2.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.843 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.424 ' HG2' ' O ' ' A' ' 41' ' ' ILE . 6.6 pt20 -76.25 -2.69 32.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.811 -178.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.411 ' OG ' ' CE1' ' B' ' 129' ' ' TYR . 0.3 OUTLIER -48.47 135.3 14.35 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.868 0.366 . . . . 0.0 111.023 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -53.79 -36.47 62.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.399 -179.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.403 ' HG ' ' HA ' ' B' ' 129' ' ' TYR . 3.3 tp -79.24 -42.8 25.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.231 -179.614 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -50.97 -55.99 14.63 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.661 0.267 . . . . 0.0 111.218 -179.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -57.89 -39.03 76.9 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.875 0.369 . . . . 0.0 110.479 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.63 -40.23 82.76 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.19 179.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.436 ' CD1' ' N ' ' B' ' 129' ' ' TYR . 1.1 mt -64.24 -44.74 90.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.85 178.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 47.5 mt -54.87 -33.44 28.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.247 179.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -71.25 -39.48 71.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.97 179.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.409 ' CG2' ' HB2' ' A' ' 59' ' ' TYR . 91.8 mt -59.45 -47.58 90.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.502 179.442 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.83 -22.99 16.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.376 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -49.71 -39.31 36.54 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.127 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.441 ' HA ' ' HG ' ' C' ' 64' ' ' LEU . 26.9 m-85 -141.99 15.2 2.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.636 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.461 ' CE2' ' CD1' ' C' ' 63' ' ' LEU . 9.2 m-85 -134.35 75.57 1.59 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.598 179.639 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.41 ' HB2' ' HB ' ' C' ' 62' ' ' THR . 60.0 mt-10 -60.03 106.31 0.49 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.751 0.31 . . . . 0.0 110.595 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -72.51 97.12 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.948 0.404 . . . . 0.0 110.971 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.476 ' HB ' ' HB2' ' C' ' 60' ' ' GLU . 8.7 m -79.63 112.06 16.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.582 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.45 ' CD1' ' CE2' ' C' ' 59' ' ' TYR . 0.1 OUTLIER -89.33 126.05 35.37 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.716 179.888 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.524 ' CD2' ' N ' ' A' ' 64' ' ' LEU . 0.1 OUTLIER -104.8 -26.78 12.11 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.502 -179.871 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.475 ' HB2' ' CG ' ' C' ' 58' ' ' PHE . 37.5 t70 -86.06 2.03 48.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.988 179.431 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.333 -0.127 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.397 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.596 0 N-CA-C 111.408 -0.677 . . . . 0.0 111.408 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . 0.619 ' CD2' ' N ' ' B' ' 82' ' ' LEU . 0.3 OUTLIER -80.3 -25.96 39.1 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.982 0.42 . . . . 0.0 110.482 179.547 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . 0.663 ' O ' ' HB3' ' B' ' 87' ' ' ARG . 0.3 OUTLIER -59.81 -46.05 90.43 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.692 -179.619 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . 0.745 ' O ' ' HB1' ' B' ' 88' ' ' ALA . . . -80.14 -5.75 56.53 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.247 -179.446 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 85' ' ' ALA . . . . . 0.47 ' CB ' ' HB2' ' B' ' 126' ' ' LEU . . . -74.5 14.87 0.41 Allowed 'General case' 0 N--CA 1.449 -0.482 0 CA-C-O 121.44 0.638 . . . . 0.0 110.017 178.46 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . 0.532 ' H ' ' C ' ' B' ' 84' ' ' ALA . 8.3 tt0 -167.71 -39.51 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.016 -0.993 . . . . 0.0 108.418 179.634 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 87' ' ' ARG . . . . . 0.663 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 9.3 ttt-85 -67.77 -41.07 83.85 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.658 178.26 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . 0.745 ' HB1' ' O ' ' B' ' 84' ' ' ALA . . . -67.26 -48.59 67.26 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.571 179.712 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 89' ' ' VAL . . . . . 0.462 HG13 ' CG ' ' B' ' 117' ' ' PHE . 16.0 t -66.27 -43.7 91.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.411 179.408 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 90' ' ' SER . . . . . 0.436 ' HA ' ' HB2' ' B' ' 93' ' ' LEU . 67.6 m -72.28 -21.96 61.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.638 179.199 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 91' ' ' GLN . . . . . 0.444 ' HB3' ' HB3' ' A' ' 36' ' ' SER . 3.5 mt-30 -66.34 -57.16 8.06 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-O 121.384 0.611 . . . . 0.0 109.795 179.454 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 92' ' ' VAL . . . . . 0.473 HG23 ' HA ' ' A' ' 37' ' ' ILE . 5.1 t -66.51 -27.82 41.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.169 179.152 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . 0.621 HD21 ' HA ' ' B' ' 114' ' ' HIS . 0.7 OUTLIER -68.21 -30.61 69.72 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.878 179.486 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.9 -42.51 21.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.994 0.426 . . . . 0.0 110.894 -179.646 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 95' ' ' SER . . . . . 0.436 ' HB3' HD21 ' A' ' 33' ' ' LEU . 0.8 OUTLIER -79.75 -13.11 59.68 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.081 -179.557 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . 0.515 ' O ' ' HB ' ' B' ' 99' ' ' ILE . 0.2 OUTLIER -39.21 -50.79 1.96 Allowed 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -179.248 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -68.0 -31.56 71.35 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.936 0.398 . . . . 0.0 111.102 -179.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.38 -37.41 80.37 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 178.072 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 99' ' ' ILE . . . . . 0.55 HG12 ' CD1' ' A' ' 25' ' ' LEU . 27.8 mt -57.84 -49.37 81.24 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.757 0 CA-C-N 114.146 -1.388 . . . . 0.0 110.337 178.811 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . 0.585 ' HB2' ' CD1' ' B' ' 110' ' ' LEU . 11.5 t-160 -56.12 -40.16 73.33 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-O 121.881 0.848 . . . . 0.0 108.766 178.673 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -52.04 -41.37 62.23 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.087 -1.415 . . . . 0.0 111.821 179.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 102' ' ' LEU . . . . . 0.424 HD13 ' CD2' ' A' ' 25' ' ' LEU . 0.4 OUTLIER -123.69 35.9 4.75 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 113.087 0.773 . . . . 0.0 113.087 -177.282 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 103' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' B' ' 99' ' ' ILE . 43.6 p -152.17 -31.77 0.15 Allowed 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 179.405 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 73.4 25.49 2.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.102 0.477 . . . . 0.0 110.175 -179.123 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 105' ' ' SER . . . . . 0.451 ' CB ' ' CZ ' ' A' ' 21' ' ' TYR . 0.1 OUTLIER -60.34 -19.24 54.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.322 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 106' ' ' SER . . . . . 0.419 ' HA ' ' CE1' ' B' ' 100' ' ' HIS . 4.5 t 78.06 129.84 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.915 0.388 . . . . 0.0 110.641 -179.555 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . 0.414 ' HA ' HD13 ' B' ' 110' ' ' LEU . 1.0 OUTLIER -56.84 -21.55 29.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.142 -179.703 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -61.89 -55.4 30.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.092 0.472 . . . . 0.0 110.21 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -63.8 -35.25 79.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.994 179.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 110' ' ' LEU . . . . . 0.585 ' CD1' ' HB2' ' B' ' 100' ' ' HIS . 42.2 mt -65.53 -41.61 92.92 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.414 179.247 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -59.95 -43.39 95.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.575 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -60.51 -47.25 86.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.409 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 113' ' ' LEU . . . . . 0.44 HD23 ' O ' ' A' ' 14' ' ' ALA . 0.5 OUTLIER -71.11 -29.91 65.85 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.177 179.368 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 114' ' ' HIS . . . . . 0.654 ' O ' ' HG2' ' B' ' 118' ' ' GLN . 70.7 t60 -58.49 -45.29 89.0 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 178.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 115' ' ' SER . . . . . 0.502 ' HA ' ' HG2' ' B' ' 118' ' ' GLN . 45.0 m -74.2 -35.0 63.91 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.746 178.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 116' ' ' VAL . . . . . 0.468 HG13 ' CE1' ' B' ' 117' ' ' PHE . 53.4 t -56.79 -24.98 20.84 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.328 178.234 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 117' ' ' PHE . . . . . 0.468 ' CE1' HG13 ' B' ' 116' ' ' VAL . 11.2 m-30 -106.07 -13.82 15.35 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.91 179.681 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 118' ' ' GLN . . . . . 0.654 ' HG2' ' O ' ' B' ' 114' ' ' HIS . 3.7 mm-40 -67.59 -44.37 78.31 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.969 0.414 . . . . 0.0 110.666 179.234 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -38.93 131.78 1.34 Allowed 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.345 -178.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -76.26 -44.12 38.71 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.357 179.45 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 15.7 m-70 -56.04 -33.74 65.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.136 179.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . 0.405 ' O ' HD11 ' B' ' 126' ' ' LEU . 47.1 tp -55.66 -43.92 76.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.73 179.254 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 123' ' ' HIS . . . . . 0.698 ' HA ' ' CD1' ' B' ' 126' ' ' LEU . 31.8 m170 -56.45 -27.56 57.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.997 178.629 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 124' ' ' THR . . . . . 0.405 HG21 ' CD1' ' B' ' 128' ' ' LEU . 6.5 m -77.38 -31.42 54.25 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.299 179.449 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 18.7 mt -67.82 -40.88 83.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.912 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . 0.698 ' CD1' ' HA ' ' B' ' 123' ' ' HIS . 0.3 OUTLIER -72.93 -44.35 61.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.139 -179.768 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -59.47 -50.12 75.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.109 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . 0.423 HD21 ' CD2' ' C' ' 59' ' ' TYR . 31.9 mt -64.13 -42.69 96.74 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.118 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 129' ' ' TYR . . . . . 0.495 ' CD2' HG23 ' A' ' 43' ' ' ILE . 0.4 OUTLIER -55.88 -51.04 68.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.301 -179.312 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 130' ' ' ASP . . . . . 0.433 ' CB ' HD23 ' B' ' 82' ' ' LEU . 11.9 m-20 -75.14 -19.42 59.89 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.295 -179.597 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.73 -51.27 19.9 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.82 0.343 . . . . 0.0 110.615 179.719 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 132' ' ' ILE . . . . . 0.402 ' HB ' ' CD2' ' A' ' 48' ' ' LEU . 2.4 mt -70.54 -35.48 61.78 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 CA-C-O 121.18 0.514 . . . . 0.0 110.357 179.547 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 133' ' ' ASN . . . . . . . . . . . . . 44.7 t-20 -61.49 -24.96 66.95 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.459 -0.792 . . . . 0.0 111.105 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 134' ' ' THR . . . . . 0.451 ' O ' ' CB ' ' B' ' 135' ' ' LYS . 0.5 OUTLIER -81.27 3.91 22.32 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.207 -179.927 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 135' ' ' LYS . . . . . 0.451 ' CB ' ' O ' ' B' ' 134' ' ' THR . 5.8 mttp 86.69 -20.22 0.24 Allowed 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 122.622 0.369 . . . . 0.0 111.693 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.268 0 CA-C-O 120.788 0.328 . . . . 0.0 110.892 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.234 0 CA-C-O 120.776 0.322 . . . . 0.0 110.286 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -62.33 -35.86 80.39 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-O 121.133 0.492 . . . . 0.0 109.85 179.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 57.3 mm-40 -76.76 -27.34 55.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.095 179.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -79.74 -33.19 40.99 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.516 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 3.1 p -74.05 -40.22 62.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.448 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -71.71 -37.82 70.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.307 179.564 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.61 -25.65 59.38 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.052 179.09 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 14' ' ' ALA . . . . . 0.426 ' O ' HD21 ' D' ' 113' ' ' LEU . . . -78.69 -50.21 11.81 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.755 179.069 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 15' ' ' LEU . . . . . 0.517 ' CD2' ' HB3' ' C' ' 44' ' ' PHE . 0.4 OUTLIER -64.81 -28.29 69.47 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.782 179.617 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 16' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -73.16 -45.76 54.71 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 178.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . 0.435 HD21 ' CE1' ' C' ' 21' ' ' TYR . 1.6 mt -62.24 -36.1 80.96 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.193 178.343 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . 0.432 ' HB3' ' CG2' ' C' ' 37' ' ' ILE . 26.9 mt -62.29 -43.76 98.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.755 -1.111 . . . . 0.0 110.833 179.625 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -63.05 -38.57 91.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.811 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -74.1 -35.81 64.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.256 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 21' ' ' TYR . . . . . 0.612 ' O ' ' HB2' ' C' ' 25' ' ' LEU . 14.2 m-30 -69.51 -46.32 66.82 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.02 179.501 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 22' ' ' ARG . . . . . 0.442 ' CG ' ' HG2' ' C' ' 34' ' ' ARG . 1.1 ttt-85 -55.07 -51.05 67.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.825 179.676 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 38.0 m -56.37 -43.67 79.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.776 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 24' ' ' LYS . . . . . . . . . . . . . 8.6 ptmt -89.49 3.87 50.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.548 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 25' ' ' LEU . . . . . 0.612 ' HB2' ' O ' ' C' ' 21' ' ' TYR . 0.3 OUTLIER -92.35 -68.75 0.78 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.864 0.364 . . . . 0.0 111.301 -179.755 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 26' ' ' SER . . . . . 0.504 ' HB2' ' HB2' ' C' ' 34' ' ' ARG . 30.1 t -62.42 -150.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.907 -179.232 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 27' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 57.51 24.23 10.08 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 121.104 0.478 . . . . 0.0 109.991 -179.276 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 28' ' ' THR . . . . . 0.463 ' CG2' ' H ' ' C' ' 29' ' ' GLU . 6.5 t -149.73 -56.19 0.18 Allowed 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.892 -179.343 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 29' ' ' GLU . . . . . 0.463 ' H ' ' CG2' ' C' ' 28' ' ' THR . 13.1 pt-20 -176.67 28.47 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.629 -179.524 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 30' ' ' ASP . . . . . 0.442 ' CB ' HD21 ' C' ' 25' ' ' LEU . 4.9 m-20 -141.53 54.14 1.52 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.029 0.443 . . . . 0.0 111.089 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.51 -52.96 48.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.082 179.56 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 -56.89 -53.03 62.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.848 179.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 33' ' ' LEU . . . . . 0.429 HD12 ' CB ' ' D' ' 95' ' ' SER . 10.0 tp -51.03 -33.53 25.69 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.882 178.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 34' ' ' ARG . . . . . 0.504 ' HB2' ' HB2' ' C' ' 26' ' ' SER . 9.1 ttp180 -60.54 -45.98 91.87 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.524 178.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 1.8 m -59.58 -33.05 70.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.42 179.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 36' ' ' SER . . . . . 0.506 ' CB ' ' NE2' ' D' ' 91' ' ' GLN . 58.8 m -65.78 -51.29 60.25 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.965 0.412 . . . . 0.0 110.799 179.765 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 37' ' ' ILE . . . . . 0.623 ' O ' HG12 ' C' ' 41' ' ' ILE . 33.3 mt -57.83 -41.18 79.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.291 0.567 . . . . 0.0 109.892 179.184 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.37 -52.14 66.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 114.943 -1.026 . . . . 0.0 111.962 -179.689 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 39' ' ' ARG . . . . . 0.587 ' HG3' ' HB1' ' D' ' 88' ' ' ALA . 4.7 ptp180 -55.91 -42.08 75.49 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.403 -179.566 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . 0.436 HG11 ' CD2' ' C' ' 44' ' ' PHE . 78.7 t -60.81 -33.13 54.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 178.474 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 41' ' ' ILE . . . . . 0.623 HG12 ' O ' ' C' ' 37' ' ' ILE . 13.2 mm -61.98 -60.62 2.42 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.142 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 179.411 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 19.7 p -58.0 -45.88 86.12 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.642 -179.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 43' ' ' ILE . . . . . 0.439 HD11 HG23 ' C' ' 43' ' ' ILE . 12.7 mt -59.62 -33.81 53.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.866 179.244 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 44' ' ' PHE . . . . . 0.517 ' HB3' ' CD2' ' C' ' 15' ' ' LEU . 0.2 OUTLIER -72.54 -59.13 2.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.581 179.686 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 45' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -73.64 -6.58 47.63 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.103 -178.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 46' ' ' SER . . . . . 0.49 ' CB ' ' CE1' ' D' ' 129' ' ' TYR . 0.2 OUTLIER -48.81 135.63 14.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.771 0.32 . . . . 0.0 111.034 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -56.43 -29.47 61.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.299 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . 0.476 ' CD2' ' O ' ' D' ' 129' ' ' TYR . 3.5 tp -79.4 -40.72 29.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.934 0.397 . . . . 0.0 110.754 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 49' ' ' PHE . . . . . 0.602 ' O ' HD22 ' C' ' 52' ' ' LEU . 7.2 t80 -53.48 -31.77 47.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.213 0.53 . . . . 0.0 110.5 179.467 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -74.55 -25.64 59.44 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 178.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.58 -53.85 29.95 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 115.35 -0.841 . . . . 0.0 112.298 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 52' ' ' LEU . . . . . 0.602 HD22 ' O ' ' C' ' 49' ' ' PHE . 0.0 OUTLIER -72.72 -32.79 65.99 Favored 'General case' 0 N--CA 1.462 0.162 0 C-N-CA 119.593 -0.843 . . . . 0.0 111.103 -179.702 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 53' ' ' ILE . . . . . 0.497 HG13 ' O ' ' C' ' 49' ' ' PHE . 56.3 mt -60.71 -37.18 75.21 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.249 178.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -73.03 -42.2 63.4 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.669 179.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 55' ' ' ILE . . . . . 0.433 ' CG2' ' HB2' ' C' ' 59' ' ' TYR . 60.5 mt -57.68 -33.98 46.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.768 179.718 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 56' ' ' GLN . . . . . 0.411 ' HG3' ' CD2' ' D' ' 125' ' ' LEU . 3.3 mt-30 -53.37 -21.85 6.49 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.723 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 57' ' ' GLU . . . . . 0.407 ' O ' ' CD2' ' C' ' 58' ' ' PHE . 45.5 mt-10 -43.89 -38.01 3.15 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.736 0.303 . . . . 0.0 111.517 -179.69 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 58' ' ' PHE . . . . . 0.475 ' CG ' ' HB2' ' A' ' 65' ' ' ASP . 81.5 m-85 -158.12 35.61 0.25 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.428 -179.792 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 59' ' ' TYR . . . . . 0.45 ' CE2' ' CD1' ' A' ' 63' ' ' LEU . 23.1 m-85 -137.4 80.18 1.79 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.754 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 60' ' ' GLU . . . . . 0.476 ' HB2' ' HB ' ' A' ' 62' ' ' THR . 37.5 mt-10 -72.33 99.34 2.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.813 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 61' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -72.86 96.78 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 CA-C-O 120.906 0.384 . . . . 0.0 110.922 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 62' ' ' THR . . . . . 0.41 ' HB ' ' HB2' ' A' ' 60' ' ' GLU . 2.7 m -73.63 118.38 16.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.498 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 63' ' ' LEU . . . . . 0.461 ' CD1' ' CE2' ' A' ' 59' ' ' TYR . 0.1 OUTLIER -89.49 124.62 34.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.0 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 64' ' ' LEU . . . . . 0.503 ' CD2' ' N ' ' C' ' 64' ' ' LEU . 0.0 OUTLIER -102.76 -27.2 12.84 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.382 179.639 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 65' ' ' ASP . . . . . 0.439 ' HB2' ' CD1' ' A' ' 58' ' ' PHE . 1.4 m-20 -158.2 -87.74 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.896 179.697 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 66' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 . . . . . 0 N--CA 1.463 0.188 0 CA-C-O 120.793 0.33 . . . . 0.0 111.046 179.993 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.414 0 N-CA-C 110.491 -1.043 . . . . 0.0 110.491 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 82' ' ' LEU . . . . . 0.462 ' HB3' ' CB ' ' D' ' 130' ' ' ASP . 3.1 pp -88.59 -8.81 54.07 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 177.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 83' ' ' LEU . . . . . 0.711 ' O ' ' HB3' ' D' ' 87' ' ' ARG . 0.6 OUTLIER -62.21 -44.24 97.01 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.821 179.046 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' D' D ' 84' ' ' ALA . . . . . 0.576 ' H ' ' CD2' ' D' ' 83' ' ' LEU . . . -71.6 -26.02 62.41 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 114.799 -1.091 . . . . 0.0 110.579 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 85' ' ' ALA . . . . . 0.475 ' CB ' ' CB ' ' D' ' 126' ' ' LEU . . . -52.46 -26.55 13.16 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.175 179.607 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 86' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -123.18 -44.18 2.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.648 178.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 87' ' ' ARG . . . . . 0.711 ' HB3' ' O ' ' D' ' 83' ' ' LEU . 27.4 ttt85 -57.91 -54.76 43.23 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.98 178.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 88' ' ' ALA . . . . . 0.635 ' HA ' ' NE2' ' D' ' 91' ' ' GLN . . . -56.95 -44.29 82.4 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.976 -1.011 . . . . 0.0 111.18 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 89' ' ' VAL . . . . . 0.504 HG12 ' CD1' ' D' ' 117' ' ' PHE . 53.1 t -61.49 -32.18 52.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.716 179.738 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 31.0 t -76.21 -28.35 57.18 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.469 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 91' ' ' GLN . . . . . 0.648 ' HG3' ' O ' ' D' ' 87' ' ' ARG . 3.6 mt-30 -71.39 -51.42 24.17 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-O 121.16 0.505 . . . . 0.0 109.805 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 92' ' ' VAL . . . . . 0.427 ' CG1' ' CD2' ' C' ' 18' ' ' LEU . 3.8 t -67.75 -28.13 40.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.103 179.317 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 93' ' ' LEU . . . . . 0.607 HD22 ' HA ' ' D' ' 114' ' ' HIS . 2.1 mt -66.81 -41.18 87.95 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.187 179.665 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.85 -30.82 28.38 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.977 0.418 . . . . 0.0 110.918 -179.633 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 95' ' ' SER . . . . . 0.429 ' CB ' HD12 ' C' ' 33' ' ' LEU . 15.4 m -80.27 -25.54 39.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.966 -0.561 . . . . 0.0 112.087 -179.361 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 96' ' ' LEU . . . . . 0.484 ' O ' ' HB ' ' D' ' 99' ' ' ILE . 0.2 OUTLIER -38.06 -52.2 1.4 Allowed 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -179.002 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 63.0 mt-10 -69.36 -29.07 66.79 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.912 0.387 . . . . 0.0 111.05 -179.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 98' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' D' ' 95' ' ' SER . 0.1 OUTLIER -69.35 -34.58 74.81 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 177.769 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' D' D ' 99' ' ' ILE . . . . . 0.484 ' HB ' ' O ' ' D' ' 96' ' ' LEU . 38.1 mt -62.34 -50.04 81.51 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.829 0 CA-C-N 114.426 -1.261 . . . . 0.0 110.012 178.555 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 100' ' ' HIS . . . . . 0.499 ' HB2' ' CD1' ' D' ' 110' ' ' LEU . 1.9 t-160 -55.84 -33.66 64.72 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 178.218 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 101' ' ' ALA . . . . . . . . . . . . . . . -57.57 -45.69 84.88 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 114.39 -1.277 . . . . 0.0 111.97 179.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 102' ' ' LEU . . . . . 0.418 ' CD1' HD23 ' C' ' 25' ' ' LEU . 0.4 OUTLIER -117.53 26.5 9.68 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.793 -177.532 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' D' D ' 103' ' ' THR . . . . . 0.47 HG21 ' O ' ' D' ' 99' ' ' ILE . 31.4 p -141.1 -31.77 0.58 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.714 0.292 . . . . 0.0 111.512 179.626 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 4.5 t0 67.9 27.46 7.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.908 0.385 . . . . 0.0 110.536 -179.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 105' ' ' SER . . . . . 0.423 ' HB3' ' CE1' ' C' ' 21' ' ' TYR . 11.1 m -53.73 -77.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.79 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 106' ' ' SER . . . . . . . . . . . . . 6.5 t 167.95 104.86 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.417 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -47.38 -31.97 4.5 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.885 0.374 . . . . 0.0 110.601 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 7.7 mmmt -67.26 -47.19 71.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.692 178.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 109' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -63.59 -34.72 78.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.791 179.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 110' ' ' LEU . . . . . 0.499 ' CD1' ' HB2' ' D' ' 100' ' ' HIS . 22.2 mt -62.61 -42.99 99.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.073 179.108 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 111' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -61.3 -41.97 97.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.531 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 112' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -58.61 -44.25 89.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.165 179.683 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 113' ' ' LEU . . . . . 0.429 ' O ' ' CD2' ' D' ' 117' ' ' PHE . 0.5 OUTLIER -70.22 -34.05 72.42 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.651 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' D' D ' 114' ' ' HIS . . . . . 0.607 ' HA ' HD22 ' D' ' 93' ' ' LEU . 37.4 m170 -58.18 -35.03 70.99 Favored 'General case' 0 CA--C 1.517 -0.293 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 178.267 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 115' ' ' SER . . . . . 0.425 ' HA ' ' HB2' ' D' ' 118' ' ' GLN . 1.3 t -73.94 -38.15 64.35 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 108.887 -0.782 . . . . 0.0 108.887 178.579 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 116' ' ' VAL . . . . . 0.426 ' O ' ' CD2' ' D' ' 122' ' ' LEU . 54.9 t -59.16 -23.58 25.04 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.147 178.555 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 117' ' ' PHE . . . . . 0.504 ' CD1' HG12 ' D' ' 89' ' ' VAL . 44.3 m-85 -105.62 -30.96 9.16 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.436 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 118' ' ' GLN . . . . . 0.425 ' HB2' ' HA ' ' D' ' 115' ' ' SER . 0.0 OUTLIER -60.98 -33.71 73.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.457 -179.207 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -45.44 118.8 1.87 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.488 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 120' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -63.32 -46.49 86.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.863 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 121' ' ' HIS . . . . . . . . . . . . . 48.9 m-70 -55.95 -34.33 65.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.588 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 122' ' ' LEU . . . . . 0.426 ' CD2' ' O ' ' D' ' 116' ' ' VAL . 28.4 tp -56.29 -47.61 78.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.063 179.481 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 123' ' ' HIS . . . . . 0.646 ' HA ' ' CD1' ' D' ' 126' ' ' LEU . 12.2 m-70 -52.44 -25.81 11.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.843 179.082 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 124' ' ' THR . . . . . 0.402 HG22 ' CD1' ' C' ' 63' ' ' LEU . 3.2 m -78.47 -34.36 47.69 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.511 178.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 125' ' ' LEU . . . . . 0.424 HD13 HG12 ' C' ' 53' ' ' ILE . 33.8 mt -66.5 -45.18 80.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.287 -0.87 . . . . 0.0 111.213 179.706 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 126' ' ' LEU . . . . . 0.646 ' CD1' ' HA ' ' D' ' 123' ' ' HIS . 0.1 OUTLIER -73.14 -37.1 66.74 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.821 -179.674 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' D' D ' 127' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.07 -52.4 65.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.952 0.406 . . . . 0.0 110.873 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 128' ' ' LEU . . . . . 0.42 HD23 ' CD2' ' A' ' 59' ' ' TYR . 3.2 mt -73.09 -33.15 65.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.8 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 129' ' ' TYR . . . . . 0.49 ' CE1' ' CB ' ' C' ' 46' ' ' SER . 0.6 OUTLIER -55.69 -51.9 65.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.154 -179.497 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' D' D ' 130' ' ' ASP . . . . . 0.462 ' CB ' ' HB3' ' D' ' 82' ' ' LEU . 3.4 m-20 -75.75 -35.4 60.18 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.035 -179.748 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.77 -46.57 74.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.064 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 132' ' ' ILE . . . . . . . . . . . . . 3.1 mt -76.22 -40.06 35.86 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 CA-C-O 120.988 0.423 . . . . 0.0 110.586 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 133' ' ' ASN . . . . . . . . . . . . . 26.7 t30 -62.51 -25.94 68.28 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.023 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 134' ' ' THR . . . . . 0.47 ' O ' ' HB3' ' D' ' 135' ' ' LYS . 23.9 m -78.3 -54.79 5.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.577 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 135' ' ' LYS . . . . . 0.47 ' HB3' ' O ' ' D' ' 134' ' ' THR . 0.0 OUTLIER 169.93 -27.83 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.83 179.44 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' D' D ' 136' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.239 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.292 -179.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.2 mtm-85 . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.277 0.084 . . . . 0.0 111.082 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.45 ' HA ' ' OG1' ' A' ' 11' ' ' THR . 0.0 OUTLIER -76.51 -25.8 54.58 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 179.103 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.402 ' NE2' ' HD2' ' A' ' 8' ' ' LYS . 1.2 mm-40 -80.31 -34.57 36.67 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 177.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -76.59 -30.05 56.82 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.152 179.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.45 ' OG1' ' HA ' ' A' ' 8' ' ' LYS . 20.7 p -72.89 -44.21 61.56 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.648 179.537 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -68.12 -36.59 79.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.316 179.603 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -73.91 -25.28 59.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.041 179.045 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.439 ' O ' HD23 ' B' ' 113' ' ' LEU . . . -78.24 -54.81 5.82 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.556 178.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.517 ' CD2' ' HB3' ' A' ' 44' ' ' PHE . 0.4 OUTLIER -60.49 -26.34 66.75 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.594 179.198 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -73.19 -46.27 51.54 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 178.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.441 HD21 ' CE1' ' A' ' 21' ' ' TYR . 5.5 mt -62.44 -34.97 77.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.377 178.685 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.422 ' CB ' ' CD1' ' A' ' 41' ' ' ILE . 44.8 mt -64.2 -41.37 97.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.572 179.518 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.26 -44.98 96.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.72 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -73.2 -33.61 65.49 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.995 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.578 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 9.4 m-30 -65.99 -47.01 75.94 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.763 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.0 ptt180 -62.99 -42.52 99.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.912 0.387 . . . . 0.0 110.534 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.1 m -59.71 -35.37 74.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.01 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.6 ptmt -95.42 -18.58 20.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.494 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.578 ' HB2' ' O ' ' A' ' 21' ' ' TYR . 0.3 OUTLIER -70.42 -65.76 0.69 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.026 0.441 . . . . 0.0 111.047 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.487 ' HB3' ' HB2' ' A' ' 34' ' ' ARG . 1.5 p -58.99 -159.97 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.133 -179.627 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 59.72 29.19 18.75 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.608 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.501 ' CG2' ' H ' ' A' ' 29' ' ' GLU . 5.0 t -152.77 -59.25 0.14 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.181 -179.658 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.501 ' H ' ' CG2' ' A' ' 28' ' ' THR . 14.7 pt-20 -175.37 28.16 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.644 -179.347 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.42 ' CB ' HD21 ' A' ' 25' ' ' LEU . 4.9 m-20 -146.01 48.06 1.23 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.985 0.422 . . . . 0.0 111.113 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.3 mmt180 -58.38 -50.44 73.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.183 0.516 . . . . 0.0 110.149 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -57.52 -47.22 82.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.067 179.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.481 HD13 ' CB ' ' B' ' 95' ' ' SER . 7.0 tp -55.32 -29.72 58.82 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.031 179.273 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.487 ' HB2' ' HB3' ' A' ' 26' ' ' SER . 5.8 ttp180 -66.4 -42.71 87.44 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 178.384 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.487 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 1.3 m -62.13 -27.84 69.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.945 -1.025 . . . . 0.0 111.069 179.51 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.566 ' HB3' ' NE2' ' B' ' 91' ' ' GLN . 0.2 OUTLIER -75.96 -44.7 38.59 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.282 0.563 . . . . 0.0 110.28 179.526 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.539 ' O ' HG12 ' A' ' 41' ' ' ILE . 4.1 mt -64.13 -41.3 92.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.379 179.143 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.506 ' HA ' HG12 ' A' ' 41' ' ' ILE . 8.1 pt-20 -64.6 -43.73 92.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.013 -179.15 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.48 ' HG2' ' O ' ' A' ' 36' ' ' SER . 6.0 ptp180 -59.69 -38.77 82.44 Favored 'General case' 0 CA--C 1.52 -0.21 0 C-N-CA 120.198 -0.601 . . . . 0.0 109.615 179.677 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.45 ' CG1' ' CD1' ' A' ' 44' ' ' PHE . 95.0 t -60.91 -40.71 86.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 178.012 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.539 HG12 ' O ' ' A' ' 37' ' ' ILE . 12.8 mm -53.97 -57.71 5.1 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.722 179.766 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.6 p -58.38 -47.7 83.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.953 0.406 . . . . 0.0 110.867 -179.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.414 ' CG2' ' CE2' ' B' ' 129' ' ' TYR . 11.0 mt -59.92 -34.78 57.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.053 179.279 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.517 ' HB3' ' CD2' ' A' ' 15' ' ' LEU . 1.3 m-85 -72.29 -56.23 5.85 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.943 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -78.64 -2.64 40.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.64 -179.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.479 ' CB ' ' CE1' ' B' ' 129' ' ' TYR . 0.2 OUTLIER -48.2 134.2 14.66 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.904 0.383 . . . . 0.0 110.884 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -52.15 -33.96 42.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.392 -179.54 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.458 ' CD2' ' O ' ' B' ' 129' ' ' TYR . 1.2 tp -79.77 -44.69 20.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.44 -179.766 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.439 ' CD1' ' O ' ' A' ' 44' ' ' PHE . 37.4 t80 -50.24 -52.94 31.9 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 121.011 -0.276 . . . . 0.0 110.866 -179.202 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 -60.27 -36.38 77.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.894 0.378 . . . . 0.0 110.044 179.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.63 -43.06 89.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.157 179.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.9 -43.7 98.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.723 178.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.44 ' CG2' ' HB3' ' A' ' 8' ' ' LYS . 35.0 mt -54.22 -36.91 34.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.269 179.112 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.03 -31.86 64.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.518 179.467 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.466 HG22 HD12 ' A' ' 55' ' ' ILE . 68.5 mt -68.97 -46.42 78.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.919 179.728 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -52.93 -21.75 4.73 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.581 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -46.09 -35.72 5.19 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.136 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.43 ' CG ' ' HB2' ' C' ' 65' ' ' ASP . 12.9 m-85 -152.37 21.44 0.64 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.66 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.462 ' CZ ' ' CD1' ' C' ' 63' ' ' LEU . 34.9 m-85 -127.21 64.42 1.32 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.6 179.502 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -50.74 94.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.414 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -76.93 107.44 8.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.966 179.694 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.401 HG21 ' CG ' ' C' ' 60' ' ' GLU . 0.4 OUTLIER -95.77 130.26 42.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.716 -179.854 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.425 HD11 ' CE2' ' C' ' 59' ' ' TYR . 0.1 OUTLIER -91.54 133.03 35.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.594 179.724 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.474 ' HG ' ' HA ' ' C' ' 58' ' ' PHE . 0.1 OUTLIER -109.98 -27.72 9.08 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.953 -179.762 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.427 ' HB2' ' CG ' ' C' ' 58' ' ' PHE . 2.0 t0 -64.58 -37.75 88.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.412 179.708 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.465 0.311 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.797 179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.404 0 N-CA-C 108.592 -1.803 . . . . 0.0 108.592 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . 0.422 ' HA ' ' CB ' ' B' ' 130' ' ' ASP . 0.3 OUTLIER -72.44 -34.65 67.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 114.0 -1.1 . . . . 0.0 108.595 176.913 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . 0.617 ' O ' ' HB3' ' B' ' 87' ' ' ARG . 0.5 OUTLIER -87.23 -41.34 13.78 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 114.308 -1.315 . . . . 0.0 110.96 -179.622 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . 0.608 ' CB ' ' HB2' ' B' ' 88' ' ' ALA . . . -76.48 -20.93 56.48 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.208 -0.905 . . . . 0.0 112.205 -178.085 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 85' ' ' ALA . . . . . 0.483 ' CB ' ' HB3' ' B' ' 126' ' ' LEU . . . -52.69 -24.91 9.51 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.227 0.537 . . . . 0.0 110.059 179.387 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -125.05 -44.64 1.9 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.636 178.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 87' ' ' ARG . . . . . 0.617 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 12.1 ttt85 -57.8 -49.65 75.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.36 179.077 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . 0.608 ' HB2' ' CB ' ' B' ' 84' ' ' ALA . . . -57.75 -44.73 86.29 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.575 -179.121 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 89' ' ' VAL . . . . . 0.456 HG11 ' CD1' ' B' ' 117' ' ' PHE . 34.6 t -63.58 -30.32 49.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.56 179.613 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 13.0 t -75.46 -28.18 59.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.128 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 91' ' ' GLN . . . . . 0.571 ' HG3' ' O ' ' B' ' 87' ' ' ARG . 2.3 mt-30 -69.54 -53.28 19.76 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 179.475 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 92' ' ' VAL . . . . . 0.434 HG22 ' HA ' ' A' ' 37' ' ' ILE . 3.2 t -65.63 -28.1 43.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.791 178.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . 0.613 HD22 ' HA ' ' B' ' 114' ' ' HIS . 2.7 mt -66.24 -38.43 87.87 Favored 'General case' 0 C--O 1.23 0.068 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.455 179.666 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -80.2 -38.62 30.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.988 0.423 . . . . 0.0 110.797 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 95' ' ' SER . . . . . 0.481 ' CB ' HD13 ' A' ' 33' ' ' LEU . 2.2 p -79.58 -21.4 45.07 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.573 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . 0.425 ' O ' ' HB ' ' B' ' 99' ' ' ILE . 0.2 OUTLIER -34.83 -52.95 0.55 Allowed 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -179.162 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -70.18 -29.35 66.21 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.285 -179.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' B' ' 95' ' ' SER . 0.4 OUTLIER -70.12 -34.1 72.67 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 177.874 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 99' ' ' ILE . . . . . 0.458 ' O ' ' OG1' ' B' ' 103' ' ' THR . 19.3 mt -62.55 -49.17 84.9 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.869 0 CA-C-N 114.513 -1.221 . . . . 0.0 109.817 178.624 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . 0.474 ' HB2' ' CD1' ' B' ' 110' ' ' LEU . 2.0 t-160 -57.01 -34.85 68.58 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 178.187 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.29 -46.1 72.68 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 114.562 -1.199 . . . . 0.0 111.557 179.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 102' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -116.94 33.38 5.64 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.443 -0.798 . . . . 0.0 112.465 -177.766 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 103' ' ' THR . . . . . 0.458 ' OG1' ' O ' ' B' ' 99' ' ' ILE . 43.5 p -147.85 -32.86 0.26 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 111.675 0.25 . . . . 0.0 111.675 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 1.6 t0 74.77 25.6 1.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.038 0.447 . . . . 0.0 110.545 -179.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 105' ' ' SER . . . . . 0.451 ' HB3' ' CZ ' ' A' ' 21' ' ' TYR . 3.7 m -65.12 -12.1 47.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.459 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 106' ' ' SER . . . . . 0.411 ' CB ' ' O ' ' B' ' 105' ' ' SER . 1.6 p 80.62 123.34 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.886 0.374 . . . . 0.0 110.965 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -55.73 -31.02 62.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.939 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 19.0 mmtt -54.41 -53.51 53.07 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.093 0.473 . . . . 0.0 110.316 179.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -62.05 -40.17 94.84 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.859 179.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 110' ' ' LEU . . . . . 0.474 ' CD1' ' HB2' ' B' ' 100' ' ' HIS . 28.5 mt -59.71 -39.81 85.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.351 179.221 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 111' ' ' ASP . . . . . 0.421 ' O ' ' CD2' ' B' ' 114' ' ' HIS . 82.8 m-20 -62.5 -44.91 95.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.773 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -58.29 -38.79 77.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.424 179.758 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 113' ' ' LEU . . . . . 0.439 HD23 ' O ' ' A' ' 14' ' ' ALA . 0.5 OUTLIER -74.94 -28.16 60.48 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.005 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 114' ' ' HIS . . . . . 0.613 ' HA ' HD22 ' B' ' 93' ' ' LEU . 0.0 OUTLIER -64.13 -35.77 81.84 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 178.666 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 2.8 m -76.23 -37.66 57.42 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 178.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 116' ' ' VAL . . . . . 0.419 ' CG1' ' CB ' ' A' ' 14' ' ' ALA . 41.0 t -62.43 -24.7 35.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.915 178.463 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 117' ' ' PHE . . . . . 0.456 ' CD1' HG11 ' B' ' 89' ' ' VAL . 20.7 m-85 -98.95 -34.28 10.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.74 -0.663 . . . . 0.0 111.144 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 118' ' ' GLN . . . . . 0.406 ' NE2' ' CD1' ' B' ' 93' ' ' LEU . 0.0 OUTLIER -63.63 -28.51 69.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.227 -179.479 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -44.91 114.14 0.67 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.558 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -60.72 -43.88 97.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.748 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 121' ' ' HIS . . . . . 0.408 ' O ' ' HG ' ' B' ' 125' ' ' LEU . 8.7 m170 -57.11 -34.63 68.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.636 179.766 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 38.5 tp -56.16 -49.06 75.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.507 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 123' ' ' HIS . . . . . 0.507 ' HA ' ' CD1' ' B' ' 126' ' ' LEU . 16.6 m170 -54.34 -26.36 29.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.074 179.071 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 1.4 m -74.26 -37.19 63.81 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 178.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' B' ' 121' ' ' HIS . 4.0 mt -71.89 -33.85 68.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.479 178.584 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . 0.507 ' CD1' ' HA ' ' B' ' 123' ' ' HIS . 4.3 mt -73.13 -50.1 24.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.965 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -59.69 -53.37 58.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.105 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . 0.425 HD21 ' CE2' ' C' ' 59' ' ' TYR . 17.6 mt -62.53 -34.93 77.9 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.549 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 129' ' ' TYR . . . . . 0.479 ' CE1' ' CB ' ' A' ' 46' ' ' SER . 0.9 OUTLIER -56.05 -50.45 70.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.964 -179.838 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 130' ' ' ASP . . . . . 0.435 ' OD1' ' CD2' ' B' ' 129' ' ' TYR . 0.0 OUTLIER -75.42 -34.33 61.02 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.028 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.94 -49.68 70.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.231 -179.673 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 132' ' ' ILE . . . . . 0.426 ' HB ' ' CD2' ' A' ' 48' ' ' LEU . 2.7 mt -75.02 -39.39 44.17 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.433 0 CA-C-O 120.798 0.333 . . . . 0.0 110.879 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 133' ' ' ASN . . . . . 0.419 ' HB2' ' O ' ' B' ' 129' ' ' TYR . 0.2 OUTLIER -60.68 -25.61 66.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.966 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 134' ' ' THR . . . . . 0.413 ' CG2' ' O ' ' B' ' 134' ' ' THR . 58.6 m -95.12 33.22 1.56 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.078 0.466 . . . . 0.0 111.159 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 2.5 mttm -142.5 -40.15 0.34 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.235 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 81.1 p . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.172 -179.933 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 7' ' ' ARG . . . . . 0.434 ' HA ' ' OD2' ' C' ' 10' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.159 0 CA-C-O 120.518 0.199 . . . . 0.0 110.67 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 2.5 mttm -67.06 -30.62 70.72 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 121.194 0.521 . . . . 0.0 110.026 178.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 35.3 mm-40 -80.32 -30.41 38.12 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.292 179.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 10' ' ' ASP . . . . . 0.504 ' OD1' ' N ' ' C' ' 11' ' ' THR . 13.9 p30 -83.94 -28.84 27.54 Favored 'General case' 0 C--N 1.333 -0.136 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.136 179.367 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 11' ' ' THR . . . . . 0.504 ' N ' ' OD1' ' C' ' 10' ' ' ASP . 13.3 p -73.35 -40.3 64.51 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.903 178.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.3 -49.16 58.5 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.109 179.161 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.06 -23.8 67.28 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.991 178.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 14' ' ' ALA . . . . . 0.476 ' O ' HD21 ' D' ' 113' ' ' LEU . . . -78.28 -54.2 6.48 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.831 179.177 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 15' ' ' LEU . . . . . 0.451 ' CD2' ' HB3' ' C' ' 44' ' ' PHE . 0.5 OUTLIER -67.13 -28.55 68.23 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.464 179.496 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 16' ' ' HIS . . . . . . . . . . . . . 22.2 t-80 -68.81 -44.31 73.78 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 178.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . 0.426 HD23 ' CE1' ' C' ' 21' ' ' TYR . 3.5 mt -65.79 -34.37 78.02 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.299 178.33 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . 0.427 ' CD2' ' CG1' ' D' ' 92' ' ' VAL . 20.1 mt -62.55 -50.33 71.78 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.873 179.738 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . 0.402 ' HG3' ' N ' ' C' ' 20' ' ' GLU . 5.4 pt-20 -60.72 -33.98 73.71 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.702 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 20' ' ' GLU . . . . . 0.402 ' N ' ' HG3' ' C' ' 19' ' ' GLU . 47.5 mt-10 -75.07 -37.27 61.66 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-O 121.117 0.484 . . . . 0.0 110.011 179.287 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 21' ' ' TYR . . . . . 0.617 ' O ' ' HB2' ' C' ' 25' ' ' LEU . 16.2 m-30 -67.23 -47.37 70.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.433 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 22' ' ' ARG . . . . . 0.446 ' HG3' ' N ' ' C' ' 23' ' ' SER . 0.1 OUTLIER -59.18 -43.28 92.17 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.805 0.335 . . . . 0.0 110.467 179.465 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 23' ' ' SER . . . . . 0.446 ' N ' ' HG3' ' C' ' 22' ' ' ARG . 3.6 m -59.7 -35.81 75.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.363 179.412 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 24' ' ' LYS . . . . . . . . . . . . . 7.6 ptmt -100.48 6.05 44.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.262 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 25' ' ' LEU . . . . . 0.617 ' HB2' ' O ' ' C' ' 21' ' ' TYR . 0.3 OUTLIER -95.72 -67.02 0.87 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.914 0.388 . . . . 0.0 111.227 -179.638 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 26' ' ' SER . . . . . 0.513 ' HB3' ' HB2' ' C' ' 34' ' ' ARG . 1.8 p -59.89 -159.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.166 -179.292 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 27' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 59.05 29.58 19.17 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.496 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 28' ' ' THR . . . . . 0.506 ' CG2' ' H ' ' C' ' 29' ' ' GLU . 4.4 t -151.73 -60.64 0.17 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.285 -179.461 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 29' ' ' GLU . . . . . 0.506 ' H ' ' CG2' ' C' ' 28' ' ' THR . 17.2 pt-20 -174.19 28.8 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.721 -179.154 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 30' ' ' ASP . . . . . 0.566 ' HB2' HD23 ' C' ' 25' ' ' LEU . 4.0 m-20 -149.25 49.83 0.96 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.904 0.383 . . . . 0.0 111.078 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.99 -55.01 37.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.349 0.595 . . . . 0.0 110.572 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 3.9 tm0? -52.44 -48.26 65.89 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.45 -0.795 . . . . 0.0 109.93 179.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 33' ' ' LEU . . . . . 0.45 HD13 ' OG ' ' D' ' 95' ' ' SER . 9.2 tp -54.43 -34.37 61.25 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.96 178.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 34' ' ' ARG . . . . . 0.513 ' HB2' ' HB3' ' C' ' 26' ' ' SER . 5.3 ttp180 -60.88 -43.46 98.4 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.434 178.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.48 -35.83 74.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.238 179.228 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 36' ' ' SER . . . . . 0.481 ' HB3' HE21 ' D' ' 91' ' ' GLN . 67.4 m -62.36 -51.81 66.11 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.598 179.711 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 37' ' ' ILE . . . . . 0.632 ' O ' HG12 ' C' ' 41' ' ' ILE . 7.6 mt -58.57 -41.84 83.07 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.325 0 CA-C-O 121.397 0.618 . . . . 0.0 109.389 178.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -58.29 -52.07 67.14 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.786 -1.097 . . . . 0.0 112.017 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 39' ' ' ARG . . . . . 0.473 ' HG3' ' HB1' ' D' ' 88' ' ' ALA . 6.0 ptp180 -55.74 -37.78 68.93 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.396 -0.522 . . . . 0.0 110.236 -179.607 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 64.4 t -64.87 -33.61 64.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 178.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 41' ' ' ILE . . . . . 0.632 HG12 ' O ' ' C' ' 37' ' ' ILE . 44.4 mm -68.41 -60.13 2.86 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.132 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.175 179.501 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 20.3 p -53.63 -46.72 70.58 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.053 0.454 . . . . 0.0 110.333 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 43' ' ' ILE . . . . . 0.438 HG23 ' CE2' ' D' ' 129' ' ' TYR . 15.8 mt -60.07 -33.14 52.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.705 178.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 44' ' ' PHE . . . . . 0.451 ' HB3' ' CD2' ' C' ' 15' ' ' LEU . 0.4 OUTLIER -72.53 -58.72 3.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.711 179.49 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 45' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -62.89 -22.37 66.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.61 -0.723 . . . . 0.0 112.162 -178.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 46' ' ' SER . . . . . 0.432 ' CB ' ' CE1' ' D' ' 129' ' ' TYR . 0.2 OUTLIER -41.13 156.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.91 0.386 . . . . 0.0 111.744 -179.378 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -79.53 -33.51 41.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.463 -179.383 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . 0.553 ' CD1' ' HA ' ' D' ' 129' ' ' TYR . 0.4 OUTLIER -69.35 -45.91 68.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.993 0.425 . . . . 0.0 110.124 179.879 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 49' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -51.48 -56.01 15.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.233 -179.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -54.76 -38.8 67.64 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.596 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.87 -46.32 88.07 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.459 179.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 52' ' ' LEU . . . . . 0.405 ' CD1' ' HA ' ' D' ' 129' ' ' TYR . 2.3 mt -60.12 -45.09 94.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.201 179.327 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 59.3 mt -55.09 -35.77 36.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.42 179.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.34 -39.16 81.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.063 179.288 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 78.0 mt -57.73 -42.32 81.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.637 179.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 56' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -53.73 -23.34 11.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.457 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 57' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -49.19 -31.34 8.32 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.307 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 58' ' ' PHE . . . . . 0.474 ' HA ' ' HG ' ' A' ' 64' ' ' LEU . 48.7 m-85 -154.37 25.85 0.47 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.477 -0.328 . . . . 0.0 111.637 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 59' ' ' TYR . . . . . 0.425 ' CE2' HD11 ' A' ' 63' ' ' LEU . 68.8 m-85 -137.7 107.7 6.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.85 179.659 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 60' ' ' GLU . . . . . 0.418 ' HG2' ' CD2' ' A' ' 64' ' ' LEU . 4.3 mm-40 -90.2 98.41 11.75 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.58 179.698 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 61' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -72.56 96.62 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.002 0.43 . . . . 0.0 110.632 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 62' ' ' THR . . . . . . . . . . . . . 18.0 m -81.13 123.71 28.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.62 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 63' ' ' LEU . . . . . 0.462 ' CD1' ' CZ ' ' A' ' 59' ' ' TYR . 5.7 tp -94.99 121.23 36.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.953 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 64' ' ' LEU . . . . . 0.524 ' CD2' ' N ' ' C' ' 64' ' ' LEU . 0.0 OUTLIER -101.93 -28.07 12.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.638 179.776 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 65' ' ' ASP . . . . . 0.43 ' HB2' ' CG ' ' A' ' 58' ' ' PHE . 0.3 OUTLIER -146.16 -79.76 0.16 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.983 179.89 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 66' ' ' ASN . . . . . . . . . . . . . 3.8 p30 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 -179.915 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 81' ' ' GLY . . . . . 0.438 ' HA3' ' HB2' ' D' ' 130' ' ' ASP . . . . . . . . 0 N--CA 1.448 -0.532 0 N-CA-C 111.585 -0.606 . . . . 0.0 111.585 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 82' ' ' LEU . . . . . 0.591 ' CD2' ' N ' ' D' ' 82' ' ' LEU . 0.4 OUTLIER -88.93 -31.44 18.19 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 121.037 0.446 . . . . 0.0 110.263 179.701 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' D' D ' 83' ' ' LEU . . . . . 0.72 ' O ' ' HB3' ' D' ' 87' ' ' ARG . 0.3 OUTLIER -67.83 -40.64 83.73 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.18 -179.922 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' D' D ' 84' ' ' ALA . . . . . 0.635 ' O ' ' HB2' ' D' ' 88' ' ' ALA . . . -93.31 -17.49 23.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.53 -0.759 . . . . 0.0 112.042 -178.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 85' ' ' ALA . . . . . 0.43 ' CB ' ' CB ' ' D' ' 126' ' ' LEU . . . -52.0 -23.43 5.14 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.157 0.503 . . . . 0.0 110.566 -179.679 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 86' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -126.05 -38.4 2.17 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.587 178.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 87' ' ' ARG . . . . . 0.72 ' HB3' ' O ' ' D' ' 83' ' ' LEU . 35.2 ttt180 -62.99 -53.11 59.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.144 178.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 88' ' ' ALA . . . . . 0.635 ' HB2' ' O ' ' D' ' 84' ' ' ALA . . . -57.77 -43.91 85.82 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.971 179.722 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 89' ' ' VAL . . . . . 0.513 ' CG1' ' HB3' ' D' ' 117' ' ' PHE . 38.9 t -72.03 -35.02 52.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.457 179.28 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 8.2 m -75.26 -26.09 58.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.371 179.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 91' ' ' GLN . . . . . 0.503 ' HG3' ' O ' ' D' ' 87' ' ' ARG . 16.6 mt-30 -66.89 -57.29 7.25 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-O 121.369 0.604 . . . . 0.0 109.526 179.289 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 92' ' ' VAL . . . . . 0.427 ' CG1' ' CD2' ' C' ' 18' ' ' LEU . 9.4 t -65.02 -27.83 43.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.063 -0.971 . . . . 0.0 109.933 179.222 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 93' ' ' LEU . . . . . 0.566 ' CD2' ' HA ' ' D' ' 114' ' ' HIS . 3.4 mt -66.74 -35.28 79.73 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.485 179.627 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -87.14 -34.42 19.09 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.716 0.293 . . . . 0.0 111.493 -179.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 95' ' ' SER . . . . . 0.45 ' OG ' HD13 ' C' ' 33' ' ' LEU . 2.9 p -79.6 -20.75 46.15 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.888 -179.428 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 96' ' ' LEU . . . . . 0.514 ' O ' ' HB ' ' D' ' 99' ' ' ILE . 0.1 OUTLIER -38.04 -50.58 1.36 Allowed 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -179.234 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -69.16 -31.82 70.73 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.058 -179.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.87 -34.91 76.23 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 177.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 99' ' ' ILE . . . . . 0.514 ' HB ' ' O ' ' D' ' 96' ' ' LEU . 26.9 mt -60.69 -50.1 81.83 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.792 0 CA-C-N 114.454 -1.248 . . . . 0.0 110.174 178.726 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 100' ' ' HIS . . . . . 0.55 ' HB2' ' CD1' ' D' ' 110' ' ' LEU . 10.9 t-160 -54.59 -39.12 67.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 122.018 0.913 . . . . 0.0 108.645 178.316 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 101' ' ' ALA . . . . . . . . . . . . . . . -52.39 -45.79 65.99 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 113.748 -1.569 . . . . 0.0 112.194 179.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 102' ' ' LEU . . . . . 0.402 ' CD1' HD22 ' C' ' 25' ' ' LEU . 0.4 OUTLIER -117.67 25.33 10.47 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 -177.381 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' D' D ' 103' ' ' THR . . . . . 0.434 ' OG1' ' O ' ' D' ' 99' ' ' ILE . 31.3 p -142.26 -29.64 0.58 Allowed 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.974 -0.29 . . . . 0.0 111.617 179.611 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 37.9 t70 64.79 28.53 12.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.991 0.424 . . . . 0.0 110.078 -179.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 105' ' ' SER . . . . . 0.413 ' HB3' ' CE1' ' C' ' 21' ' ' TYR . 0.1 OUTLIER -49.46 -83.1 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.178 -179.894 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' D' D ' 106' ' ' SER . . . . . . . . . . . . . 5.3 t 165.87 109.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.144 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -49.01 -38.06 22.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.882 0.372 . . . . 0.0 110.786 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.47 -46.14 91.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.103 0.477 . . . . 0.0 109.963 179.201 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 109' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -69.08 -31.78 70.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.829 178.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 110' ' ' LEU . . . . . 0.55 ' CD1' ' HB2' ' D' ' 100' ' ' HIS . 86.2 mt -67.41 -44.91 77.68 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.233 179.396 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 111' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.93 -38.37 90.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.51 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 112' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -61.67 -43.87 98.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.353 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 113' ' ' LEU . . . . . 0.476 HD21 ' O ' ' C' ' 14' ' ' ALA . 0.4 OUTLIER -70.79 -38.75 73.37 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.825 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' D' D ' 114' ' ' HIS . . . . . 0.566 ' HA ' ' CD2' ' D' ' 93' ' ' LEU . 0.0 OUTLIER -58.71 -33.68 70.46 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 178.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' D' D ' 115' ' ' SER . . . . . . . . . . . . . 23.9 p -72.66 -36.93 68.08 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 177.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 116' ' ' VAL . . . . . 0.459 ' O ' ' CD2' ' D' ' 122' ' ' LEU . 3.5 t -62.71 -30.74 50.06 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 CA-C-N 115.208 -0.905 . . . . 0.0 109.273 178.047 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 117' ' ' PHE . . . . . 0.513 ' HB3' ' CG1' ' D' ' 89' ' ' VAL . 13.6 m-30 -93.59 -26.92 16.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.516 -179.632 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 118' ' ' GLN . . . . . 0.455 ' NE2' ' CD2' ' D' ' 114' ' ' HIS . 0.0 OUTLIER -69.15 -30.61 68.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.838 0.352 . . . . 0.0 111.158 -179.56 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -45.25 115.24 0.88 Allowed 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.372 -179.714 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 120' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -60.33 -35.67 76.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.823 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 121' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -64.9 -34.96 79.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.823 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 122' ' ' LEU . . . . . 0.496 ' HG ' HD12 ' D' ' 126' ' ' LEU . 28.1 tp -56.54 -50.21 72.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.326 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 123' ' ' HIS . . . . . 0.496 ' HA ' HD11 ' D' ' 126' ' ' LEU . 13.7 m170 -51.79 -27.88 13.66 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.13 0.491 . . . . 0.0 110.228 178.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 124' ' ' THR . . . . . . . . . . . . . 3.9 m -74.73 -35.51 62.67 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 115.641 -0.708 . . . . 0.0 109.869 179.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 125' ' ' LEU . . . . . 0.445 ' CD1' ' HA ' ' D' ' 122' ' ' LEU . 16.2 mt -63.64 -44.83 92.7 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.78 179.683 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 126' ' ' LEU . . . . . 0.496 HD11 ' HA ' ' D' ' 123' ' ' HIS . 2.6 mp -67.04 -42.93 83.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.811 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 127' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -59.7 -53.25 60.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.9 179.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 128' ' ' LEU . . . . . 0.427 HD21 ' CD2' ' A' ' 59' ' ' TYR . 4.1 mt -69.79 -29.37 66.67 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.256 179.514 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 129' ' ' TYR . . . . . 0.553 ' HA ' ' CD1' ' C' ' 48' ' ' LEU . 4.8 t80 -55.15 -52.28 63.78 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.18 -179.398 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 130' ' ' ASP . . . . . 0.501 ' HB3' ' CD2' ' D' ' 82' ' ' LEU . 7.5 t70 -77.03 -32.15 56.79 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.172 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 131' ' ' LYS . . . . . . . . . . . . . 7.8 tttt -54.57 -51.51 65.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.934 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 132' ' ' ILE . . . . . . . . . . . . . 3.0 mt -77.72 -42.7 29.28 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 CA-C-O 120.981 0.42 . . . . 0.0 110.781 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 133' ' ' ASN . . . . . . . . . . . . . 58.3 t-20 -56.64 -25.93 54.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.748 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 134' ' ' THR . . . . . . . . . . . . . 97.7 m -83.39 -3.41 57.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.033 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 135' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 79.77 -9.81 1.39 Allowed 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.657 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 136' ' ' SER . . . . . . . . . . . . . 2.8 t . . . . . 0 C--N 1.331 -0.236 0 CA-C-O 120.783 0.325 . . . . 0.0 111.192 179.946 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.87 -38.06 84.28 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 121.084 0.469 . . . . 0.0 110.004 179.202 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 40.9 mm-40 -75.94 -32.26 59.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.228 179.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 -75.42 -32.2 60.62 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.235 179.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.6 p -71.57 -47.15 56.82 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.253 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.19 -36.75 84.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.897 0.38 . . . . 0.0 110.189 179.597 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 -72.96 -25.52 61.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.177 179.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.453 ' CB ' HD21 ' B' ' 113' ' ' LEU . . . -78.21 -55.39 5.3 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 109.543 -0.539 . . . . 0.0 109.543 179.149 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.582 ' HA ' HD11 ' A' ' 18' ' ' LEU . 0.4 OUTLIER -61.08 -28.67 69.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.21 179.477 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 18.4 t-160 -73.64 -44.47 56.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.123 0.487 . . . . 0.0 109.848 179.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.434 HD23 ' CE1' ' A' ' 21' ' ' TYR . 1.3 mt -61.76 -49.5 76.15 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.703 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.582 HD11 ' HA ' ' A' ' 15' ' ' LEU . 1.1 mt -61.77 -32.87 73.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.296 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -58.7 -48.07 82.38 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.182 0.515 . . . . 0.0 110.12 179.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -70.91 -31.72 68.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.873 179.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.639 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 16.5 m-30 -64.83 -47.53 77.65 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.762 179.715 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -61.31 -41.87 97.71 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.757 0.313 . . . . 0.0 110.464 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 52.1 p -57.05 -38.92 73.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.276 179.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.9 ptmt -98.87 1.07 45.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.586 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.639 ' HB2' ' O ' ' A' ' 21' ' ' TYR . 0.1 OUTLIER -89.2 -67.17 0.86 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.964 0.412 . . . . 0.0 111.258 -179.641 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.468 ' HB3' ' HB2' ' A' ' 34' ' ' ARG . 2.2 p -59.85 -159.24 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.122 -179.49 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.409 ' OE1' ' NH1' ' A' ' 31' ' ' ARG . 1.6 mp0 59.43 28.54 17.94 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 120.962 0.41 . . . . 0.0 110.619 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.513 ' CG2' ' H ' ' A' ' 29' ' ' GLU . 4.3 t -150.02 -60.49 0.2 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.201 -179.625 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.513 ' H ' ' CG2' ' A' ' 28' ' ' THR . 22.3 pt-20 -173.66 27.86 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.613 -0.722 . . . . 0.0 111.648 -179.256 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.478 ' HB2' HD23 ' A' ' 25' ' ' LEU . 6.5 m-20 -147.53 54.85 1.07 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.034 0.445 . . . . 0.0 110.87 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.409 ' NH1' ' OE1' ' A' ' 27' ' ' GLN . 0.4 OUTLIER -64.84 -48.75 73.2 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.881 179.52 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.84 -47.32 83.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.831 178.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.4 ' HG ' HD11 ' A' ' 25' ' ' LEU . 9.0 tp -54.97 -35.06 63.89 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.035 179.027 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.468 ' HB2' ' HB3' ' A' ' 26' ' ' SER . 6.4 ttp180 -60.55 -43.72 96.92 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.417 178.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.451 ' HA ' ' HG2' ' A' ' 38' ' ' GLU . 1.0 OUTLIER -61.02 -33.5 73.36 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.329 179.141 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.481 ' HB3' ' HB3' ' B' ' 91' ' ' GLN . 0.6 OUTLIER -66.8 -45.7 77.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.297 0.57 . . . . 0.0 110.424 179.51 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.617 ' O ' HG12 ' A' ' 41' ' ' ILE . 58.4 mt -59.22 -49.57 82.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.753 179.647 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.507 ' HA ' HG12 ' A' ' 41' ' ' ILE . 7.2 pt-20 -59.89 -33.25 71.6 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.525 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.603 ' HB3' ' HB1' ' B' ' 88' ' ' ALA . 10.8 mtt180 -55.65 -53.11 60.55 Favored 'General case' 0 CA--C 1.516 -0.357 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 178.566 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.501 ' O ' ' HB2' ' A' ' 44' ' ' PHE . 61.7 t -60.02 -30.24 45.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.0 178.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.617 HG12 ' O ' ' A' ' 37' ' ' ILE . 9.4 mm -70.02 -58.12 6.32 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-N 116.094 -0.503 . . . . 0.0 112.314 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.2 p -61.35 -46.65 89.35 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-O 120.891 0.377 . . . . 0.0 110.919 -178.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.473 HG22 HD12 ' A' ' 43' ' ' ILE . 14.0 mt -59.73 -34.2 54.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.37 179.508 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.582 ' CD2' ' HB3' ' A' ' 15' ' ' LEU . 2.2 m-85 -72.35 -56.53 5.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.512 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.452 ' HG2' ' O ' ' A' ' 41' ' ' ILE . 6.5 pt20 -79.29 -0.51 32.69 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -177.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.495 ' CB ' ' CE1' ' B' ' 129' ' ' TYR . 0.2 OUTLIER -50.57 165.18 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.826 0.346 . . . . 0.0 111.077 -179.849 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -77.8 -41.69 36.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.199 -179.636 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.573 ' CD1' ' HA ' ' B' ' 129' ' ' TYR . 0.6 OUTLIER -70.08 -47.1 63.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.458 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.546 ' HA ' ' CD2' ' A' ' 52' ' ' LEU . 55.7 t80 -51.25 -56.12 14.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.911 -179.53 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -54.87 -48.49 72.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.013 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.67 -35.83 77.23 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.228 0.537 . . . . 0.0 110.506 179.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.546 ' CD2' ' HA ' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -70.04 -39.44 75.72 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.91 179.48 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.429 ' N ' ' HG ' ' A' ' 52' ' ' LEU . 59.2 mt -58.25 -35.86 55.27 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 178.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -66.17 -41.12 90.77 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.246 178.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.416 ' HB ' ' O ' ' A' ' 52' ' ' LEU . 77.1 mt -53.49 -40.54 41.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.508 179.003 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -55.68 -20.07 12.91 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.584 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.411 ' O ' ' CG ' ' A' ' 58' ' ' PHE . 13.3 pt-20 -43.53 -34.64 1.42 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.739 0.304 . . . . 0.0 111.334 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.454 ' CD1' ' HB2' ' C' ' 65' ' ' ASP . 68.1 m-85 -158.79 27.74 0.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.262 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.462 ' CD2' ' CD2' ' D' ' 128' ' ' LEU . 10.8 m-85 -132.88 77.12 1.72 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.877 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.403 ' HB2' ' HB ' ' C' ' 62' ' ' THR . 1.4 mt-10 -67.11 94.48 0.35 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.672 0.272 . . . . 0.0 110.63 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -72.57 106.44 2.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.92 0.39 . . . . 0.0 111.267 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.5 m -91.92 118.51 30.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.409 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.431 HD11 ' CE2' ' C' ' 59' ' ' TYR . 0.2 OUTLIER -90.53 127.38 36.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.826 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.504 ' CD2' ' N ' ' A' ' 64' ' ' LEU . 0.1 OUTLIER -111.05 -22.41 11.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.991 -179.817 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.406 ' OD1' ' CE2' ' C' ' 58' ' ' PHE . 0.4 OUTLIER -82.98 -4.98 58.89 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.873 179.495 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 . . . . . 0 C--N 1.332 -0.157 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.272 -179.971 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.667 0 N-CA-C 110.007 -1.237 . . . . 0.0 110.007 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . 0.616 ' CD2' ' N ' ' B' ' 82' ' ' LEU . 0.3 OUTLIER -87.59 -34.39 18.54 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 178.349 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . 0.687 ' O ' ' HB3' ' B' ' 87' ' ' ARG . 0.3 OUTLIER -64.95 -48.6 73.51 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.353 179.891 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . 0.541 ' H ' ' CD2' ' B' ' 83' ' ' LEU . . . -71.01 -24.68 62.42 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.921 -179.56 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 85' ' ' ALA . . . . . 0.454 ' CB ' ' CB ' ' B' ' 126' ' ' LEU . . . -53.03 -25.34 12.08 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.244 179.632 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -124.97 -43.64 1.96 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.435 178.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 87' ' ' ARG . . . . . 0.687 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 14.1 ttt180 -58.7 -51.02 71.72 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.003 178.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . 0.603 ' HB1' ' HB3' ' A' ' 39' ' ' ARG . . . -61.81 -45.55 93.35 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.954 179.57 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 89' ' ' VAL . . . . . 0.449 HG12 ' CD2' ' B' ' 117' ' ' PHE . 32.3 t -58.43 -56.08 18.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.053 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.91 -21.08 66.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.17 179.685 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 91' ' ' GLN . . . . . 0.481 ' HB3' ' HB3' ' A' ' 36' ' ' SER . 0.3 OUTLIER -67.24 -58.02 5.62 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-O 121.262 0.553 . . . . 0.0 110.314 -179.933 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 92' ' ' VAL . . . . . 0.437 ' CG1' ' CD2' ' A' ' 18' ' ' LEU . 6.4 t -68.25 -27.44 37.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.176 179.45 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . 0.506 ' HG ' ' CD2' ' B' ' 117' ' ' PHE . 0.7 OUTLIER -70.9 -28.94 64.9 Favored 'General case' 0 CA--C 1.528 0.1 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.199 179.85 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -84.82 -44.57 13.15 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.879 0.371 . . . . 0.0 111.232 -179.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.5 -13.95 58.66 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.064 -0.516 . . . . 0.0 112.157 -179.243 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . 0.463 ' O ' ' HB ' ' B' ' 99' ' ' ILE . 0.2 OUTLIER -38.78 -52.5 1.71 Allowed 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -179.331 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -70.77 -28.01 64.36 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.061 -179.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . 0.403 ' O ' ' HG ' ' B' ' 102' ' ' LEU . 0.1 OUTLIER -69.67 -34.15 73.58 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 177.78 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 99' ' ' ILE . . . . . 0.478 HG12 ' CD1' ' A' ' 25' ' ' LEU . 61.6 mt -62.75 -49.53 83.32 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.911 0 CA-C-N 114.586 -1.188 . . . . 0.0 109.808 178.471 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . 0.511 ' HB2' ' CD1' ' B' ' 110' ' ' LEU . 2.4 t-160 -56.72 -32.43 65.51 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 178.077 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -58.3 -45.66 87.57 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.523 -1.217 . . . . 0.0 112.024 179.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 102' ' ' LEU . . . . . 0.427 ' CD1' HD22 ' A' ' 25' ' ' LEU . 0.4 OUTLIER -116.68 26.03 10.14 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.696 -0.684 . . . . 0.0 112.707 -177.419 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 103' ' ' THR . . . . . 0.438 HG21 ' O ' ' B' ' 99' ' ' ILE . 31.1 p -140.45 -30.46 0.66 Allowed 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 121.07 -0.252 . . . . 0.0 111.521 179.705 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 67.1 26.97 8.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.934 0.397 . . . . 0.0 110.516 -179.57 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 105' ' ' SER . . . . . 0.429 ' HB3' ' CE1' ' A' ' 21' ' ' TYR . 18.8 m -52.98 -77.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.683 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 6.5 t 167.32 105.16 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.366 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -47.45 -34.99 7.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.92 0.391 . . . . 0.0 110.515 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.08 -42.48 84.6 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.676 178.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -64.13 -36.79 85.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.85 178.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 110' ' ' LEU . . . . . 0.511 ' CD1' ' HB2' ' B' ' 100' ' ' HIS . 33.5 mt -63.77 -37.84 88.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.854 179.123 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -62.76 -43.93 97.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.538 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -58.81 -47.27 85.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.191 179.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 113' ' ' LEU . . . . . 0.453 HD21 ' CB ' ' A' ' 14' ' ' ALA . 0.6 OUTLIER -70.07 -32.92 71.24 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.132 -0.485 . . . . 0.0 109.83 179.306 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 114' ' ' HIS . . . . . 0.694 ' O ' ' HG2' ' B' ' 118' ' ' GLN . 1.5 m-70 -53.86 -41.54 67.61 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 178.488 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 115' ' ' SER . . . . . 0.524 ' HA ' ' HG2' ' B' ' 118' ' ' GLN . 58.7 m -78.41 -33.9 48.37 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.34 179.117 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 116' ' ' VAL . . . . . 0.427 ' O ' ' CD2' ' B' ' 122' ' ' LEU . 52.0 t -56.11 -24.75 18.33 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.113 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 178.785 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 117' ' ' PHE . . . . . 0.506 ' CD2' ' HG ' ' B' ' 93' ' ' LEU . 0.6 OUTLIER -101.53 -26.75 13.44 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.49 179.926 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 118' ' ' GLN . . . . . 0.694 ' HG2' ' O ' ' B' ' 114' ' ' HIS . 35.0 mm-40 -56.89 -44.43 82.28 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.086 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -37.32 125.77 1.02 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.17 -179.139 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.73 -46.17 63.53 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.472 179.634 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -55.79 -33.72 64.64 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.368 179.319 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . 0.618 ' HG ' HD13 ' B' ' 126' ' ' LEU . 37.2 tp -55.7 -49.28 73.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.133 179.57 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 123' ' ' HIS . . . . . 0.581 ' HA ' ' CD1' ' B' ' 126' ' ' LEU . 0.0 OUTLIER -52.32 -28.5 19.47 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.102 0.477 . . . . 0.0 110.096 178.787 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 124' ' ' THR . . . . . 0.42 ' N ' ' CD2' ' B' ' 123' ' ' HIS . 10.6 m -75.52 -32.15 60.39 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.793 179.208 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . 0.482 ' HA ' ' CD1' ' A' ' 52' ' ' LEU . 29.4 mt -64.92 -50.44 66.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.829 179.565 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . 0.618 HD13 ' HG ' ' B' ' 122' ' ' LEU . 1.0 OUTLIER -63.78 -41.85 97.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.064 -179.729 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -60.86 -51.21 70.26 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.902 0.382 . . . . 0.0 110.903 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . 0.477 ' CD2' ' CD2' ' C' ' 59' ' ' TYR . 48.2 mt -72.38 -29.95 64.24 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.512 179.639 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 129' ' ' TYR . . . . . 0.573 ' HA ' ' CD1' ' A' ' 48' ' ' LEU . 0.7 OUTLIER -55.73 -53.06 61.29 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.221 -179.371 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 130' ' ' ASP . . . . . 0.422 ' HB2' HD23 ' B' ' 82' ' ' LEU . 3.7 m-20 -77.91 -31.5 51.19 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.324 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.45 -49.38 70.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.77 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 4.9 mt -78.15 -41.15 26.56 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 CA-C-O 121.003 0.43 . . . . 0.0 110.651 179.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 133' ' ' ASN . . . . . . . . . . . . . 44.9 t-20 -58.13 -25.68 61.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.937 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 134' ' ' THR . . . . . 0.422 ' O ' ' CB ' ' B' ' 135' ' ' LYS . 95.7 m -83.4 0.32 46.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.195 179.764 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 135' ' ' LYS . . . . . 0.422 ' CB ' ' O ' ' B' ' 134' ' ' THR . 6.9 mttp 81.59 -14.19 0.82 Allowed 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.847 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 C--N 1.331 -0.213 0 CA-C-O 120.799 0.333 . . . . 0.0 111.18 179.959 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.95 -37.76 88.72 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 179.131 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 51.0 mm-40 -73.82 -30.97 62.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.841 178.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -78.53 -29.58 46.57 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.756 179.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 11' ' ' THR . . . . . 0.445 HG21 ' CD2' ' C' ' 44' ' ' PHE . 97.7 m -72.06 -49.6 35.21 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.427 179.575 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -67.28 -34.71 77.98 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.942 0.401 . . . . 0.0 110.049 179.431 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 13' ' ' ARG . . . . . 0.416 ' HG2' ' CE2' ' D' ' 112' ' ' PHE . 12.1 ttp180 -74.3 -25.46 59.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.869 179.054 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 14' ' ' ALA . . . . . 0.46 ' O ' HD22 ' D' ' 113' ' ' LEU . . . -78.46 -54.96 5.6 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.625 178.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 15' ' ' LEU . . . . . 0.583 ' HB3' ' CD2' ' C' ' 44' ' ' PHE . 0.4 OUTLIER -61.93 -24.44 66.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.662 179.145 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 16' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -73.5 -47.87 37.73 Favored 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 178.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . 0.451 ' CD2' ' CE1' ' C' ' 21' ' ' TYR . 3.5 mt -61.76 -34.94 76.73 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.471 178.633 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . 0.433 ' CD2' ' CG1' ' D' ' 92' ' ' VAL . 63.3 mt -62.78 -47.58 82.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.715 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -59.12 -40.25 84.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -74.79 -36.35 62.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.192 179.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 21' ' ' TYR . . . . . 0.554 ' O ' ' HB2' ' C' ' 25' ' ' LEU . 10.6 m-30 -64.89 -46.83 80.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.521 179.741 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 22' ' ' ARG . . . . . 0.419 ' HB3' ' HB ' ' C' ' 37' ' ' ILE . 45.5 ptt85 -61.74 -44.9 96.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.6 179.758 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 23' ' ' SER . . . . . 0.404 ' N ' ' HG3' ' C' ' 22' ' ' ARG . 2.8 p -57.43 -34.71 69.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.689 179.7 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 24' ' ' LYS . . . . . 0.427 ' HG3' ' HB ' ' D' ' 103' ' ' THR . 5.1 ptmt -99.34 -7.65 25.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.586 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 25' ' ' LEU . . . . . 0.554 ' HB2' ' O ' ' C' ' 21' ' ' TYR . 0.6 OUTLIER -82.46 -68.65 0.68 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.86 0.362 . . . . 0.0 110.927 -179.929 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 26' ' ' SER . . . . . 0.471 ' HB2' ' HB2' ' C' ' 34' ' ' ARG . 32.6 t -61.99 -150.99 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.719 -179.542 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 27' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 57.15 24.33 9.61 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 121.023 0.439 . . . . 0.0 110.106 -179.385 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 28' ' ' THR . . . . . 0.45 ' CG2' ' H ' ' C' ' 29' ' ' GLU . 7.7 t -150.35 -54.54 0.16 Allowed 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.706 -179.098 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 29' ' ' GLU . . . . . 0.45 ' H ' ' CG2' ' C' ' 28' ' ' THR . 12.5 pt-20 -175.81 28.11 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.573 -179.413 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 30' ' ' ASP . . . . . 0.427 ' CB ' HD21 ' C' ' 25' ' ' LEU . 1.7 m-20 -142.13 56.2 1.46 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.979 0.419 . . . . 0.0 111.035 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 -66.99 -53.05 35.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.11 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.17 -50.78 72.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.964 179.003 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 33' ' ' LEU . . . . . 0.439 ' CD2' ' HB2' ' D' ' 95' ' ' SER . 15.7 tp -53.42 -33.11 52.69 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.086 179.083 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 34' ' ' ARG . . . . . 0.471 ' HB2' ' HB2' ' C' ' 26' ' ' SER . 6.4 ttp180 -60.4 -47.98 83.76 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.355 178.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 21.2 m -56.42 -34.8 67.12 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.458 179.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 36' ' ' SER . . . . . 0.463 ' O ' ' HG2' ' C' ' 39' ' ' ARG . 0.7 OUTLIER -64.66 -48.74 73.67 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 121.077 0.465 . . . . 0.0 110.481 179.583 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 37' ' ' ILE . . . . . 0.589 ' O ' HG12 ' C' ' 41' ' ' ILE . 5.7 mt -60.97 -39.91 83.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.332 0.587 . . . . 0.0 109.584 178.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -61.0 -51.23 70.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.897 -1.047 . . . . 0.0 111.833 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 39' ' ' ARG . . . . . 0.463 ' HG2' ' O ' ' C' ' 36' ' ' SER . 4.3 ptp85 -55.28 -41.46 72.31 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.581 -0.448 . . . . 0.0 110.118 -179.765 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . 0.436 ' O ' ' HB2' ' C' ' 44' ' ' PHE . 93.5 t -60.98 -36.99 76.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 178.344 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 41' ' ' ILE . . . . . 0.589 HG12 ' O ' ' C' ' 37' ' ' ILE . 10.5 mm -58.53 -58.86 4.81 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.103 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.247 179.524 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 18.8 p -58.94 -46.58 87.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.899 0.38 . . . . 0.0 110.649 -179.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 43' ' ' ILE . . . . . 0.454 ' HA ' ' CE2' ' D' ' 129' ' ' TYR . 11.1 mt -59.79 -34.96 57.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.158 179.308 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 44' ' ' PHE . . . . . 0.583 ' CD2' ' HB3' ' C' ' 15' ' ' LEU . 1.5 m-85 -72.42 -55.56 6.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.091 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 45' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -77.23 -1.79 31.36 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 -178.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 46' ' ' SER . . . . . 0.405 ' OG ' ' CE1' ' D' ' 129' ' ' TYR . 1.4 t -54.73 131.66 44.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.811 0.338 . . . . 0.0 111.037 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -53.44 -32.74 51.2 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . 0.507 ' C ' ' CD1' ' C' ' 48' ' ' LEU . 0.2 OUTLIER -74.64 -48.52 25.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.773 179.435 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 49' ' ' PHE . . . . . 0.459 ' HA ' ' CD2' ' C' ' 52' ' ' LEU . 47.1 t80 -50.46 -53.12 32.18 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.583 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 22.6 mm-40 -58.08 -24.74 59.74 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.054 0.454 . . . . 0.0 110.046 178.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 51' ' ' ALA . . . . . 0.424 ' CB ' ' O ' ' C' ' 48' ' ' LEU . . . -63.0 -53.56 52.01 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.929 179.761 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 52' ' ' LEU . . . . . 0.471 HD21 ' O ' ' C' ' 48' ' ' LEU . 0.0 OUTLIER -61.29 -44.03 97.9 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 120.236 -0.585 . . . . 0.0 110.365 179.824 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 53' ' ' ILE . . . . . 0.433 HG12 HD12 ' D' ' 125' ' ' LEU . 39.2 mt -51.49 -39.1 21.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-O 121.059 0.457 . . . . 0.0 110.306 179.481 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . 0.402 ' O ' ' CG ' ' C' ' 57' ' ' GLU . 3.3 t0 -73.46 -35.72 65.76 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.101 179.148 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 55' ' ' ILE . . . . . 0.484 HG23 HD12 ' C' ' 55' ' ' ILE . 41.5 mt -68.16 -32.33 55.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.862 179.618 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.38 -20.12 4.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.926 -179.772 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 57' ' ' GLU . . . . . 0.403 ' O ' ' CD1' ' C' ' 58' ' ' PHE . 0.2 OUTLIER -44.02 -46.64 8.48 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 111.712 0.264 . . . . 0.0 111.712 -179.618 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 58' ' ' PHE . . . . . 0.415 ' HB3' ' HG ' ' A' ' 64' ' ' LEU . 74.2 m-85 -152.55 40.02 0.58 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.683 0.277 . . . . 0.0 111.489 -179.609 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 59' ' ' TYR . . . . . 0.477 ' CD2' ' CD2' ' B' ' 128' ' ' LEU . 51.7 m-85 -134.13 80.53 1.87 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.735 179.64 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -71.96 104.14 3.43 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.629 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 61' ' ' VAL . . . . . 0.447 HG22 HG22 ' D' ' 124' ' ' THR . 0.0 OUTLIER -85.37 96.48 4.98 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 CA-C-O 120.909 0.385 . . . . 0.0 110.724 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 62' ' ' THR . . . . . 0.403 ' HB ' ' HB2' ' A' ' 60' ' ' GLU . 15.7 m -71.72 113.16 8.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.084 179.503 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 63' ' ' LEU . . . . . 0.45 ' CD2' ' CE1' ' D' ' 123' ' ' HIS . 3.5 mp -86.25 126.1 34.04 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 -179.66 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 64' ' ' LEU . . . . . 0.532 ' CD2' ' N ' ' C' ' 64' ' ' LEU . 0.1 OUTLIER -108.32 -23.5 11.88 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.476 179.728 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 65' ' ' ASP . . . . . 0.488 ' O ' ' ND2' ' C' ' 66' ' ' ASN . 29.0 t0 -118.08 -44.55 2.69 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.645 179.571 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 66' ' ' ASN . . . . . 0.488 ' ND2' ' O ' ' C' ' 65' ' ' ASP . 5.7 m-80 . . . . . 0 N--CA 1.466 0.347 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.785 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.778 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 82' ' ' LEU . . . . . 0.652 ' CD2' ' N ' ' D' ' 82' ' ' LEU . 0.3 OUTLIER -87.92 -24.96 23.46 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.847 0.356 . . . . 0.0 110.803 179.837 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D ' 83' ' ' LEU . . . . . 0.723 ' O ' ' HB3' ' D' ' 87' ' ' ARG . 0.2 OUTLIER -67.37 -47.72 69.56 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.4 -179.662 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D ' 84' ' ' ALA . . . . . 0.766 ' O ' ' HB1' ' D' ' 88' ' ' ALA . . . -84.87 -17.37 38.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.54 -0.754 . . . . 0.0 111.51 -179.33 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 85' ' ' ALA . . . . . 0.47 ' CB ' ' HB3' ' D' ' 126' ' ' LEU . . . -51.81 -24.52 6.17 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.345 -0.542 . . . . 0.0 109.749 179.283 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 86' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -126.88 -36.69 2.18 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.004 178.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 87' ' ' ARG . . . . . 0.723 ' HB3' ' O ' ' D' ' 83' ' ' LEU . 19.4 ttt85 -67.5 -41.53 84.34 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.577 179.479 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 88' ' ' ALA . . . . . 0.766 ' HB1' ' O ' ' D' ' 84' ' ' ALA . . . -66.22 -43.02 87.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.445 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 89' ' ' VAL . . . . . 0.46 ' CG1' ' HB3' ' D' ' 117' ' ' PHE . 64.7 t -70.41 -46.46 70.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.099 179.018 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 37.9 t -65.41 -25.09 67.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.537 179.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 91' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -67.5 -56.91 7.66 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.64 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 92' ' ' VAL . . . . . 0.462 ' CG2' ' HA ' ' C' ' 37' ' ' ILE . 6.4 t -67.37 -28.1 41.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.016 179.089 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 93' ' ' LEU . . . . . 0.599 HD23 ' HA ' ' D' ' 114' ' ' HIS . 1.6 mt -64.29 -36.22 83.41 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.017 179.385 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -84.61 -35.11 22.93 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.865 0.364 . . . . 0.0 110.995 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 95' ' ' SER . . . . . 0.482 ' O ' ' N ' ' D' ' 98' ' ' GLU . 0.1 OUTLIER -80.24 -26.43 39.06 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.104 -0.498 . . . . 0.0 112.13 -179.335 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D ' 96' ' ' LEU . . . . . 0.503 ' O ' ' HB ' ' D' ' 99' ' ' ILE . 0.2 OUTLIER -34.71 -52.3 0.52 Allowed 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 112.581 0.585 . . . . 0.0 112.581 -178.806 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -69.86 -30.39 67.84 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.911 0.386 . . . . 0.0 111.007 -179.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 98' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' D' ' 95' ' ' SER . 0.0 OUTLIER -68.99 -33.96 74.52 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 177.546 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D ' 99' ' ' ILE . . . . . 0.503 ' HB ' ' O ' ' D' ' 96' ' ' LEU . 4.8 mt -61.57 -49.54 83.98 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.761 0 CA-C-N 114.47 -1.241 . . . . 0.0 110.079 178.554 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 100' ' ' HIS . . . . . 0.487 ' HB2' ' CD1' ' D' ' 110' ' ' LEU . 2.0 t-160 -57.68 -33.39 68.3 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 178.472 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 101' ' ' ALA . . . . . . . . . . . . . . . -57.07 -45.26 83.43 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 114.529 -1.214 . . . . 0.0 111.962 179.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 102' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' D' ' 98' ' ' GLU . 0.4 OUTLIER -117.74 30.96 6.97 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.617 -0.72 . . . . 0.0 112.671 -177.423 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D ' 103' ' ' THR . . . . . 0.427 ' HB ' ' HG3' ' C' ' 24' ' ' LYS . 31.2 p -145.83 -34.02 0.32 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.638 0.256 . . . . 0.0 111.393 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 70.9 27.2 3.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.783 0.325 . . . . 0.0 110.402 -179.537 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 105' ' ' SER . . . . . . . . . . . . . 11.3 m -53.8 -76.88 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.733 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 106' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 166.84 103.91 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.424 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -47.34 -30.87 3.46 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.862 0.363 . . . . 0.0 110.535 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 11.4 mmtm -69.0 -44.7 72.27 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 178.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 109' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.52 -36.06 82.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.678 178.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 110' ' ' LEU . . . . . 0.487 ' CD1' ' HB2' ' D' ' 100' ' ' HIS . 27.1 mt -62.08 -39.9 93.98 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.003 179.146 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 111' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.16 -41.43 97.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.472 179.672 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 112' ' ' PHE . . . . . 0.416 ' CE2' ' HG2' ' C' ' 13' ' ' ARG . 2.0 t80 -58.56 -42.53 88.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.211 179.508 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 113' ' ' LEU . . . . . 0.46 HD22 ' O ' ' C' ' 14' ' ' ALA . 0.5 OUTLIER -72.82 -32.87 65.82 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.57 179.821 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D ' 114' ' ' HIS . . . . . 0.599 ' HA ' HD23 ' D' ' 93' ' ' LEU . 41.2 m170 -58.12 -34.98 70.82 Favored 'General case' 0 CA--C 1.516 -0.331 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 178.169 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 115' ' ' SER . . . . . . . . . . . . . 65.9 m -74.28 -38.56 63.36 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.215 178.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 116' ' ' VAL . . . . . 0.432 ' O ' ' CD2' ' D' ' 122' ' ' LEU . 54.2 t -60.6 -23.7 29.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.965 178.473 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 117' ' ' PHE . . . . . 0.46 ' HB3' ' CG1' ' D' ' 89' ' ' VAL . 28.8 m-85 -103.37 -30.43 10.6 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.197 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 118' ' ' GLN . . . . . 0.405 ' NE2' ' CD1' ' D' ' 93' ' ' LEU . 0.0 OUTLIER -63.57 -32.08 73.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.447 -179.12 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -43.89 122.69 2.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.578 -179.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 120' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.23 -47.57 79.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.92 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 121' ' ' HIS . . . . . . . . . . . . . 10.4 m170 -55.2 -33.2 62.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.669 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 122' ' ' LEU . . . . . 0.433 ' HA ' ' CD1' ' D' ' 125' ' ' LEU . 51.1 tp -55.68 -44.7 77.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.92 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 123' ' ' HIS . . . . . 0.599 ' HA ' ' CD1' ' D' ' 126' ' ' LEU . 0.0 OUTLIER -59.79 -23.31 63.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.951 0.405 . . . . 0.0 110.025 179.362 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D ' 124' ' ' THR . . . . . 0.447 HG22 HG22 ' C' ' 61' ' ' VAL . 19.4 m -77.8 -34.73 52.04 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.822 -0.627 . . . . 0.0 109.694 178.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 125' ' ' LEU . . . . . 0.433 ' CD1' ' HA ' ' D' ' 122' ' ' LEU . 9.5 mt -69.58 -40.68 76.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.194 178.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 126' ' ' LEU . . . . . 0.599 ' CD1' ' HA ' ' D' ' 123' ' ' HIS . 1.2 mt -65.48 -45.9 81.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.09 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 127' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -65.68 -41.77 92.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.889 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 128' ' ' LEU . . . . . 0.462 ' CD2' ' CD2' ' A' ' 59' ' ' TYR . 20.2 mt -75.31 -30.72 60.43 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 129' ' ' TYR . . . . . 0.483 ' HA ' ' CD1' ' C' ' 48' ' ' LEU . 0.1 OUTLIER -62.62 -53.56 52.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.358 -179.049 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D ' 130' ' ' ASP . . . . . 0.433 ' HB2' HD22 ' D' ' 82' ' ' LEU . 11.2 m-20 -77.53 -31.46 53.4 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.826 -179.176 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 131' ' ' LYS . . . . . 0.406 ' O ' HG21 ' D' ' 134' ' ' THR . 0.0 OUTLIER -60.31 -41.3 93.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.656 0.265 . . . . 0.0 110.849 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D ' 132' ' ' ILE . . . . . . . . . . . . . 8.0 mt -81.54 -43.31 20.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.04 0.448 . . . . 0.0 110.393 179.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 133' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -55.14 -24.64 27.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.708 179.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 134' ' ' THR . . . . . 0.468 ' O ' ' CB ' ' D' ' 135' ' ' LYS . 1.3 t -71.46 -6.94 44.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.052 179.721 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 135' ' ' LYS . . . . . 0.468 ' CB ' ' O ' ' D' ' 134' ' ' THR . 1.8 mttm 89.57 -23.01 0.1 Allowed 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 122.783 0.433 . . . . 0.0 111.691 179.694 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.351 0 CA-C-O 120.818 0.342 . . . . 0.0 110.983 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.62 -38.88 90.69 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 121.183 0.516 . . . . 0.0 109.692 179.117 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 65.5 mm-40 -77.82 -26.85 49.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.437 -0.802 . . . . 0.0 109.964 178.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -80.49 -31.23 37.31 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.367 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.3 p -75.04 -41.23 59.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.317 179.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.97 -38.79 72.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.411 179.512 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.2 ttt85 -74.64 -24.67 58.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.971 179.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.434 ' O ' HD22 ' B' ' 113' ' ' LEU . . . -78.68 -51.32 10.02 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.723 179.1 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.551 ' CD2' ' HB3' ' A' ' 44' ' ' PHE . 0.4 OUTLIER -64.57 -28.58 69.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.868 179.604 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -73.63 -46.53 46.25 Favored 'General case' 0 CA--C 1.519 -0.233 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 179.018 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.43 HD21 ' CE1' ' A' ' 21' ' ' TYR . 1.1 mt -59.86 -43.06 94.87 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.857 179.082 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.444 ' HB3' ' CG2' ' A' ' 37' ' ' ILE . 20.3 mt -60.34 -42.0 94.76 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.649 179.708 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.74 -42.36 88.64 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.074 0.464 . . . . 0.0 110.497 179.739 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.28 -33.24 69.56 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.657 179.294 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.682 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 15.0 m-30 -66.43 -47.97 71.53 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.714 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.436 ' HB3' HD12 ' A' ' 37' ' ' ILE . 3.3 ptm180 -58.74 -44.4 90.48 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 120.824 0.345 . . . . 0.0 110.706 179.734 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.44 -37.35 75.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.538 179.512 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.5 ptmt -100.29 5.54 44.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.374 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.682 ' HB2' ' O ' ' A' ' 21' ' ' TYR . 0.4 OUTLIER -94.29 -68.01 0.82 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.841 0.353 . . . . 0.0 111.343 -179.484 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.47 ' HB2' ' HB2' ' A' ' 34' ' ' ARG . 37.4 t -63.55 -149.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.736 -179.276 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 55.24 24.96 6.84 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 121.142 0.496 . . . . 0.0 110.065 -179.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.477 ' CG2' ' H ' ' A' ' 29' ' ' GLU . 6.6 t -149.13 -56.69 0.2 Allowed 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.729 -179.375 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.477 ' H ' ' CG2' ' A' ' 28' ' ' THR . 17.2 pt-20 -178.11 28.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.586 -179.331 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.43 ' HB3' ' HB3' ' A' ' 33' ' ' LEU . 0.7 OUTLIER -141.8 46.81 1.66 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.03 0.443 . . . . 0.0 111.175 -179.603 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.71 -55.34 35.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.421 0.629 . . . . 0.0 110.209 179.674 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.94 -47.63 74.22 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.488 178.656 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.43 ' HB3' ' HB3' ' A' ' 30' ' ' ASP . 15.9 tp -54.72 -32.31 59.45 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.676 178.414 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.47 ' HB2' ' HB2' ' A' ' 26' ' ' SER . 1.8 ttp180 -60.97 -44.43 97.36 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 178.383 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.4 -37.61 72.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.102 -0.953 . . . . 0.0 110.369 178.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.429 ' HB2' HE21 ' B' ' 91' ' ' GLN . 25.1 p -60.19 -51.59 68.91 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.11 0.481 . . . . 0.0 110.308 179.536 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.585 ' O ' HG12 ' A' ' 41' ' ' ILE . 5.4 mt -56.19 -43.66 76.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.209 179.293 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -54.68 -44.39 73.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.839 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.42 ' HB3' ' CB ' ' B' ' 88' ' ' ALA . 18.1 mtt180 -56.53 -49.77 73.8 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.232 0.539 . . . . 0.0 110.009 179.415 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.498 ' CG1' ' CE2' ' A' ' 44' ' ' PHE . 24.9 t -60.55 -34.71 59.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.66 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.585 HG12 ' O ' ' A' ' 37' ' ' ILE . 7.8 mm -69.69 -53.65 23.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.478 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.4 t -62.3 -48.95 77.61 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-O 120.899 0.38 . . . . 0.0 110.851 -179.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.467 HD13 HG22 ' A' ' 43' ' ' ILE . 8.8 mt -59.79 -32.76 50.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.333 179.593 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.551 ' HB3' ' CD2' ' A' ' 15' ' ' LEU . 0.4 OUTLIER -72.24 -55.52 7.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.069 -0.514 . . . . 0.0 112.072 179.862 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.444 ' HG2' ' O ' ' A' ' 41' ' ' ILE . 4.2 pt20 -79.35 -0.03 30.96 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.284 0.476 . . . . 0.0 112.284 -178.445 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.408 ' OG ' ' CE1' ' B' ' 129' ' ' TYR . 1.2 t -53.56 128.92 30.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.757 0.313 . . . . 0.0 110.966 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -49.85 -31.29 11.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.525 ' CD1' ' HA ' ' B' ' 129' ' ' TYR . 0.3 OUTLIER -76.9 -48.42 18.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.073 179.674 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.438 ' CD2' HD12 ' A' ' 53' ' ' ILE . 55.3 t80 -51.02 -48.89 61.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.346 -179.612 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -56.63 -44.26 81.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.827 0.346 . . . . 0.0 110.921 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.74 -44.45 90.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.605 179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.439 ' CD1' ' N ' ' B' ' 129' ' ' TYR . 0.5 OUTLIER -61.49 -45.35 94.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.289 179.473 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.447 HD11 HG21 ' A' ' 53' ' ' ILE . 47.8 mt -54.5 -37.22 37.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.405 179.326 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.407 ' O ' ' CG ' ' A' ' 57' ' ' GLU . 14.2 t0 -63.65 -50.12 70.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.435 179.591 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 67.0 mt -53.0 -34.24 20.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.091 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.419 ' HG2' ' CE1' ' B' ' 121' ' ' HIS . 0.0 OUTLIER -53.22 -20.62 4.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.762 -179.763 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.417 ' O ' ' CD1' ' A' ' 58' ' ' PHE . 0.2 OUTLIER -45.13 -47.28 12.19 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 111.743 0.275 . . . . 0.0 111.743 -179.59 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.466 ' CB ' ' HB2' ' C' ' 65' ' ' ASP . 73.7 m-85 -152.85 39.54 0.54 Allowed 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 121.038 -0.265 . . . . 0.0 111.713 -179.299 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.423 ' CE2' HD12 ' C' ' 63' ' ' LEU . 22.2 m-85 -134.08 71.33 1.45 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.841 0.353 . . . . 0.0 110.891 179.66 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -60.63 105.24 0.42 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.791 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -85.43 96.98 5.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.992 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.442 ' HB ' ' HB2' ' C' ' 60' ' ' GLU . 76.2 m -71.44 122.78 21.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.569 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.462 ' CD1' ' CE2' ' C' ' 59' ' ' TYR . 1.2 mp -95.23 119.78 34.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.839 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.484 ' CD2' ' N ' ' A' ' 64' ' ' LEU . 0.1 OUTLIER -108.4 -22.23 12.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.639 179.828 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.415 ' HB2' ' CB ' ' C' ' 58' ' ' PHE . 0.7 OUTLIER -89.9 -11.69 41.09 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.067 179.543 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 12.4 p-10 . . . . . 0 C--N 1.333 -0.137 0 CA-C-O 120.805 0.336 . . . . 0.0 111.149 -179.832 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.637 0 N-CA-C 111.374 -0.69 . . . . 0.0 111.374 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . 0.67 ' CD2' ' N ' ' B' ' 82' ' ' LEU . 0.2 OUTLIER -89.22 -22.35 22.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.813 0.339 . . . . 0.0 110.657 179.85 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . 0.779 ' O ' ' HB3' ' B' ' 87' ' ' ARG . 0.3 OUTLIER -67.63 -41.36 84.05 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.94 -179.342 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . 0.618 ' O ' ' HB3' ' B' ' 88' ' ' ALA . . . -93.4 -19.76 20.99 Favored 'General case' 0 C--N 1.328 -0.35 0 O-C-N 123.793 0.683 . . . . 0.0 112.312 -178.44 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 85' ' ' ALA . . . . . 0.437 ' HB2' ' HB2' ' B' ' 126' ' ' LEU . . . -51.81 -26.24 9.4 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.472 -179.391 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . 0.408 ' HG3' ' CE1' ' B' ' 123' ' ' HIS . 4.4 tt0 -120.89 -41.71 2.54 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.432 178.449 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 87' ' ' ARG . . . . . 0.779 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 38.8 ttt180 -60.09 -56.64 19.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.061 -0.972 . . . . 0.0 110.188 178.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . 0.618 ' HB3' ' O ' ' B' ' 84' ' ' ALA . . . -57.35 -38.24 73.85 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.633 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 89' ' ' VAL . . . . . 0.456 ' CG1' ' HB3' ' B' ' 117' ' ' PHE . 25.0 t -68.12 -42.47 85.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.331 179.094 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 90' ' ' SER . . . . . 0.421 ' HA ' ' HB2' ' B' ' 93' ' ' LEU . 35.5 t -75.04 -23.7 58.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.837 179.713 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 91' ' ' GLN . . . . . 0.429 HE21 ' HB2' ' A' ' 36' ' ' SER . 17.4 mt-30 -66.52 -57.68 6.8 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 121.282 0.563 . . . . 0.0 109.844 179.561 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 92' ' ' VAL . . . . . 0.459 HG23 ' HA ' ' A' ' 37' ' ' ILE . 10.2 t -67.84 -28.11 40.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.034 179.286 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . 0.564 HD22 ' HA ' ' B' ' 114' ' ' HIS . 5.8 mt -68.36 -29.68 68.46 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.99 179.648 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -85.12 -40.61 16.56 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.945 0.402 . . . . 0.0 111.102 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 95' ' ' SER . . . . . 0.414 ' CB ' HD12 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -80.0 -15.18 57.76 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.995 -179.441 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . 0.461 ' O ' ' HB ' ' B' ' 99' ' ' ILE . 0.1 OUTLIER -38.87 -52.51 1.75 Allowed 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -179.316 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -70.09 -30.0 67.12 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.967 -179.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.56 -32.86 71.9 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 177.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 99' ' ' ILE . . . . . 0.518 HG12 ' CD1' ' A' ' 25' ' ' LEU . 48.3 mt -63.4 -49.51 82.51 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.859 0 CA-C-N 114.64 -1.164 . . . . 0.0 109.883 178.691 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . 0.503 ' HB2' ' CD1' ' B' ' 110' ' ' LEU . 1.3 t-160 -56.61 -33.75 66.55 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 178.046 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -55.71 -45.97 77.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.488 -1.233 . . . . 0.0 111.411 179.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 102' ' ' LEU . . . . . 0.415 ' CD1' HD21 ' A' ' 25' ' ' LEU . 0.4 OUTLIER -118.01 35.97 4.52 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.543 -0.753 . . . . 0.0 112.598 -177.739 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 103' ' ' THR . . . . . 0.448 HG21 ' O ' ' B' ' 99' ' ' ILE . 38.0 p -152.69 -32.94 0.13 Allowed 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.87 -0.332 . . . . 0.0 111.62 179.636 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 7.9 t70 73.87 25.38 1.94 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.051 0.453 . . . . 0.0 110.652 -179.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 105' ' ' SER . . . . . 0.445 ' HB3' ' CZ ' ' A' ' 21' ' ' TYR . 29.5 m -60.37 -17.2 41.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.165 179.727 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 106' ' ' SER . . . . . 0.413 ' CB ' ' O ' ' B' ' 105' ' ' SER . 4.2 t 80.6 122.85 0.05 OUTLIER 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 120.912 0.387 . . . . 0.0 110.777 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -52.75 -26.3 13.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.035 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.18 -54.6 44.96 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.175 0.512 . . . . 0.0 110.081 179.496 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -62.43 -41.75 98.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.868 179.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 110' ' ' LEU . . . . . 0.503 ' CD1' ' HB2' ' B' ' 100' ' ' HIS . 70.0 mt -59.97 -36.72 77.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.039 179.063 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 111' ' ' ASP . . . . . 0.432 ' HA ' ' HD1' ' B' ' 114' ' ' HIS . 6.7 m-20 -61.88 -48.87 78.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.874 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -58.89 -36.97 75.56 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.78 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 113' ' ' LEU . . . . . 0.434 HD22 ' O ' ' A' ' 14' ' ' ALA . 0.5 OUTLIER -76.62 -32.77 58.26 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.253 -179.713 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 114' ' ' HIS . . . . . 0.564 ' HA ' HD22 ' B' ' 93' ' ' LEU . 0.0 OUTLIER -61.73 -35.04 76.91 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 178.378 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 115' ' ' SER . . . . . 0.466 ' N ' ' CD2' ' B' ' 114' ' ' HIS . 1.0 OUTLIER -74.02 -36.77 64.48 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 178.096 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 116' ' ' VAL . . . . . 0.432 HG12 ' CE1' ' B' ' 117' ' ' PHE . 69.3 t -63.44 -23.19 32.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.708 178.346 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 117' ' ' PHE . . . . . 0.456 ' HB3' ' CG1' ' B' ' 89' ' ' VAL . 4.0 m-30 -107.39 -14.89 14.76 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.605 -179.626 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 118' ' ' GLN . . . . . 0.407 ' HB2' ' O ' ' B' ' 114' ' ' HIS . 0.0 OUTLIER -81.61 -31.88 32.26 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.676 0.274 . . . . 0.0 111.596 -179.453 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -41.56 133.76 2.54 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.959 -179.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -72.04 -47.06 54.46 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.649 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 121' ' ' HIS . . . . . 0.419 ' CE1' ' HG2' ' A' ' 56' ' ' GLN . 1.8 t-80 -55.78 -33.68 64.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.223 179.383 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . 0.437 ' CD2' ' HA ' ' B' ' 117' ' ' PHE . 50.1 tp -55.59 -47.81 75.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.898 179.508 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 123' ' ' HIS . . . . . 0.676 ' HA ' ' CD1' ' B' ' 126' ' ' LEU . 50.5 m-70 -52.74 -27.9 19.8 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.041 178.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 5.0 m -76.52 -32.85 58.51 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.95 179.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . 0.429 ' CD1' ' HA ' ' B' ' 122' ' ' LEU . 20.1 mt -66.64 -41.59 88.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.179 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . 0.676 ' CD1' ' HA ' ' B' ' 123' ' ' HIS . 0.3 OUTLIER -72.98 -41.72 64.05 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.755 0.312 . . . . 0.0 111.021 -179.851 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.11 -46.3 90.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.222 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . 0.452 ' CD2' ' CD2' ' C' ' 59' ' ' TYR . 9.1 mt -77.08 -32.34 56.67 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.694 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 129' ' ' TYR . . . . . 0.525 ' HA ' ' CD1' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -56.49 -53.13 61.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.932 -179.501 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 130' ' ' ASP . . . . . 0.509 ' HB2' HD23 ' B' ' 82' ' ' LEU . 17.6 m-20 -77.21 -34.96 56.04 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.301 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -56.71 -45.76 81.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.914 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 5.4 mt -76.89 -39.12 29.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.876 0.37 . . . . 0.0 110.713 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 133' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -60.38 -28.44 68.21 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.911 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 89.5 m -87.27 -49.31 7.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.174 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.65 -35.16 75.52 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.985 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 84.2 p . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.801 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 7' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.23 -40.18 93.07 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 121.205 0.526 . . . . 0.0 109.794 179.039 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 53.8 mm-40 -73.93 -32.29 63.45 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.987 179.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -75.61 -29.49 59.24 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.114 179.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 11' ' ' THR . . . . . 0.443 HG22 ' CD2' ' C' ' 44' ' ' PHE . 63.0 m -69.82 -49.58 51.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.71 179.724 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 12' ' ' GLN . . . . . 0.404 ' O ' ' CG ' ' C' ' 16' ' ' HIS . 0.8 OUTLIER -66.71 -37.08 83.97 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.909 -0.317 . . . . 0.0 110.365 179.877 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 9.1 ttt85 -73.86 -24.68 59.78 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.118 179.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 14' ' ' ALA . . . . . 0.46 ' O ' HD21 ' D' ' 113' ' ' LEU . . . -78.7 -55.12 5.42 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 116.086 -0.507 . . . . 0.0 109.749 178.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 15' ' ' LEU . . . . . 0.609 ' HB3' ' CD2' ' C' ' 44' ' ' PHE . 0.4 OUTLIER -63.6 -24.74 67.92 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.955 179.256 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 16' ' ' HIS . . . . . 0.404 ' CG ' ' O ' ' C' ' 12' ' ' GLN . 9.3 m170 -73.23 -48.79 32.05 Favored 'General case' 0 CA--C 1.518 -0.251 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 178.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . 0.43 HD21 ' CZ ' ' C' ' 21' ' ' TYR . 2.1 mt -60.2 -37.96 81.85 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.419 -0.809 . . . . 0.0 109.383 178.657 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . 0.464 ' HB3' HG21 ' C' ' 37' ' ' ILE . 11.8 mt -65.86 -41.0 92.22 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.315 179.389 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -57.89 -39.49 77.98 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.75 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -73.7 -37.03 65.31 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.147 179.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 21' ' ' TYR . . . . . 0.43 ' CZ ' HD21 ' C' ' 17' ' ' LEU . 22.9 m-85 -65.14 -46.62 80.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.835 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 22' ' ' ARG . . . . . 0.453 ' HB2' ' CG ' ' C' ' 34' ' ' ARG . 1.0 OUTLIER -59.38 -49.36 78.1 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.782 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 23' ' ' SER . . . . . 0.43 ' N ' ' HG3' ' C' ' 22' ' ' ARG . 0.3 OUTLIER -58.19 -32.85 68.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.26 179.893 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 24' ' ' LYS . . . . . . . . . . . . . 7.0 ptmt -101.65 5.13 41.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.426 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 25' ' ' LEU . . . . . 0.497 HD12 HD11 ' C' ' 37' ' ' ILE . 3.8 mt -92.77 -62.91 1.29 Allowed 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -179.291 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 26' ' ' SER . . . . . 0.674 ' HB2' ' HD2' ' C' ' 31' ' ' ARG . 52.6 p -57.76 -18.38 21.2 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.142 -0.481 . . . . 0.0 112.044 -178.781 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 27' ' ' GLN . . . . . 0.5 ' OE1' ' OG ' ' C' ' 26' ' ' SER . 1.1 mm100 -78.76 50.08 0.96 Allowed 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.536 -179.119 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 28' ' ' THR . . . . . 0.484 ' CG2' ' N ' ' C' ' 29' ' ' GLU . 0.7 OUTLIER -177.28 -54.47 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.627 0.251 . . . . 0.0 111.326 179.249 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 29' ' ' GLU . . . . . 0.484 ' N ' ' CG2' ' C' ' 28' ' ' THR . 6.3 pt-20 179.15 27.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.329 -179.743 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -126.11 36.19 4.55 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.79 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . 0.674 ' HD2' ' HB2' ' C' ' 26' ' ' SER . 25.3 mmm180 -55.08 -51.55 66.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.265 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 21.8 tp60 -61.67 -47.3 85.97 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.864 178.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 33' ' ' LEU . . . . . 0.402 HD13 ' CB ' ' D' ' 95' ' ' SER . 12.2 tp -56.05 -37.05 68.73 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.464 179.208 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 34' ' ' ARG . . . . . 0.588 ' HB2' ' HB3' ' C' ' 26' ' ' SER . 16.5 ttt180 -60.91 -40.23 92.35 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 178.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 5.2 m -58.25 -40.15 81.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.228 178.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 36' ' ' SER . . . . . 0.457 ' O ' ' CG ' ' C' ' 39' ' ' ARG . 36.8 p -66.24 -48.76 69.48 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.221 0.534 . . . . 0.0 110.283 179.367 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 37' ' ' ILE . . . . . 0.547 ' O ' HG12 ' C' ' 41' ' ' ILE . 7.2 mt -58.82 -36.97 63.76 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.88 179.235 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -59.77 -52.68 64.43 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.062 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 39' ' ' ARG . . . . . 0.612 ' HG3' ' HB1' ' D' ' 88' ' ' ALA . 3.6 ptp85 -56.4 -31.9 64.32 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 179.399 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . 0.537 ' O ' ' HB2' ' C' ' 44' ' ' PHE . 17.9 t -70.45 -35.6 62.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.991 178.27 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 41' ' ' ILE . . . . . 0.547 HG12 ' O ' ' C' ' 37' ' ' ILE . 9.8 mm -69.04 -55.53 15.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.615 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 17.7 p -61.43 -48.35 81.59 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 120.931 0.396 . . . . 0.0 110.83 -179.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 43' ' ' ILE . . . . . 0.435 ' O ' ' CG ' ' C' ' 49' ' ' PHE . 17.3 mt -59.76 -33.1 51.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.239 179.417 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 44' ' ' PHE . . . . . 0.609 ' CD2' ' HB3' ' C' ' 15' ' ' LEU . 1.8 m-85 -72.46 -57.66 4.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.699 179.451 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 45' ' ' GLN . . . . . 0.415 ' NE2' HG23 ' C' ' 41' ' ' ILE . 5.0 pt20 -78.05 -2.93 39.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.772 -178.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 46' ' ' SER . . . . . 0.486 ' CB ' ' CE1' ' D' ' 129' ' ' TYR . 1.2 m -47.89 127.58 12.2 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.799 0.333 . . . . 0.0 110.813 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -47.82 -34.35 8.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.239 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . 0.447 ' HG ' ' HA ' ' D' ' 129' ' ' TYR . 1.7 tp -79.89 -43.69 21.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.092 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 49' ' ' PHE . . . . . 0.435 ' CG ' ' O ' ' C' ' 43' ' ' ILE . 50.6 t80 -51.16 -56.29 13.52 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.588 0.232 . . . . 0.0 111.246 -179.669 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -55.97 -34.74 66.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.955 0.407 . . . . 0.0 110.472 179.645 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.15 -47.84 83.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.551 179.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 52' ' ' LEU . . . . . 0.407 ' CD1' ' N ' ' D' ' 129' ' ' TYR . 1.2 mt -59.67 -44.28 93.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.429 179.536 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 37.3 mt -52.66 -43.15 43.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.69 179.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.52 -33.87 75.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.312 179.463 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 55' ' ' ILE . . . . . 0.469 HD11 HG23 ' C' ' 55' ' ' ILE . 73.1 mt -66.63 -43.49 90.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.809 179.611 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.04 -22.8 6.36 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.692 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 57' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -49.61 -32.51 13.02 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.58 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 58' ' ' PHE . . . . . 0.434 ' HA ' ' HG ' ' A' ' 64' ' ' LEU . 96.9 m-85 -155.05 25.08 0.43 Allowed 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.033 0.382 . . . . 0.0 112.033 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 59' ' ' TYR . . . . . 0.462 ' CE2' ' CD1' ' A' ' 63' ' ' LEU . 14.1 m-85 -132.21 70.96 1.46 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.316 -0.402 . . . . 0.0 109.967 179.254 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 60' ' ' GLU . . . . . 0.442 ' HB2' ' HB ' ' A' ' 62' ' ' THR . 1.7 mt-10 -59.17 96.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.083 -179.203 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 61' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -72.76 96.73 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.951 0.405 . . . . 0.0 110.593 179.62 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 62' ' ' THR . . . . . . . . . . . . . 17.8 m -84.64 117.35 23.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.909 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 63' ' ' LEU . . . . . 0.423 HD12 ' CE2' ' A' ' 59' ' ' TYR . 0.1 OUTLIER -90.82 130.69 36.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.413 179.618 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 64' ' ' LEU . . . . . 0.467 ' CD2' ' N ' ' C' ' 64' ' ' LEU . 0.1 OUTLIER -115.46 -23.41 8.84 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.554 -179.609 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 65' ' ' ASP . . . . . 0.466 ' HB2' ' CB ' ' A' ' 58' ' ' PHE . 0.4 OUTLIER -86.84 -32.11 20.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.896 0.379 . . . . 0.0 110.776 179.845 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 66' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 121.343 0.592 . . . . 0.0 110.576 -179.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.746 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 82' ' ' LEU . . . . . 0.603 ' CD2' ' N ' ' D' ' 82' ' ' LEU . 0.3 OUTLIER -75.55 -33.43 60.65 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 121.076 0.465 . . . . 0.0 110.222 179.441 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' D' D ' 83' ' ' LEU . . . . . 0.705 ' O ' ' HB3' ' D' ' 87' ' ' ARG . 0.2 OUTLIER -60.02 -50.4 73.89 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.65 -179.604 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' D' D ' 84' ' ' ALA . . . . . 0.704 ' O ' ' HB2' ' D' ' 88' ' ' ALA . . . -73.83 -22.41 59.79 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.171 -179.429 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 85' ' ' ALA . . . . . 0.484 ' O ' ' CD1' ' D' ' 126' ' ' LEU . . . -52.05 -26.63 11.35 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 179.105 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 86' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -125.41 -39.61 2.17 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.009 178.629 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 87' ' ' ARG . . . . . 0.705 ' HB3' ' O ' ' D' ' 83' ' ' LEU . 9.4 ttt-85 -64.52 -38.65 91.77 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.767 179.355 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 88' ' ' ALA . . . . . 0.704 ' HB2' ' O ' ' D' ' 84' ' ' ALA . . . -69.89 -46.52 65.29 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.139 -179.614 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 89' ' ' VAL . . . . . 0.501 ' CG1' ' HB3' ' D' ' 117' ' ' PHE . 21.2 t -74.8 -31.93 27.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.099 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 90' ' ' SER . . . . . 0.46 ' HA ' ' HB2' ' D' ' 93' ' ' LEU . 72.2 m -76.12 -43.82 41.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.106 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 91' ' ' GLN . . . . . 0.411 ' NE2' ' HA ' ' D' ' 88' ' ' ALA . 7.6 pt20 -62.18 -49.38 76.04 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-O 121.309 0.576 . . . . 0.0 109.618 179.695 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 92' ' ' VAL . . . . . 0.416 HG23 HG22 ' C' ' 40' ' ' VAL . 75.8 t -66.05 -27.75 41.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.274 177.727 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 93' ' ' LEU . . . . . 0.554 ' CD2' ' HA ' ' D' ' 114' ' ' HIS . 1.1 mt -58.24 -41.93 85.24 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.818 179.072 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -80.52 -27.06 37.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.099 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 95' ' ' SER . . . . . 0.402 ' CB ' HD13 ' C' ' 33' ' ' LEU . 5.8 m -79.1 -20.13 49.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.814 -179.564 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 96' ' ' LEU . . . . . 0.532 ' O ' ' HB ' ' D' ' 99' ' ' ILE . 0.2 OUTLIER -43.96 -52.38 7.0 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.009 0.433 . . . . 0.0 112.145 -179.421 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -67.47 -27.62 67.18 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.96 -36.79 75.5 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.601 -1.259 . . . . 0.0 107.601 177.696 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 99' ' ' ILE . . . . . 0.532 ' HB ' ' O ' ' D' ' 96' ' ' LEU . 82.1 mt -58.31 -45.98 89.15 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.704 0 CA-C-N 114.456 -1.247 . . . . 0.0 109.593 178.015 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 100' ' ' HIS . . . . . 0.632 ' HB2' ' CD1' ' D' ' 110' ' ' LEU . 5.4 t-160 -55.05 -43.24 73.62 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 178.25 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 101' ' ' ALA . . . . . . . . . . . . . . . -50.46 -43.19 55.12 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 113.793 -1.549 . . . . 0.0 112.257 179.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 102' ' ' LEU . . . . . 0.47 ' CD1' ' CD2' ' C' ' 25' ' ' LEU . 0.3 OUTLIER -118.49 28.97 8.01 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 113.029 0.751 . . . . 0.0 113.029 -177.499 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' D' D ' 103' ' ' THR . . . . . 0.429 HG22 HD12 ' D' ' 102' ' ' LEU . 25.3 p -152.82 -9.93 0.17 Allowed 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 113.094 0.776 . . . . 0.0 113.094 179.726 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 2.5 p30 46.12 27.95 0.59 Allowed 'General case' 0 CA--C 1.529 0.146 0 CA-C-O 120.826 0.346 . . . . 0.0 110.934 -179.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 105' ' ' SER . . . . . 0.415 ' OG ' ' CE1' ' C' ' 21' ' ' TYR . 7.0 t -48.41 -82.02 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.093 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 106' ' ' SER . . . . . . . . . . . . . 9.6 t 169.35 109.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.382 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -49.29 -36.81 21.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.759 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.45 -47.94 79.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 109.968 179.339 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 109' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -63.09 -36.09 82.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.676 178.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 110' ' ' LEU . . . . . 0.632 ' CD1' ' HB2' ' D' ' 100' ' ' HIS . 17.5 mt -61.27 -52.76 63.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.069 179.132 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 111' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -53.77 -40.66 66.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.877 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 112' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -59.04 -45.78 89.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.635 179.79 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 113' ' ' LEU . . . . . 0.46 HD21 ' O ' ' C' ' 14' ' ' ALA . 0.5 OUTLIER -70.51 -29.01 65.4 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.125 -179.647 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' D' D ' 114' ' ' HIS . . . . . 0.554 ' HA ' ' CD2' ' D' ' 93' ' ' LEU . 48.8 m80 -62.75 -38.26 89.85 Favored 'General case' 0 CA--C 1.516 -0.332 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 178.338 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 115' ' ' SER . . . . . . . . . . . . . 71.0 m -71.8 -37.8 70.36 Favored 'General case' 0 CA--C 1.517 -0.322 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 178.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 116' ' ' VAL . . . . . 0.414 ' O ' ' CD2' ' D' ' 122' ' ' LEU . 44.6 t -61.53 -23.35 30.46 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.627 178.296 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 117' ' ' PHE . . . . . 0.501 ' HB3' ' CG1' ' D' ' 89' ' ' VAL . 9.4 m-30 -105.09 -23.57 12.91 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.47 -179.709 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 118' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' D' ' 114' ' ' HIS . 0.0 OUTLIER -71.16 -30.48 66.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.857 0.36 . . . . 0.0 111.47 -179.399 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -42.68 133.57 3.43 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.86 -179.322 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 120' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -76.7 -49.49 15.95 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.561 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 121' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -55.94 -34.0 65.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.298 179.548 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 122' ' ' LEU . . . . . 0.419 ' HA ' ' CD1' ' D' ' 125' ' ' LEU . 29.8 tp -55.88 -46.51 78.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.031 179.467 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 123' ' ' HIS . . . . . 0.609 ' HA ' ' CD1' ' D' ' 126' ' ' LEU . 48.8 m170 -53.86 -26.67 25.74 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.143 0.497 . . . . 0.0 109.82 178.729 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 124' ' ' THR . . . . . . . . . . . . . 2.6 m -76.4 -33.88 58.86 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.41 178.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 125' ' ' LEU . . . . . 0.419 ' CD1' ' HA ' ' D' ' 122' ' ' LEU . 13.2 mt -70.24 -40.88 74.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.509 179.382 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 126' ' ' LEU . . . . . 0.609 ' CD1' ' HA ' ' D' ' 123' ' ' HIS . 0.5 OUTLIER -69.12 -40.69 78.17 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.253 -179.679 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' D' D ' 127' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -64.31 -53.19 52.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.805 0.336 . . . . 0.0 111.095 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 128' ' ' LEU . . . . . 0.419 HD22 ' CD2' ' A' ' 59' ' ' TYR . 36.7 mt -62.06 -42.06 98.8 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.3 -179.722 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 129' ' ' TYR . . . . . 0.486 ' CE1' ' CB ' ' C' ' 46' ' ' SER . 0.1 OUTLIER -55.81 -51.43 67.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.933 0.397 . . . . 0.0 111.145 -179.257 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' D' D ' 130' ' ' ASP . . . . . 0.437 ' CB ' HD21 ' D' ' 82' ' ' LEU . 19.1 m-20 -75.76 -22.9 56.03 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.97 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.16 -51.98 57.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.914 0.388 . . . . 0.0 110.615 179.626 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 132' ' ' ILE . . . . . . . . . . . . . 2.1 mt -73.06 -35.97 49.54 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.781 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 133' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -65.43 -25.74 67.66 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.128 -179.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 134' ' ' THR . . . . . . . . . . . . . 96.6 m -80.07 -32.7 39.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.607 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 135' ' ' LYS . . . . . 0.421 ' HG3' ' N ' ' D' ' 136' ' ' SER . 6.0 tptt -68.29 -49.82 57.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.227 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 136' ' ' SER . . . . . 0.421 ' N ' ' HG3' ' D' ' 135' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.556 179.513 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.41 -40.34 96.21 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-O 121.206 0.526 . . . . 0.0 109.686 179.123 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -76.9 -29.74 55.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.091 178.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.47 -30.33 53.12 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.473 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.1 p -74.24 -44.34 53.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.517 179.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -67.95 -36.42 80.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.237 179.476 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.2 tpp180 -74.32 -25.31 59.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 109.932 179.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.483 ' O ' HD21 ' B' ' 113' ' ' LEU . . . -78.15 -54.44 6.25 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.73 178.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.52 ' CD2' ' HB3' ' A' ' 44' ' ' PHE . 0.4 OUTLIER -62.49 -26.05 68.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.635 179.262 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 28.9 t60 -73.08 -45.33 57.85 Favored 'General case' 0 CA--C 1.517 -0.293 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 178.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.451 ' CD2' ' CE1' ' A' ' 21' ' ' TYR . 2.7 mt -62.88 -36.11 82.22 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.116 178.504 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.433 ' HB3' ' CG2' ' A' ' 37' ' ' ILE . 50.9 mt -60.61 -43.97 96.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.048 -0.978 . . . . 0.0 110.393 179.334 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -60.39 -45.55 93.14 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.576 179.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -71.25 -31.65 67.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.927 179.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.565 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 5.8 m-30 -67.36 -46.74 72.47 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.461 179.652 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 28.8 ptt85 -62.79 -38.37 90.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.723 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 98.2 p -63.29 -38.69 92.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.922 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt -92.04 -18.32 23.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.553 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.565 ' HB2' ' O ' ' A' ' 21' ' ' TYR . 0.3 OUTLIER -77.94 -71.12 0.44 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.693 -179.774 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.469 ' HB2' ' HB2' ' A' ' 34' ' ' ARG . 14.6 t -62.87 -146.89 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.601 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 47.67 27.75 1.11 Allowed 'General case' 0 N--CA 1.452 -0.325 0 CA-C-O 121.037 0.446 . . . . 0.0 110.291 -179.471 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.443 ' CG2' ' N ' ' A' ' 29' ' ' GLU . 3.1 t -152.65 -49.21 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.573 -179.654 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.443 ' N ' ' CG2' ' A' ' 28' ' ' THR . 10.6 pt-20 -177.45 26.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.53 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.44 ' HB3' ' HB3' ' A' ' 33' ' ' LEU . 0.7 OUTLIER -144.01 60.19 1.36 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.059 0.457 . . . . 0.0 111.192 -179.657 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.8 mmm180 -68.08 -53.24 26.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.369 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.28 -49.7 76.82 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.777 179.092 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.464 HD23 ' HB3' ' B' ' 95' ' ' SER . 8.7 tp -51.58 -36.24 44.64 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.007 178.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.469 ' HB2' ' HB2' ' A' ' 26' ' ' SER . 18.8 ttp180 -60.61 -46.43 90.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.455 178.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 10.3 p -54.72 -35.3 63.53 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.386 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.494 ' O ' ' HG2' ' A' ' 39' ' ' ARG . 0.6 OUTLIER -66.47 -50.13 64.33 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.124 0.487 . . . . 0.0 110.319 179.385 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.658 ' O ' HG12 ' A' ' 41' ' ' ILE . 28.2 mt -60.5 -37.69 75.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.727 178.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -64.54 -51.21 64.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 114.995 -1.002 . . . . 0.0 111.925 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.494 ' HG2' ' O ' ' A' ' 36' ' ' SER . 5.0 ptp85 -55.18 -38.3 68.17 Favored 'General case' 0 CA--C 1.52 -0.203 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.011 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.447 ' CG1' ' CD1' ' A' ' 44' ' ' PHE . 92.3 t -63.43 -40.99 91.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 178.17 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.658 HG12 ' O ' ' A' ' 37' ' ' ILE . 13.4 mm -55.38 -58.35 4.78 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.157 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.769 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.7 t -58.38 -47.7 83.0 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-O 120.964 0.412 . . . . 0.0 110.649 -179.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.433 ' CG2' ' CE2' ' B' ' 129' ' ' TYR . 16.0 mt -59.89 -34.25 55.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.219 179.289 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.52 ' HB3' ' CD2' ' A' ' 15' ' ' LEU . 1.1 m-85 -72.79 -56.47 5.19 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.681 -0.69 . . . . 0.0 112.21 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -80.17 -0.57 36.62 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -178.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.425 ' CB ' ' CE1' ' B' ' 129' ' ' TYR . 14.1 p -53.68 140.1 30.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.926 0.394 . . . . 0.0 110.799 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -56.71 -32.02 65.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.686 -179.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.0 tp -79.29 -46.82 16.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.685 -0.234 . . . . 0.0 111.509 -179.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.41 ' HA ' ' HB2' ' B' ' 129' ' ' TYR . 81.2 t80 -51.51 -50.67 59.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.781 0.324 . . . . 0.0 111.384 -179.36 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 21.7 mm-40 -56.99 -43.08 81.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.054 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.25 -40.76 82.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.944 0.402 . . . . 0.0 110.207 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.435 ' CD1' ' N ' ' B' ' 129' ' ' TYR . 2.7 mt -61.6 -43.57 98.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.698 178.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.413 ' O ' ' CG ' ' A' ' 56' ' ' GLN . 55.5 mt -55.97 -34.01 36.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.191 178.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.83 -34.18 69.1 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.443 179.292 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 69.6 mt -66.26 -46.78 86.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.467 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.413 ' CG ' ' O ' ' A' ' 53' ' ' ILE . 1.9 pt20 -53.09 -21.26 4.54 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.816 -179.322 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.403 ' O ' ' CG ' ' A' ' 58' ' ' PHE . 8.5 tt0 -47.19 -32.66 4.59 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.71 0.29 . . . . 0.0 111.083 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.443 ' CD1' ' HB2' ' C' ' 65' ' ' ASP . 95.5 m-85 -156.71 35.76 0.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.312 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.471 ' CE2' ' CD1' ' C' ' 63' ' ' LEU . 45.8 m-85 -142.34 70.16 1.33 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.381 179.601 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.46 ' HB2' ' HB ' ' C' ' 62' ' ' THR . 67.4 mt-10 -57.23 91.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.95 -179.659 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -72.88 106.11 2.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.127 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.2 m -89.3 122.22 32.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.482 179.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.438 HD13 ' CE2' ' C' ' 59' ' ' TYR . 0.1 OUTLIER -92.92 131.31 38.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.092 -179.897 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.47 ' CD2' ' N ' ' A' ' 64' ' ' LEU . 0.1 OUTLIER -115.59 -25.3 7.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.094 -179.818 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.446 ' HB2' ' CB ' ' C' ' 58' ' ' PHE . 0.4 OUTLIER -80.54 -14.29 58.36 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.306 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.611 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.623 0 N-CA-C 110.453 -1.059 . . . . 0.0 110.453 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . 0.651 ' CD2' ' N ' ' B' ' 82' ' ' LEU . 0.2 OUTLIER -87.44 -36.49 17.68 Favored 'General case' 0 CA--C 1.519 -0.246 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 178.65 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . 0.67 ' O ' ' HB3' ' B' ' 87' ' ' ARG . 0.4 OUTLIER -61.42 -44.53 96.97 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.142 -0.936 . . . . 0.0 110.723 -179.795 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . 0.765 ' O ' ' HB3' ' B' ' 88' ' ' ALA . . . -78.7 -19.37 52.58 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.786 -178.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 85' ' ' ALA . . . . . 0.463 ' HB3' ' HB3' ' B' ' 126' ' ' LEU . . . -52.32 -24.02 6.83 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.346 0.593 . . . . 0.0 109.836 179.082 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . 0.412 ' O ' ' CB ' ' B' ' 90' ' ' SER . 10.2 tt0 -127.41 -39.69 1.85 Allowed 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.828 178.69 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 87' ' ' ARG . . . . . 0.67 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 20.2 ttt85 -64.96 -39.96 94.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.619 179.377 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . 0.765 ' HB3' ' O ' ' B' ' 84' ' ' ALA . . . -69.94 -47.63 61.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.782 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 89' ' ' VAL . . . . . 0.472 ' CG1' ' HB3' ' B' ' 117' ' ' PHE . 37.8 t -70.29 -34.08 56.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.407 179.412 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 90' ' ' SER . . . . . 0.434 ' HA ' ' HB2' ' B' ' 93' ' ' LEU . 72.6 m -76.18 -25.01 54.79 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.352 179.19 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 91' ' ' GLN . . . . . 0.446 ' HB3' ' HB3' ' A' ' 36' ' ' SER . 9.5 mt-30 -67.73 -53.16 29.62 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 121.307 0.575 . . . . 0.0 109.462 179.323 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 92' ' ' VAL . . . . . 0.44 ' CG2' ' HA ' ' A' ' 37' ' ' ILE . 4.9 t -69.73 -27.77 34.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.168 -0.924 . . . . 0.0 109.968 179.116 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . 0.579 HD23 ' HA ' ' B' ' 114' ' ' HIS . 4.2 mt -68.76 -35.13 76.7 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.354 179.722 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -83.52 -37.64 22.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.919 0.39 . . . . 0.0 110.964 -179.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 95' ' ' SER . . . . . 0.464 ' HB3' HD23 ' A' ' 33' ' ' LEU . 0.5 OUTLIER -79.66 -20.34 46.88 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.712 -179.623 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . 0.53 ' O ' ' HB ' ' B' ' 99' ' ' ILE . 0.1 OUTLIER -36.88 -49.11 0.79 Allowed 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 112.529 0.566 . . . . 0.0 112.529 -179.484 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -69.29 -32.13 71.09 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.226 -179.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' B' ' 95' ' ' SER . 0.0 OUTLIER -68.93 -35.81 77.25 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 177.68 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 99' ' ' ILE . . . . . 0.53 ' HB ' ' O ' ' B' ' 96' ' ' LEU . 8.4 mt -57.9 -48.37 84.09 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.645 0 CA-C-N 114.291 -1.322 . . . . 0.0 109.885 178.239 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . 0.563 ' HB2' ' CD1' ' B' ' 110' ' ' LEU . 15.8 t-160 -55.98 -39.91 72.51 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-O 121.971 0.891 . . . . 0.0 108.692 178.359 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -52.45 -41.62 63.46 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 113.884 -1.507 . . . . 0.0 111.819 179.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 102' ' ' LEU . . . . . 0.424 ' CD1' HD23 ' A' ' 25' ' ' LEU . 0.4 OUTLIER -123.53 35.47 4.85 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -177.351 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 103' ' ' THR . . . . . 0.419 HG21 ' O ' ' B' ' 99' ' ' ILE . 39.7 p -150.69 -38.97 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.685 -0.406 . . . . 0.0 111.856 179.6 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 74.89 29.95 0.98 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.987 0.422 . . . . 0.0 110.14 -178.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 105' ' ' SER . . . . . 0.422 ' HB3' ' CZ ' ' A' ' 21' ' ' TYR . 3.1 m -64.59 -8.5 14.39 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.75 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 75.57 118.96 0.05 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.846 0.355 . . . . 0.0 110.554 -179.685 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . 0.427 ' HA ' HD13 ' B' ' 110' ' ' LEU . 0.4 OUTLIER -50.64 -27.02 6.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.182 -179.78 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.3 -51.71 68.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.131 0.491 . . . . 0.0 110.212 179.472 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -65.49 -39.84 92.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.878 179.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 110' ' ' LEU . . . . . 0.563 ' CD1' ' HB2' ' B' ' 100' ' ' HIS . 52.2 mt -61.31 -36.46 80.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.124 179.188 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 111' ' ' ASP . . . . . 0.427 ' O ' ' ND1' ' B' ' 114' ' ' HIS . 0.7 OUTLIER -66.32 -43.03 87.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.665 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -60.81 -37.2 81.15 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.461 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 113' ' ' LEU . . . . . 0.483 HD21 ' O ' ' A' ' 14' ' ' ALA . 0.5 OUTLIER -78.45 -35.06 47.26 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.862 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 114' ' ' HIS . . . . . 0.579 ' HA ' HD23 ' B' ' 93' ' ' LEU . 0.0 OUTLIER -61.65 -29.03 69.8 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 178.708 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 1.9 m -79.32 -39.09 33.66 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 177.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 116' ' ' VAL . . . . . 0.457 ' O ' ' CD2' ' B' ' 122' ' ' LEU . 25.2 t -61.04 -24.02 31.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.669 178.27 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 117' ' ' PHE . . . . . 0.472 ' HB3' ' CG1' ' B' ' 89' ' ' VAL . 22.4 m-85 -99.86 -31.8 11.32 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.432 -179.482 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 118' ' ' GLN . . . . . 0.472 ' OE1' ' CD2' ' B' ' 114' ' ' HIS . 0.0 OUTLIER -66.65 -27.54 67.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.785 0.326 . . . . 0.0 111.587 -179.378 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.16 126.94 6.53 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.463 -179.683 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 120' ' ' GLN . . . . . 0.437 ' O ' ' CD2' ' B' ' 123' ' ' HIS . 0.0 OUTLIER -68.44 -49.69 58.03 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.713 179.921 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 121' ' ' HIS . . . . . 0.4 ' O ' ' HB ' ' B' ' 124' ' ' THR . 4.2 m-70 -55.14 -33.31 62.81 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.399 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . 0.649 ' O ' HD11 ' B' ' 126' ' ' LEU . 26.6 tp -56.07 -50.56 70.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.718 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 123' ' ' HIS . . . . . 0.559 ' HA ' ' CD1' ' B' ' 126' ' ' LEU . 0.0 OUTLIER -52.43 -25.94 11.35 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.962 0.41 . . . . 0.0 110.169 179.597 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 124' ' ' THR . . . . . 0.422 HG23 HD13 ' A' ' 63' ' ' LEU . 9.2 m -76.79 -34.46 57.98 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.412 178.636 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . 0.46 ' O ' ' HB3' ' B' ' 129' ' ' TYR . 16.6 mt -65.65 -40.16 92.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.338 179.078 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . 0.649 HD11 ' O ' ' B' ' 122' ' ' LEU . 1.4 mp -68.4 -50.82 50.15 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.288 -179.604 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 127' ' ' ASP . . . . . 0.417 ' O ' ' OD1' ' B' ' 130' ' ' ASP . 72.5 m-20 -59.53 -48.74 80.47 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.97 0.414 . . . . 0.0 110.826 179.775 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . 0.425 HD23 ' CE2' ' C' ' 59' ' ' TYR . 96.2 mt -60.96 -40.38 93.12 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.952 0.405 . . . . 0.0 110.454 179.687 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 129' ' ' TYR . . . . . 0.46 ' HB3' ' O ' ' B' ' 125' ' ' LEU . 0.2 OUTLIER -65.73 -50.58 64.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.209 -179.66 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 130' ' ' ASP . . . . . 0.558 ' CG ' HD21 ' B' ' 82' ' ' LEU . 4.2 p30 -75.23 -19.92 59.5 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.326 -179.687 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.11 -46.65 33.11 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.699 0.285 . . . . 0.0 111.077 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 132' ' ' ILE . . . . . 0.409 ' CD1' ' O ' ' B' ' 128' ' ' LEU . 4.2 mt -74.58 -35.71 38.88 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 CA-C-O 120.899 0.38 . . . . 0.0 110.791 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 133' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -65.02 -26.49 68.3 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.313 -179.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 83.3 m -90.38 -27.5 19.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.106 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.67 -62.73 1.66 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.216 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 84.2 p . . . . . 0 C--N 1.324 -0.508 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.206 -179.704 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.123 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 39.0 mttt -66.23 -38.65 88.42 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 121.283 0.563 . . . . 0.0 109.703 178.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -75.45 -31.58 60.36 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.985 179.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -80.36 -29.81 37.93 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.645 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 11' ' ' THR . . . . . 0.421 ' HA ' ' HE2' ' C' ' 44' ' ' PHE . 21.6 p -77.45 -38.59 49.05 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.594 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -72.87 -37.27 67.4 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 179.34 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 -72.8 -28.2 62.43 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.849 178.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 14' ' ' ALA . . . . . 0.497 ' O ' HD23 ' D' ' 113' ' ' LEU . . . -78.49 -55.54 5.14 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 178.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 15' ' ' LEU . . . . . 0.54 ' HB3' ' CD2' ' C' ' 44' ' ' PHE . 0.3 OUTLIER -60.74 -24.47 65.74 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.493 178.931 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 16' ' ' HIS . . . . . 0.424 ' HA ' ' HG2' ' C' ' 19' ' ' GLU . 39.9 t60 -73.27 -47.53 42.24 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 178.56 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . 0.425 HD22 ' CZ ' ' C' ' 21' ' ' TYR . 1.6 mt -63.54 -37.64 88.09 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.518 178.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . 0.449 ' HB3' HG21 ' C' ' 37' ' ' ILE . 20.7 mt -62.91 -49.93 72.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.096 -0.956 . . . . 0.0 111.077 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . 0.424 ' HG2' ' HA ' ' C' ' 16' ' ' HIS . 4.6 pt-20 -60.23 -31.77 70.5 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.865 0.364 . . . . 0.0 110.649 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 20' ' ' GLU . . . . . 0.4 ' N ' ' HG3' ' C' ' 19' ' ' GLU . 0.5 OUTLIER -75.66 -35.36 60.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.954 179.368 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 21' ' ' TYR . . . . . 0.522 ' O ' ' HB2' ' C' ' 25' ' ' LEU . 19.1 m-85 -70.05 -47.29 62.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.574 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 22' ' ' ARG . . . . . 0.459 ' HA ' ' HB2' ' C' ' 25' ' ' LEU . 30.7 ptt85 -57.99 -47.33 83.32 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.559 179.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 23' ' ' SER . . . . . 0.427 ' N ' ' HG3' ' C' ' 22' ' ' ARG . 2.4 p -57.36 -40.86 78.97 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.701 179.589 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 24' ' ' LYS . . . . . . . . . . . . . 8.6 ptmt -93.34 4.68 53.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.965 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 25' ' ' LEU . . . . . 0.631 ' O ' HG22 ' C' ' 28' ' ' THR . 0.7 OUTLIER -92.34 -74.26 0.52 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.946 -179.109 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 26' ' ' SER . . . . . 0.646 ' HB2' ' HD2' ' C' ' 31' ' ' ARG . 52.5 p -44.13 -28.26 0.48 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -178.35 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 27' ' ' GLN . . . . . 0.451 ' OE1' ' OG ' ' C' ' 26' ' ' SER . 0.4 OUTLIER -70.9 55.49 0.18 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.833 0.349 . . . . 0.0 111.828 -178.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 28' ' ' THR . . . . . 0.631 HG22 ' O ' ' C' ' 25' ' ' LEU . 8.8 t -178.62 -60.28 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.741 179.427 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 29' ' ' GLU . . . . . 0.506 ' H ' ' CG2' ' C' ' 28' ' ' THR . 16.8 pt-20 -176.89 28.84 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.598 -179.186 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -134.83 44.81 2.6 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.955 0.407 . . . . 0.0 110.852 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . 0.646 ' HD2' ' HB2' ' C' ' 26' ' ' SER . 18.6 mmm180 -62.06 -47.24 85.57 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.389 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -40.31 89.69 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.311 0.577 . . . . 0.0 109.7 178.44 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 33' ' ' LEU . . . . . 0.409 ' HG ' ' CD1' ' C' ' 25' ' ' LEU . 4.1 tp -59.87 -34.57 73.32 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.286 179.043 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 34' ' ' ARG . . . . . 0.594 ' HB2' ' HB3' ' C' ' 26' ' ' SER . 0.4 OUTLIER -61.11 -44.67 97.0 Favored 'General case' 0 CA--C 1.516 -0.346 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 178.721 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.64 -41.66 73.88 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.538 178.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 36' ' ' SER . . . . . 0.452 ' HB3' ' NE2' ' D' ' 91' ' ' GLN . 0.0 OUTLIER -63.45 -51.52 65.32 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.132 0.492 . . . . 0.0 110.164 179.379 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 37' ' ' ILE . . . . . 0.566 ' O ' HG12 ' C' ' 41' ' ' ILE . 9.8 mt -57.88 -39.42 71.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.872 178.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.45 -46.02 73.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.083 -0.962 . . . . 0.0 110.547 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 39' ' ' ARG . . . . . 0.482 ' CB ' ' HB2' ' D' ' 88' ' ' ALA . 54.9 mtt180 -56.02 -49.68 73.02 Favored 'General case' 0 CA--C 1.514 -0.419 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 178.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . 0.607 ' O ' ' HB2' ' C' ' 44' ' ' PHE . 46.7 t -60.46 -32.82 52.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.693 179.664 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 41' ' ' ILE . . . . . 0.566 HG12 ' O ' ' C' ' 37' ' ' ILE . 5.1 mm -70.25 -53.14 24.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 C-N-CA 121.016 -0.273 . . . . 0.0 111.562 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 11.3 t -64.53 -48.31 75.55 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-O 120.778 0.323 . . . . 0.0 111.049 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 43' ' ' ILE . . . . . 0.425 ' O ' ' CG ' ' C' ' 49' ' ' PHE . 8.5 mt -59.3 -34.6 54.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.28 179.623 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 44' ' ' PHE . . . . . 0.607 ' HB2' ' O ' ' C' ' 40' ' ' VAL . 2.2 m-85 -72.71 -56.81 4.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.393 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 45' ' ' GLN . . . . . 0.435 ' NE2' HG21 ' C' ' 41' ' ' ILE . 3.2 pt20 -80.1 -9.18 59.69 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -177.563 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 46' ' ' SER . . . . . 0.455 ' OG ' ' HB2' ' C' ' 49' ' ' PHE . 21.9 p -46.99 144.98 2.25 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.868 0.366 . . . . 0.0 111.079 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.55 -40.04 81.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.912 -179.268 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . 0.458 HD23 ' HB ' ' D' ' 132' ' ' ILE . 2.0 tp -72.62 -48.22 41.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.572 -0.286 . . . . 0.0 111.447 -179.261 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 49' ' ' PHE . . . . . 0.592 ' HA ' HD23 ' C' ' 52' ' ' LEU . 43.0 t80 -51.83 -56.76 12.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.803 0.335 . . . . 0.0 111.285 -179.366 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -57.21 -38.09 73.19 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.111 0.482 . . . . 0.0 110.59 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.83 -46.53 90.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.554 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 52' ' ' LEU . . . . . 0.592 HD23 ' HA ' ' C' ' 49' ' ' PHE . 0.1 OUTLIER -68.09 -32.61 73.05 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 120.606 -0.437 . . . . 0.0 110.513 -179.706 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 53' ' ' ILE . . . . . 0.473 HG22 HD12 ' C' ' 53' ' ' ILE . 49.5 mt -58.86 -39.8 78.42 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 178.232 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -63.06 -40.6 98.18 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.261 178.219 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 55' ' ' ILE . . . . . 0.462 ' HB ' ' O ' ' C' ' 52' ' ' LEU . 96.7 mt -54.54 -47.06 72.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.497 178.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 56' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -50.92 -24.24 3.46 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.789 -0.642 . . . . 0.0 111.59 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 57' ' ' GLU . . . . . 0.414 ' O ' ' CD2' ' C' ' 58' ' ' PHE . 59.4 mt-10 -45.88 -30.1 1.61 Allowed 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.853 0.359 . . . . 0.0 111.013 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 58' ' ' PHE . . . . . 0.446 ' CB ' ' HB2' ' A' ' 65' ' ' ASP . 62.9 m-85 -156.9 27.4 0.32 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.086 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 59' ' ' TYR . . . . . 0.438 ' CE2' HD13 ' A' ' 63' ' ' LEU . 17.4 m-85 -134.22 74.84 1.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.644 179.718 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -59.4 102.08 0.13 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.944 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 61' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -81.62 96.71 3.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.93 0.395 . . . . 0.0 110.865 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 62' ' ' THR . . . . . 0.46 ' HB ' ' HB2' ' A' ' 60' ' ' GLU . 2.7 m -81.24 114.07 19.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.214 179.537 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 63' ' ' LEU . . . . . 0.471 ' CD1' ' CE2' ' A' ' 59' ' ' TYR . 0.2 OUTLIER -88.45 132.69 34.37 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.333 -179.587 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 64' ' ' LEU . . . . . 0.533 ' CD2' ' N ' ' C' ' 64' ' ' LEU . 0.1 OUTLIER -113.73 -22.77 10.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.721 179.631 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 65' ' ' ASP . . . . . 0.443 ' HB2' ' CD1' ' A' ' 58' ' ' PHE . 0.3 OUTLIER -167.92 -86.84 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.78 179.698 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 66' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 . . . . . 0 C--N 1.33 -0.241 0 CA-C-O 120.684 0.278 . . . . 0.0 111.051 179.728 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.68 0 N-CA-C 110.622 -0.991 . . . . 0.0 110.622 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 82' ' ' LEU . . . . . 0.603 ' CD2' ' N ' ' D' ' 82' ' ' LEU . 0.3 OUTLIER -74.61 -31.3 61.98 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.113 0.482 . . . . 0.0 109.941 179.134 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' D' D ' 83' ' ' LEU . . . . . 0.774 ' O ' ' HB3' ' D' ' 87' ' ' ARG . 0.2 OUTLIER -55.05 -50.68 68.49 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.156 -179.229 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' D' D ' 84' ' ' ALA . . . . . 0.59 ' H ' ' CD2' ' D' ' 83' ' ' LEU . . . -72.03 -26.48 62.22 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.304 -179.27 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 85' ' ' ALA . . . . . 0.462 ' CB ' ' CB ' ' D' ' 126' ' ' LEU . . . -52.84 -26.35 14.31 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.989 0.423 . . . . 0.0 110.41 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 86' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -123.3 -41.48 2.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.699 178.757 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 87' ' ' ARG . . . . . 0.774 ' HB3' ' O ' ' D' ' 83' ' ' LEU . 13.5 ttt180 -61.68 -52.54 63.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.996 178.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 88' ' ' ALA . . . . . 0.533 ' HB3' ' O ' ' D' ' 84' ' ' ALA . . . -58.63 -40.08 82.32 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.864 179.758 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 89' ' ' VAL . . . . . 0.492 ' CG1' ' HB3' ' D' ' 117' ' ' PHE . 59.7 t -65.61 -56.24 16.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.322 179.228 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.63 -22.88 64.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.897 179.471 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 91' ' ' GLN . . . . . 0.518 ' NE2' ' HA ' ' D' ' 88' ' ' ALA . 11.7 mt-30 -67.43 -57.25 6.91 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-O 121.276 0.56 . . . . 0.0 109.787 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 92' ' ' VAL . . . . . 0.455 HG22 ' HA ' ' C' ' 37' ' ' ILE . 8.2 t -69.49 -28.29 37.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.926 179.042 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 93' ' ' LEU . . . . . 0.513 HD23 ' HA ' ' D' ' 114' ' ' HIS . 3.7 mt -69.72 -26.99 64.6 Favored 'General case' 0 N--CA 1.457 -0.121 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.152 179.453 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.34 -45.46 10.56 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-O 120.881 0.372 . . . . 0.0 111.183 -179.663 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.7 -9.64 59.67 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.801 -179.5 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 96' ' ' LEU . . . . . 0.467 ' O ' ' HB ' ' D' ' 99' ' ' ILE . 0.1 OUTLIER -43.5 -52.12 6.31 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.065 0.459 . . . . 0.0 111.829 -179.575 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -68.19 -27.29 66.27 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.108 -179.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 98' ' ' GLU . . . . . 0.403 ' O ' ' CB ' ' D' ' 101' ' ' ALA . 0.1 OUTLIER -71.6 -35.77 70.61 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 178.143 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' D' D ' 99' ' ' ILE . . . . . 0.474 ' O ' ' OG1' ' D' ' 103' ' ' THR . 86.3 mt -59.55 -49.71 82.66 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.7 0 CA-C-N 114.677 -1.147 . . . . 0.0 109.605 178.329 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 100' ' ' HIS . . . . . 0.505 ' HB2' ' CD1' ' D' ' 110' ' ' LEU . 1.7 t-160 -57.79 -34.76 69.97 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 178.339 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 101' ' ' ALA . . . . . 0.403 ' CB ' ' O ' ' D' ' 98' ' ' GLU . . . -54.71 -43.09 72.27 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.569 -1.196 . . . . 0.0 111.665 179.334 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 102' ' ' LEU . . . . . 0.446 ' CD1' ' CD2' ' C' ' 25' ' ' LEU . 0.3 OUTLIER -118.49 22.18 12.21 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 -177.509 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' D' D ' 103' ' ' THR . . . . . 0.474 ' OG1' ' O ' ' D' ' 99' ' ' ILE . 36.6 p -143.09 -8.19 0.8 Allowed 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 112.509 0.559 . . . . 0.0 112.509 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 2.8 t0 55.3 22.26 4.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.833 0.349 . . . . 0.0 110.97 -179.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 105' ' ' SER . . . . . 0.435 ' HB3' ' CE1' ' C' ' 21' ' ' TYR . 12.1 p -57.51 -23.05 47.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.946 179.601 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 106' ' ' SER . . . . . . . . . . . . . 1.7 p 79.42 127.98 0.05 OUTLIER 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.003 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -54.72 -23.61 18.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.909 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.3 -55.17 38.41 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 121.021 0.439 . . . . 0.0 110.132 179.518 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 109' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -63.19 -38.56 91.66 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.828 179.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 110' ' ' LEU . . . . . 0.505 ' CD1' ' HB2' ' D' ' 100' ' ' HIS . 61.8 mt -64.42 -35.23 80.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.301 179.298 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 111' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -63.19 -48.83 76.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.692 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 112' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -59.03 -41.37 87.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.453 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 113' ' ' LEU . . . . . 0.497 HD23 ' O ' ' C' ' 14' ' ' ALA . 0.4 OUTLIER -71.68 -38.89 70.56 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.174 -179.582 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' D' D ' 114' ' ' HIS . . . . . 0.513 ' HA ' HD23 ' D' ' 93' ' ' LEU . 0.3 OUTLIER -60.6 -35.19 75.51 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 178.877 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' D' D ' 115' ' ' SER . . . . . . . . . . . . . 8.7 t -72.4 -35.51 68.42 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 177.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 116' ' ' VAL . . . . . 0.427 ' HB ' ' HA ' ' D' ' 113' ' ' LEU . 17.6 t -65.06 -23.81 34.12 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 CA-C-N 115.056 -0.974 . . . . 0.0 109.392 177.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 117' ' ' PHE . . . . . 0.492 ' HB3' ' CG1' ' D' ' 89' ' ' VAL . 7.6 m-85 -100.68 -25.92 13.98 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.294 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 118' ' ' GLN . . . . . 0.425 ' NE2' ' CE1' ' D' ' 114' ' ' HIS . 0.0 OUTLIER -73.79 -26.89 60.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.36 -179.481 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -41.46 134.54 2.28 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.938 -179.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 120' ' ' GLN . . . . . . . . . . . . . 4.6 tm0? -71.6 -50.45 30.77 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.665 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 121' ' ' HIS . . . . . . . . . . . . . 23.1 m80 -55.87 -34.26 65.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.447 179.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 122' ' ' LEU . . . . . 0.437 ' CD2' ' HA ' ' D' ' 117' ' ' PHE . 53.6 tp -56.07 -47.78 77.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.098 179.5 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 123' ' ' HIS . . . . . 0.662 ' HA ' ' CD1' ' D' ' 126' ' ' LEU . 91.4 m-70 -53.03 -27.5 19.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.152 0.501 . . . . 0.0 109.952 178.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 124' ' ' THR . . . . . . . . . . . . . 4.6 m -77.77 -30.41 51.42 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.666 179.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 125' ' ' LEU . . . . . 0.586 ' HA ' ' CD1' ' C' ' 52' ' ' LEU . 28.6 mt -69.47 -43.87 72.34 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.334 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 126' ' ' LEU . . . . . 0.662 ' CD1' ' HA ' ' D' ' 123' ' ' HIS . 0.3 OUTLIER -71.41 -39.35 71.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.977 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' D' D ' 127' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -66.85 -41.74 86.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.573 -179.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 128' ' ' LEU . . . . . 0.458 ' CD2' ' CD2' ' A' ' 59' ' ' TYR . 72.3 mt -75.82 -40.25 55.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.921 0.391 . . . . 0.0 110.862 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 129' ' ' TYR . . . . . 0.406 ' CE1' ' CB ' ' C' ' 46' ' ' SER . 2.4 t80 -55.6 -51.31 67.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.905 -179.683 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 130' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -75.57 -29.62 59.39 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 131' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.22 -49.91 75.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.697 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 132' ' ' ILE . . . . . 0.458 ' HB ' HD23 ' C' ' 48' ' ' LEU . 2.5 mt -75.42 -33.25 27.08 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 CA-C-O 121.006 0.432 . . . . 0.0 110.808 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 133' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -72.58 -25.88 61.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.26 -179.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 134' ' ' THR . . . . . 0.409 HG23 ' N ' ' D' ' 135' ' ' LYS . 4.6 t -65.81 -30.46 71.09 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.241 -179.582 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 135' ' ' LYS . . . . . 0.409 ' N ' HG23 ' D' ' 134' ' ' THR . 0.0 OUTLIER -94.77 -30.96 13.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.051 -179.834 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' D' D ' 136' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.893 179.953 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.7 mtm180 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.411 ' HA ' ' OG1' ' A' ' 11' ' ' THR . 0.1 OUTLIER -64.0 -37.94 89.24 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 179.247 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -72.39 -32.43 66.39 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.604 178.635 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -76.96 -29.91 55.79 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.36 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.411 ' OG1' ' HA ' ' A' ' 8' ' ' LYS . 1.3 p -70.24 -42.83 71.7 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.284 179.696 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.32 -35.2 71.15 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 179.23 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.6 tpt180 -76.04 -25.27 55.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.85 178.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.446 ' O ' HD23 ' B' ' 113' ' ' LEU . . . -78.68 -54.52 6.03 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.563 178.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.481 ' CD2' ' HB3' ' A' ' 44' ' ' PHE . 0.4 OUTLIER -63.92 -26.85 68.78 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.687 179.363 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 19.6 t-160 -73.62 -45.02 55.47 Favored 'General case' 0 CA--C 1.519 -0.215 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.447 ' CD2' ' CE1' ' A' ' 21' ' ' TYR . 2.0 mt -62.61 -37.15 85.14 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.344 178.718 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.445 ' HB3' HG23 ' A' ' 37' ' ' ILE . 47.0 mt -60.24 -48.2 82.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.521 179.657 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.419 ' O ' ' CG ' ' A' ' 22' ' ' ARG . 34.4 mt-10 -57.81 -44.0 86.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.772 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.439 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 14.0 mt-10 -70.16 -34.59 73.21 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.153 0.501 . . . . 0.0 109.695 179.427 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.466 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 12.0 m-30 -66.09 -46.43 77.66 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.906 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.419 ' CG ' ' O ' ' A' ' 19' ' ' GLU . 38.0 ptt85 -60.18 -39.69 87.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.897 0.38 . . . . 0.0 110.217 179.438 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.44 -46.41 80.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.264 179.268 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.439 ' HG3' ' O ' ' A' ' 20' ' ' GLU . 38.3 mtpt -81.05 -23.41 38.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.981 179.425 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.486 HD13 HG12 ' B' ' 99' ' ' ILE . 0.2 OUTLIER -69.6 -74.1 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.872 -179.185 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.436 ' HB3' ' HB2' ' A' ' 34' ' ' ARG . 1.4 p -57.16 -162.73 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.437 -179.145 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.406 ' OE1' ' NH1' ' A' ' 31' ' ' ARG . 1.5 mp0 60.58 30.22 19.58 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.423 -179.742 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.493 ' CG2' ' H ' ' A' ' 29' ' ' GLU . 6.0 t -154.25 -58.57 0.12 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.295 -179.587 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.493 ' H ' ' CG2' ' A' ' 28' ' ' THR . 17.0 pt-20 -174.97 28.25 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.756 -179.28 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.447 ' CB ' HD23 ' A' ' 25' ' ' LEU . 0.7 OUTLIER -146.99 53.48 1.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.018 0.437 . . . . 0.0 110.931 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.406 ' NH1' ' OE1' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -64.78 -49.37 70.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.024 179.588 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.83 -51.34 69.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.117 179.214 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.442 ' CD2' ' HB2' ' B' ' 95' ' ' SER . 35.6 tp -52.6 -35.02 53.42 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.074 179.027 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.436 ' HB2' ' HB3' ' A' ' 26' ' ' SER . 6.6 ttp180 -60.51 -41.86 95.2 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 178.63 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.2 t -60.45 -34.56 74.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.171 179.104 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.48 ' O ' ' HG2' ' A' ' 39' ' ' ARG . 0.8 OUTLIER -66.69 -46.22 76.31 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.233 0.539 . . . . 0.0 110.387 179.509 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.579 ' O ' HG12 ' A' ' 41' ' ' ILE . 52.4 mt -61.15 -39.53 82.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.867 178.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -62.19 -51.52 67.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.122 -0.945 . . . . 0.0 111.914 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.481 ' HG3' ' CB ' ' B' ' 88' ' ' ALA . 4.5 ptp180 -55.33 -38.52 68.84 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.04 -179.742 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.434 ' CG1' ' CD1' ' A' ' 44' ' ' PHE . 88.0 t -63.93 -40.95 90.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 178.405 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.579 HG12 ' O ' ' A' ' 37' ' ' ILE . 8.3 mm -55.36 -56.6 10.79 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.164 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.363 179.506 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.9 t -60.03 -47.55 85.4 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.914 0.388 . . . . 0.0 110.787 -179.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.431 HD13 HG22 ' A' ' 43' ' ' ILE . 22.1 mt -59.86 -34.26 55.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.078 179.333 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.481 ' HB3' ' CD2' ' A' ' 15' ' ' LEU . 1.2 m-85 -72.47 -57.62 4.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.768 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -77.98 -2.26 36.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.788 -179.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.45 ' CB ' ' CE1' ' B' ' 129' ' ' TYR . 0.1 OUTLIER -49.44 141.23 9.35 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.931 0.396 . . . . 0.0 111.046 -179.858 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.98 -36.07 76.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.328 -179.522 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.422 HD22 ' HB2' ' B' ' 133' ' ' ASN . 0.9 OUTLIER -79.44 -45.27 19.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.147 -179.759 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.427 ' CG ' ' O ' ' A' ' 43' ' ' ILE . 51.2 t80 -51.15 -56.17 14.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.264 -179.52 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -56.91 -36.67 70.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.891 0.377 . . . . 0.0 110.519 179.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.18 -44.34 92.19 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.405 179.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.6 mt -60.75 -43.7 97.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.979 179.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 7.1 mt -55.24 -39.57 52.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.621 179.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -63.33 -44.02 96.11 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.235 179.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 64.1 mt -62.03 -35.63 69.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.633 179.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -57.17 -18.09 13.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.685 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.432 ' O ' ' CD1' ' A' ' 58' ' ' PHE . 5.8 mm-40 -43.84 -46.26 7.81 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 120.672 0.272 . . . . 0.0 111.6 -179.679 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.467 ' CD1' ' HB2' ' C' ' 65' ' ' ASP . 15.8 m-85 -149.14 30.38 0.78 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.642 -179.695 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.443 ' CE2' ' CD1' ' C' ' 63' ' ' LEU . 9.3 m-85 -129.83 71.17 1.44 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.816 179.654 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -58.51 93.97 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.84 0.352 . . . . 0.0 110.799 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -72.92 98.88 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.102 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.5 m -78.94 121.69 25.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.328 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.435 ' CD1' ' CE2' ' C' ' 59' ' ' TYR . 0.1 OUTLIER -93.67 131.58 38.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.033 0.444 . . . . 0.0 111.213 -179.914 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.452 ' N ' ' CD2' ' A' ' 64' ' ' LEU . 0.1 OUTLIER -115.84 -24.71 8.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.918 -179.887 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.407 ' HB2' ' CB ' ' C' ' 58' ' ' PHE . 0.5 OUTLIER -84.24 5.94 24.64 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.009 179.664 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 . . . . . 0 C--N 1.332 -0.191 0 CA-C-O 120.711 0.291 . . . . 0.0 111.137 -179.947 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.485 0 N-CA-C 109.329 -1.508 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . 0.408 ' HB2' ' OD2' ' B' ' 130' ' ' ASP . 8.2 tt -91.41 -29.17 17.21 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 114.366 -0.917 . . . . 0.0 109.323 178.29 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . 0.628 ' O ' ' HB3' ' B' ' 87' ' ' ARG . 0.5 OUTLIER -73.18 -43.76 60.92 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.457 179.422 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . 0.822 ' O ' ' HB1' ' B' ' 88' ' ' ALA . . . -79.62 -17.78 53.05 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 114.875 -1.057 . . . . 0.0 111.052 -179.723 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 85' ' ' ALA . . . . . 0.54 ' CB ' ' HB3' ' B' ' 126' ' ' LEU . . . -51.75 -24.49 5.94 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 178.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -127.24 -36.89 2.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.973 178.36 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 87' ' ' ARG . . . . . 0.628 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 17.1 ttt-85 -69.86 -34.75 74.02 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.961 179.726 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . 0.822 ' HB1' ' O ' ' B' ' 84' ' ' ALA . . . -73.45 -41.53 63.09 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.792 -179.698 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 89' ' ' VAL . . . . . 0.47 ' CG1' ' HB3' ' B' ' 117' ' ' PHE . 40.8 t -69.88 -34.2 59.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.319 179.242 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 90' ' ' SER . . . . . 0.41 ' HA ' ' HB2' ' B' ' 93' ' ' LEU . 1.2 m -75.16 -27.58 59.75 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.598 179.43 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 91' ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' B' ' 87' ' ' ARG . 23.9 mt-30 -66.92 -55.55 14.15 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-O 121.3 0.571 . . . . 0.0 109.697 179.448 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 92' ' ' VAL . . . . . 0.426 ' CG2' ' HA ' ' A' ' 37' ' ' ILE . 6.8 t -66.54 -27.7 41.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.844 179.095 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . 0.623 HD22 ' HA ' ' B' ' 114' ' ' HIS . 2.9 mt -65.86 -35.9 81.95 Favored 'General case' 0 N--CA 1.458 -0.067 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.507 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -81.8 -39.59 23.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.947 0.403 . . . . 0.0 111.067 -179.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 95' ' ' SER . . . . . 0.461 ' O ' ' N ' ' B' ' 98' ' ' GLU . 1.2 p -80.08 -20.18 45.76 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.257 -179.444 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . 0.427 ' O ' ' HB ' ' B' ' 99' ' ' ILE . 0.1 OUTLIER -34.71 -52.84 0.53 Allowed 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 112.643 0.609 . . . . 0.0 112.643 -179.036 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -71.38 -29.55 65.08 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.005 0.431 . . . . 0.0 111.285 -179.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' B' ' 95' ' ' SER . 0.2 OUTLIER -69.95 -33.02 71.56 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 177.76 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 99' ' ' ILE . . . . . 0.486 HG12 HD13 ' A' ' 25' ' ' LEU . 13.8 mt -63.01 -49.55 83.12 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.879 0 CA-C-N 114.556 -1.202 . . . . 0.0 109.963 178.642 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . 0.518 ' HB2' ' CD1' ' B' ' 110' ' ' LEU . 1.9 t-160 -56.9 -34.29 67.76 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 177.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -55.44 -44.94 76.81 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.432 -1.258 . . . . 0.0 111.667 179.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 102' ' ' LEU . . . . . 0.427 ' CD1' HD22 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -117.03 21.51 13.18 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -177.661 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 103' ' ' THR . . . . . 0.426 HG22 ' O ' ' B' ' 99' ' ' ILE . 28.4 p -140.32 -5.74 1.23 Allowed 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 179.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 45.9 26.7 0.41 Allowed 'General case' 0 CA--C 1.528 0.133 0 CA-C-O 120.851 0.358 . . . . 0.0 111.061 -179.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 105' ' ' SER . . . . . 0.426 ' HB3' ' CE1' ' A' ' 21' ' ' TYR . 0.0 OUTLIER -50.54 -83.03 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.991 179.906 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 165.36 105.3 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.286 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -47.3 -34.91 7.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.881 0.372 . . . . 0.0 110.836 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 9.8 tptm -63.1 -47.59 82.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.105 0.479 . . . . 0.0 109.836 179.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -65.19 -37.36 87.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.85 178.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 110' ' ' LEU . . . . . 0.518 ' CD1' ' HB2' ' B' ' 100' ' ' HIS . 29.6 mt -59.89 -41.49 91.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.152 179.15 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 111' ' ' ASP . . . . . 0.405 ' O ' ' CD2' ' B' ' 114' ' ' HIS . 0.6 OUTLIER -64.22 -42.1 96.73 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.708 179.851 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -58.42 -37.33 75.15 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.253 179.595 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 113' ' ' LEU . . . . . 0.453 ' HB3' ' CE2' ' B' ' 117' ' ' PHE . 0.5 OUTLIER -76.62 -29.28 56.42 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.739 179.764 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 114' ' ' HIS . . . . . 0.623 ' HA ' HD22 ' B' ' 93' ' ' LEU . 0.0 OUTLIER -62.86 -33.99 76.41 Favored 'General case' 0 CA--C 1.519 -0.249 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 178.526 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 28.5 t -75.98 -38.97 56.87 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 178.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 116' ' ' VAL . . . . . 0.42 ' O ' ' CD2' ' B' ' 122' ' ' LEU . 25.4 t -61.72 -23.55 31.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.799 178.429 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 117' ' ' PHE . . . . . 0.47 ' HB3' ' CG1' ' B' ' 89' ' ' VAL . 21.9 m-85 -100.39 -31.47 11.3 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.442 -179.648 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.34 -29.34 68.86 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 111.93 0.345 . . . . 0.0 111.93 -178.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -43.89 117.75 1.27 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.899 0.381 . . . . 0.0 111.623 -179.306 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -60.78 -44.59 96.6 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.84 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 20.9 m170 -55.45 -33.31 63.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.638 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . 0.42 ' CD2' ' O ' ' B' ' 116' ' ' VAL . 25.7 tp -55.46 -48.65 74.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.762 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 123' ' ' HIS . . . . . 0.498 ' HA ' ' CD1' ' B' ' 126' ' ' LEU . 0.0 OUTLIER -55.34 -25.78 36.91 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 179.206 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 124' ' ' THR . . . . . 0.439 ' N ' ' CD2' ' B' ' 123' ' ' HIS . 1.4 m -74.85 -37.74 62.15 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.475 178.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 2.1 mt -73.1 -31.99 64.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.499 178.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . 0.54 ' HB3' ' CB ' ' B' ' 85' ' ' ALA . 5.7 mt -73.23 -50.44 22.41 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.648 179.705 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -65.43 -42.84 92.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.226 179.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . 0.441 ' CD2' ' CD2' ' C' ' 59' ' ' TYR . 80.5 mt -68.49 -33.03 73.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.209 179.348 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 129' ' ' TYR . . . . . 0.45 ' CE1' ' CB ' ' A' ' 46' ' ' SER . 4.5 t80 -58.64 -52.73 64.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.77 -179.618 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 130' ' ' ASP . . . . . 0.408 ' OD2' ' HB2' ' B' ' 82' ' ' LEU . 0.3 OUTLIER -76.74 -26.58 54.75 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.831 -0.347 . . . . 0.0 111.259 179.589 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 131' ' ' LYS . . . . . 0.406 ' HB2' ' HA ' ' B' ' 128' ' ' LEU . 2.1 mmmp? -54.99 -54.05 47.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.634 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 1.9 mt -75.96 -38.64 36.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 133' ' ' ASN . . . . . 0.422 ' HB2' HD22 ' A' ' 48' ' ' LEU . 27.9 t30 -64.18 -32.03 73.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 67.5 m -84.61 -18.71 34.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.546 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.63 -69.19 0.29 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.945 0.402 . . . . 0.0 110.441 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.713 179.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 7' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 1.6 tttm -61.14 -40.37 93.57 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 121.186 0.517 . . . . 0.0 109.741 179.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -75.45 -29.67 59.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.284 179.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -77.54 -29.91 52.53 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.612 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 1.1 p -73.72 -44.3 56.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.42 179.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -68.28 -39.36 82.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.424 179.581 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 6.0 tpp85 -74.22 -25.12 59.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.156 179.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 14' ' ' ALA . . . . . 0.409 ' O ' HD23 ' D' ' 113' ' ' LEU . . . -78.61 -48.4 15.19 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.155 179.22 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 15' ' ' LEU . . . . . 0.533 ' CD2' ' HB3' ' C' ' 44' ' ' PHE . 0.4 OUTLIER -67.51 -26.38 66.32 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.831 179.78 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 16' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -73.54 -48.14 35.38 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 178.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . 0.419 HD23 ' CE1' ' C' ' 21' ' ' TYR . 1.3 mt -60.97 -37.87 83.95 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.461 -0.791 . . . . 0.0 109.466 178.625 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . 0.456 ' HB3' ' CG2' ' C' ' 37' ' ' ILE . 23.7 mt -60.55 -50.38 73.76 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.845 -1.071 . . . . 0.0 110.822 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . 0.424 ' O ' ' CG ' ' C' ' 22' ' ' ARG . 0.8 OUTLIER -57.87 -36.41 72.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.682 179.942 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 20' ' ' GLU . . . . . 0.477 ' O ' ' HG3' ' C' ' 24' ' ' LYS . 3.2 mt-10 -71.86 -36.61 70.17 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.028 179.529 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 21' ' ' TYR . . . . . 0.547 ' O ' ' CB ' ' C' ' 25' ' ' LEU . 7.6 m-30 -64.4 -49.17 72.61 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.461 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 22' ' ' ARG . . . . . 0.424 ' CG ' ' O ' ' C' ' 19' ' ' GLU . 0.4 OUTLIER -55.85 -42.74 76.28 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 120.801 0.334 . . . . 0.0 110.462 179.28 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 23' ' ' SER . . . . . 0.4 ' O ' ' HG3' ' C' ' 27' ' ' GLN . 1.5 m -63.25 -29.43 70.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.415 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 24' ' ' LYS . . . . . 0.477 ' HG3' ' O ' ' C' ' 20' ' ' GLU . 0.0 OUTLIER -119.64 22.81 11.48 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-O 120.82 0.343 . . . . 0.0 111.391 -179.88 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 25' ' ' LEU . . . . . 0.581 ' CD2' ' C ' ' C' ' 25' ' ' LEU . 0.0 OUTLIER -126.63 -62.52 1.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.778 -179.561 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 26' ' ' SER . . . . . 0.467 ' CB ' ' HB2' ' C' ' 34' ' ' ARG . 30.8 m -69.27 -13.64 62.5 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.435 -178.352 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 27' ' ' GLN . . . . . 0.416 ' OE1' ' NH1' ' C' ' 31' ' ' ARG . 2.4 mm-40 -83.07 56.71 3.59 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.853 0.358 . . . . 0.0 110.718 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 28' ' ' THR . . . . . 0.456 ' CG2' ' N ' ' C' ' 29' ' ' GLU . 1.6 t -171.61 -50.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.325 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 29' ' ' GLU . . . . . 0.456 ' N ' ' CG2' ' C' ' 28' ' ' THR . 18.9 pt-20 -172.69 27.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.695 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -139.65 48.93 1.81 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.865 0.364 . . . . 0.0 111.403 -179.736 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . 0.416 ' NH1' ' OE1' ' C' ' 27' ' ' GLN . 1.0 OUTLIER -59.13 -51.74 68.73 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 121.075 0.464 . . . . 0.0 110.356 179.528 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -55.02 -45.31 75.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.252 0.548 . . . . 0.0 109.7 178.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 33' ' ' LEU . . . . . 0.418 ' CD2' HD11 ' C' ' 25' ' ' LEU . 3.5 tp -54.97 -33.66 62.6 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.899 178.781 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 34' ' ' ARG . . . . . 0.467 ' HB2' ' CB ' ' C' ' 26' ' ' SER . 2.0 ttp180 -60.47 -48.78 80.25 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.361 178.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 47.2 t -55.35 -37.12 67.06 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.86 -1.064 . . . . 0.0 110.781 179.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 36' ' ' SER . . . . . 0.441 ' HB3' HE21 ' D' ' 91' ' ' GLN . 66.4 m -67.92 -51.86 42.9 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.977 0.418 . . . . 0.0 110.354 179.564 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 37' ' ' ILE . . . . . 0.66 ' O ' HG12 ' C' ' 41' ' ' ILE . 63.6 mt -58.47 -38.44 70.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.273 0.559 . . . . 0.0 109.526 178.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -59.3 -52.45 65.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 114.98 -1.009 . . . . 0.0 111.97 -179.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 39' ' ' ARG . . . . . 0.603 ' HG3' ' HB3' ' D' ' 88' ' ' ALA . 3.9 ptp180 -57.1 -41.38 78.82 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.316 -0.554 . . . . 0.0 110.001 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . 0.426 HG11 ' CE2' ' C' ' 44' ' ' PHE . 66.4 t -60.98 -31.61 50.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.482 -0.327 . . . . 0.0 110.285 178.419 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 41' ' ' ILE . . . . . 0.66 HG12 ' O ' ' C' ' 37' ' ' ILE . 20.0 mm -68.23 -61.16 1.8 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.883 179.476 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 48.0 t -55.41 -46.5 76.63 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-O 121.114 0.483 . . . . 0.0 110.455 -179.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 43' ' ' ILE . . . . . 0.459 HG21 ' CE2' ' D' ' 129' ' ' TYR . 8.8 mt -59.99 -33.19 52.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.838 178.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 44' ' ' PHE . . . . . 0.533 ' HB3' ' CD2' ' C' ' 15' ' ' LEU . 0.3 OUTLIER -71.99 -59.0 2.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.451 179.753 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 45' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -75.47 -4.18 38.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.863 -179.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 46' ' ' SER . . . . . 0.415 ' OG ' ' CZ ' ' D' ' 129' ' ' TYR . 0.3 OUTLIER -47.98 137.51 10.08 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.924 0.392 . . . . 0.0 111.17 -179.865 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.12 -39.27 81.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.287 -179.724 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . 0.429 ' HG ' ' HA ' ' D' ' 129' ' ' TYR . 2.6 tp -75.38 -45.36 39.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.073 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 49' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -51.17 -53.48 34.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.722 0.296 . . . . 0.0 111.141 -179.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 20.7 mm-40 -57.35 -38.66 74.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.595 179.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.79 -43.1 90.4 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.06 0.457 . . . . 0.0 110.304 179.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 1.9 mt -61.46 -44.22 97.49 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.076 179.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 45.3 mt -54.69 -40.07 49.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.674 179.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -66.44 -38.76 88.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.232 179.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 55' ' ' ILE . . . . . 0.456 ' CG2' ' HB2' ' C' ' 59' ' ' TYR . 69.0 mt -59.14 -46.0 92.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.547 179.409 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 56' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -52.06 -24.48 6.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.468 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 57' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -48.83 -30.4 5.71 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.277 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 58' ' ' PHE . . . . . 0.407 ' CB ' ' HB2' ' A' ' 65' ' ' ASP . 54.1 m-85 -155.95 25.19 0.38 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.56 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 59' ' ' TYR . . . . . 0.456 ' HB2' ' CG2' ' C' ' 55' ' ' ILE . 42.7 m-85 -134.89 72.83 1.46 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.255 179.502 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -60.43 99.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.017 -179.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 61' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -72.68 96.68 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.984 0.421 . . . . 0.0 110.296 179.568 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 62' ' ' THR . . . . . . . . . . . . . 3.5 m -82.36 120.14 25.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.121 -179.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 63' ' ' LEU . . . . . 0.443 ' CD1' ' CE2' ' A' ' 59' ' ' TYR . 0.9 OUTLIER -89.87 124.51 34.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.139 179.333 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 64' ' ' LEU . . . . . 0.436 ' CD2' ' N ' ' C' ' 64' ' ' LEU . 0.1 OUTLIER -109.52 -26.43 9.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.256 -179.846 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 65' ' ' ASP . . . . . 0.467 ' HB2' ' CD1' ' A' ' 58' ' ' PHE . 0.1 OUTLIER -142.67 3.86 1.49 Allowed 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -179.822 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 66' ' ' ASN . . . . . 0.442 ' ND2' ' O ' ' C' ' 65' ' ' ASP . 5.8 p30 . . . . . 0 N--CA 1.467 0.4 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.498 0 N-CA-C 110.641 -0.983 . . . . 0.0 110.641 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 82' ' ' LEU . . . . . 0.579 ' N ' ' CD1' ' D' ' 82' ' ' LEU . 0.5 OUTLIER -92.28 -9.3 42.54 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 178.407 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' D' D ' 83' ' ' LEU . . . . . 0.701 ' O ' ' HB3' ' D' ' 87' ' ' ARG . 0.4 OUTLIER -75.23 -44.92 43.46 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.881 179.876 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' D' D ' 84' ' ' ALA . . . . . 0.686 ' O ' ' HB1' ' D' ' 88' ' ' ALA . . . -82.51 -21.08 35.61 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.996 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 85' ' ' ALA . . . . . 0.448 ' CB ' ' CB ' ' D' ' 126' ' ' LEU . . . -52.02 -26.09 9.98 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-O 121.142 0.496 . . . . 0.0 110.179 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 86' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -124.93 -33.36 2.93 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.094 178.801 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 87' ' ' ARG . . . . . 0.701 ' HB3' ' O ' ' D' ' 83' ' ' LEU . 26.9 ttt180 -69.15 -53.5 19.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.664 178.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 88' ' ' ALA . . . . . 0.686 ' HB1' ' O ' ' D' ' 84' ' ' ALA . . . -57.92 -42.51 84.94 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.783 179.489 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 89' ' ' VAL . . . . . 0.496 ' CG1' ' HB3' ' D' ' 117' ' ' PHE . 44.0 t -72.58 -56.12 10.89 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.515 179.486 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 63.5 m -58.8 -25.01 62.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.319 179.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 91' ' ' GLN . . . . . 0.451 ' HG3' ' O ' ' D' ' 87' ' ' ARG . 8.2 mt-30 -66.77 -58.08 5.78 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.773 179.323 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 92' ' ' VAL . . . . . 0.407 ' CG1' ' CD2' ' C' ' 18' ' ' LEU . 16.9 t -67.76 -27.95 39.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.877 179.277 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 93' ' ' LEU . . . . . 0.571 ' CD2' ' HA ' ' D' ' 114' ' ' HIS . 2.5 mt -66.34 -33.54 75.96 Favored 'General case' 0 N--CA 1.456 -0.164 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.9 179.252 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -88.16 -30.68 19.61 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.059 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 95' ' ' SER . . . . . 0.402 ' CB ' HD13 ' C' ' 33' ' ' LEU . 0.3 OUTLIER -79.79 -25.17 41.0 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.887 -179.516 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' D' D ' 96' ' ' LEU . . . . . 0.572 ' O ' ' HB ' ' D' ' 99' ' ' ILE . 0.2 OUTLIER -41.46 -52.25 3.65 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.011 0.434 . . . . 0.0 111.917 -179.26 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -61.97 -32.54 73.0 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.969 0.414 . . . . 0.0 110.657 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.76 -37.35 73.38 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 177.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 99' ' ' ILE . . . . . 0.572 ' HB ' ' O ' ' D' ' 96' ' ' LEU . 18.8 mt -57.85 -47.93 85.04 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.657 0 CA-C-N 114.464 -1.244 . . . . 0.0 109.685 178.461 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 100' ' ' HIS . . . . . 0.549 ' HB2' ' CD1' ' D' ' 110' ' ' LEU . 9.5 t-160 -55.96 -41.3 74.51 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-O 122.008 0.909 . . . . 0.0 108.721 178.229 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 101' ' ' ALA . . . . . . . . . . . . . . . -51.58 -41.11 60.94 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 113.918 -1.492 . . . . 0.0 111.893 179.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 102' ' ' LEU . . . . . 0.42 HD13 HD22 ' C' ' 25' ' ' LEU . 0.4 OUTLIER -123.69 35.94 4.74 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 113.183 0.809 . . . . 0.0 113.183 -177.437 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' D' D ' 103' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' D' ' 99' ' ' ILE . 43.3 p -152.99 -37.66 0.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.602 -0.439 . . . . 0.0 111.931 179.502 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 5.3 t0 73.44 30.41 1.49 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.088 0.471 . . . . 0.0 109.899 -178.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 105' ' ' SER . . . . . 0.402 ' OG ' ' CE1' ' C' ' 21' ' ' TYR . 2.7 m -61.05 -8.62 3.46 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.829 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 106' ' ' SER . . . . . 0.401 ' CB ' ' O ' ' D' ' 105' ' ' SER . 0.3 OUTLIER 78.36 122.79 0.05 OUTLIER 'General case' 0 C--O 1.232 0.176 0 CA-C-O 120.764 0.316 . . . . 0.0 110.604 -179.625 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' D' D ' 107' ' ' GLU . . . . . 0.424 ' HG3' ' CE1' ' D' ' 100' ' ' HIS . 5.6 mt-10 -55.16 -22.45 17.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.2 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 9.1 mptt -60.98 -55.24 35.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.992 0.425 . . . . 0.0 110.178 179.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 109' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -64.67 -33.36 75.76 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.855 178.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 110' ' ' LEU . . . . . 0.549 ' CD1' ' HB2' ' D' ' 100' ' ' HIS . 95.8 mt -66.19 -41.53 90.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.328 179.378 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 111' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.77 -42.88 99.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.669 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 112' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -62.01 -42.91 99.67 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.759 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 113' ' ' LEU . . . . . 0.42 ' O ' ' CD2' ' D' ' 117' ' ' PHE . 0.5 OUTLIER -73.0 -38.46 66.61 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.792 -179.87 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' D' D ' 114' ' ' HIS . . . . . 0.571 ' HA ' ' CD2' ' D' ' 93' ' ' LEU . 35.6 m80 -56.36 -34.62 66.81 Favored 'General case' 0 CA--C 1.519 -0.229 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 178.295 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 115' ' ' SER . . . . . . . . . . . . . 30.6 t -75.35 -38.09 60.29 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 178.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 116' ' ' VAL . . . . . 0.419 ' O ' ' CD2' ' D' ' 122' ' ' LEU . 42.4 t -57.17 -23.47 18.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.768 178.258 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 117' ' ' PHE . . . . . 0.496 ' HB3' ' CG1' ' D' ' 89' ' ' VAL . 38.1 m-85 -102.88 -38.81 7.23 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.497 -179.717 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 118' ' ' GLN . . . . . 0.415 ' NE2' ' O ' ' D' ' 114' ' ' HIS . 0.0 OUTLIER -56.34 -29.48 61.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.678 -178.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -44.84 127.5 6.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.708 -179.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 120' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -70.41 -50.52 37.66 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.662 179.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 121' ' ' HIS . . . . . . . . . . . . . 37.3 m-70 -55.61 -33.27 63.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.354 179.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 122' ' ' LEU . . . . . 0.662 ' O ' HD12 ' D' ' 126' ' ' LEU . 21.1 tp -55.32 -50.16 70.31 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.991 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 123' ' ' HIS . . . . . 0.594 ' HA ' ' CD1' ' D' ' 126' ' ' LEU . 30.7 m170 -49.95 -29.22 8.0 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 121.129 0.49 . . . . 0.0 110.143 178.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 124' ' ' THR . . . . . . . . . . . . . 2.8 m -72.69 -36.67 67.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.772 179.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 125' ' ' LEU . . . . . 0.485 ' CD1' ' HA ' ' D' ' 122' ' ' LEU . 14.3 mt -63.23 -46.56 86.4 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.089 179.664 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 126' ' ' LEU . . . . . 0.662 HD12 ' O ' ' D' ' 122' ' ' LEU . 1.3 mp -65.48 -41.08 93.69 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.012 -179.773 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 127' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -63.53 -44.95 92.73 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.267 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 128' ' ' LEU . . . . . 0.414 HD22 ' CE2' ' A' ' 59' ' ' TYR . 7.0 mt -72.18 -40.62 67.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.349 -179.564 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 129' ' ' TYR . . . . . 0.459 ' CE2' HG21 ' C' ' 43' ' ' ILE . 0.3 OUTLIER -55.64 -51.52 66.94 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.06 -179.33 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' D' D ' 130' ' ' ASP . . . . . 0.43 ' CB ' HD11 ' D' ' 82' ' ' LEU . 5.1 m-20 -75.83 -26.63 57.36 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.117 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 131' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.47 -51.69 61.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.763 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 132' ' ' ILE . . . . . 0.407 ' HB ' HD22 ' C' ' 48' ' ' LEU . 2.6 mt -71.44 -36.73 61.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 CA-C-O 121.068 0.461 . . . . 0.0 110.584 179.773 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 133' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -61.38 -31.21 71.1 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.977 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 134' ' ' THR . . . . . . . . . . . . . 86.9 m -78.73 -39.76 35.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.956 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 135' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.29 -29.17 68.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.856 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 136' ' ' SER . . . . . . . . . . . . . 42.3 t . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.095 -179.9 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 5.4 mtm-85 . . . . . 0 N--CA 1.455 -0.223 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.3 tptm -63.34 -38.92 93.03 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 179.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 59.0 mm-40 -74.51 -28.37 60.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.072 179.078 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -79.35 -32.45 43.24 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.552 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -72.29 -38.46 68.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.342 179.525 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.405 ' O ' ' CG ' ' A' ' 16' ' ' HIS . 0.3 OUTLIER -70.77 -45.3 65.01 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.521 179.481 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.426 ' HB3' ' CZ ' ' B' ' 112' ' ' PHE . 0.0 OUTLIER -67.4 -26.12 66.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.006 179.33 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.419 ' CB ' HD22 ' B' ' 113' ' ' LEU . . . -78.75 -54.22 6.31 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.548 178.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.487 ' CD2' ' HB3' ' A' ' 44' ' ' PHE . 0.3 OUTLIER -64.98 -27.43 68.83 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.548 179.463 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.405 ' CG ' ' O ' ' A' ' 12' ' ' GLN . 13.3 m170 -72.58 -46.92 51.95 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 178.627 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.423 HD23 ' CZ ' ' A' ' 21' ' ' TYR . 1.5 mt -61.16 -37.92 84.61 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.295 178.595 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.458 ' HB3' ' CG2' ' A' ' 37' ' ' ILE . 36.5 mt -63.06 -43.19 99.28 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 114.859 -1.064 . . . . 0.0 110.681 179.579 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -60.43 -38.63 84.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.864 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.12 -37.28 61.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.472 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.64 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 17.3 m-85 -67.32 -47.68 69.81 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.404 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.463 ' HG3' ' N ' ' A' ' 23' ' ' SER . 1.5 ptm180 -58.12 -45.09 87.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.307 179.333 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.463 ' N ' ' HG3' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -56.74 -37.28 70.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.467 179.452 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.467 ' HE3' ' HB2' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -104.04 11.47 35.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.568 179.875 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.64 ' HB2' ' O ' ' A' ' 21' ' ' TYR . 0.1 OUTLIER -97.48 -51.15 4.25 Favored 'General case' 0 C--N 1.333 -0.124 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -179.447 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.667 ' HB2' ' HA ' ' A' ' 31' ' ' ARG . 52.9 p -68.42 -31.13 70.24 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -178.231 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.412 ' OE1' ' OG ' ' A' ' 26' ' ' SER . 0.7 OUTLIER -68.52 57.04 0.08 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.882 0.372 . . . . 0.0 111.422 -178.754 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.523 ' CG2' ' H ' ' A' ' 29' ' ' GLU . 8.6 t -176.57 -61.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.668 179.536 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.523 ' H ' ' CG2' ' A' ' 28' ' ' THR . 16.4 pt-20 -176.56 28.64 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.814 -179.338 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -137.8 46.08 2.11 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.011 0.434 . . . . 0.0 110.58 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.667 ' HA ' ' HB2' ' A' ' 26' ' ' SER . 0.0 OUTLIER -63.05 -55.24 27.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.181 -179.52 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 44.7 tp60 -53.05 -44.73 67.67 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.407 0.622 . . . . 0.0 109.562 178.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.416 HD12 ' CB ' ' B' ' 95' ' ' SER . 7.7 tp -57.1 -34.66 68.55 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.122 178.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.658 ' HB2' ' HB3' ' A' ' 26' ' ' SER . 2.0 ttt180 -60.36 -43.5 96.45 Favored 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 178.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 28.9 m -55.61 -40.59 72.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.285 -0.871 . . . . 0.0 109.737 178.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.425 ' O ' ' CG ' ' A' ' 39' ' ' ARG . 0.7 OUTLIER -64.09 -51.3 64.67 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.378 179.144 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.593 ' O ' HG12 ' A' ' 41' ' ' ILE . 34.6 mt -58.32 -37.65 64.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.187 0.517 . . . . 0.0 109.657 178.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.75 -52.63 63.46 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.546 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.488 ' HG3' ' HB1' ' B' ' 88' ' ' ALA . 4.2 ptp85 -55.63 -34.59 65.06 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.627 -0.429 . . . . 0.0 109.867 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.456 ' O ' ' HB2' ' A' ' 44' ' ' PHE . 59.0 t -67.21 -33.12 60.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 109.603 -0.518 . . . . 0.0 109.603 178.091 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.593 HG12 ' O ' ' A' ' 37' ' ' ILE . 14.7 mm -65.82 -61.04 1.88 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.15 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.403 179.436 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.9 t -56.48 -47.04 80.07 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-O 120.964 0.411 . . . . 0.0 110.624 -179.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.429 ' O ' ' CG ' ' A' ' 49' ' ' PHE . 15.5 mt -60.0 -33.47 53.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.89 179.137 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.487 ' HB3' ' CD2' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -72.11 -59.23 2.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.567 179.622 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -77.32 -3.0 37.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.867 -179.031 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.467 ' CB ' ' CE1' ' B' ' 129' ' ' TYR . 0.6 OUTLIER -47.33 137.74 8.06 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.813 0.34 . . . . 0.0 111.364 -179.755 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -58.66 -34.74 71.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.941 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.9 tp -79.02 -45.83 19.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.834 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.429 ' CG ' ' O ' ' A' ' 43' ' ' ILE . 19.5 t80 -51.44 -50.79 59.05 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.828 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -60.25 -34.45 73.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.069 179.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.99 -45.68 90.02 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.3 179.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.82 -44.06 97.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.269 179.305 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 42.5 mt -54.38 -38.86 41.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.621 179.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -69.81 -35.62 74.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.472 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.441 HG21 ' CD1' ' A' ' 59' ' ' TYR . 60.5 mt -59.24 -38.81 76.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.687 179.617 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -53.26 -23.49 9.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.679 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.408 ' O ' ' CD1' ' A' ' 58' ' ' PHE . 14.8 mm-40 -48.87 -33.33 10.45 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.629 -0.259 . . . . 0.0 111.537 -179.49 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.428 ' CE1' ' HB2' ' C' ' 65' ' ' ASP . 11.6 m-85 -154.88 29.86 0.41 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.791 0.329 . . . . 0.0 111.793 -179.737 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.441 ' CD1' HG21 ' A' ' 55' ' ' ILE . 66.5 m-85 -137.5 121.72 18.04 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.433 179.392 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -104.4 94.48 5.36 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.899 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -72.75 97.99 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.972 0.415 . . . . 0.0 110.879 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.0 m -86.37 113.15 22.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.785 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.416 HD11 ' CE2' ' C' ' 59' ' ' TYR . 0.2 OUTLIER -87.55 125.0 34.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.665 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.439 ' N ' ' CD2' ' A' ' 64' ' ' LEU . 0.1 OUTLIER -110.92 -17.32 13.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.239 -179.724 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.94 -3.6 45.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.51 -0.313 . . . . 0.0 111.016 179.611 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 . . . . . 0 C--N 1.333 -0.135 0 CA-C-O 120.838 0.352 . . . . 0.0 111.277 -179.999 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.631 0 N-CA-C 109.894 -1.282 . . . . 0.0 109.894 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . 0.571 ' CD2' ' N ' ' B' ' 82' ' ' LEU . 0.4 OUTLIER -72.82 -25.4 61.12 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 177.628 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . 0.732 ' O ' ' HB3' ' B' ' 87' ' ' ARG . 0.2 OUTLIER -63.03 -51.92 64.88 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.561 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . 0.731 ' O ' ' HB2' ' B' ' 88' ' ' ALA . . . -77.73 -20.92 52.68 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.538 -0.756 . . . . 0.0 111.497 -179.337 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 85' ' ' ALA . . . . . 0.433 ' CB ' ' CB ' ' B' ' 126' ' ' LEU . . . -52.07 -24.34 6.67 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.283 0.563 . . . . 0.0 109.865 179.255 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -127.11 -38.18 2.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.867 178.514 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 87' ' ' ARG . . . . . 0.732 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 29.8 ttt85 -66.9 -37.76 84.99 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.633 179.394 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . 0.731 ' HB2' ' O ' ' B' ' 84' ' ' ALA . . . -72.2 -46.11 57.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.716 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 89' ' ' VAL . . . . . 0.498 ' CG1' ' HB3' ' B' ' 117' ' ' PHE . 26.2 t -69.75 -37.66 74.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.241 179.132 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 90' ' ' SER . . . . . 0.404 ' HA ' ' HB2' ' B' ' 93' ' ' LEU . 73.3 m -73.5 -23.75 60.09 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.421 179.182 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 91' ' ' GLN . . . . . 0.418 ' NE2' ' HG2' ' B' ' 87' ' ' ARG . 5.3 mt-30 -68.71 -54.72 14.45 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-O 121.208 0.528 . . . . 0.0 109.637 179.302 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 92' ' ' VAL . . . . . 0.451 ' CG2' ' HA ' ' A' ' 37' ' ' ILE . 4.7 t -68.65 -28.03 38.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.318 -0.856 . . . . 0.0 109.977 179.141 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . 0.636 HD23 ' HA ' ' B' ' 114' ' ' HIS . 2.9 mt -66.34 -35.79 81.26 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.893 179.504 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -85.87 -33.03 21.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.881 0.372 . . . . 0.0 111.079 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 95' ' ' SER . . . . . 0.416 ' CB ' HD12 ' A' ' 33' ' ' LEU . 3.2 m -80.04 -21.6 43.31 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.045 -0.525 . . . . 0.0 112.015 -179.582 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . 0.484 HD22 ' CD2' ' B' ' 110' ' ' LEU . 0.2 OUTLIER -41.29 -48.42 3.6 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.028 0.442 . . . . 0.0 111.99 -179.462 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -64.49 -33.55 76.15 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.981 -179.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.0 -40.14 75.46 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 178.386 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 99' ' ' ILE . . . . . 0.479 ' HB ' ' O ' ' B' ' 96' ' ' LEU . 40.3 mt -54.78 -49.55 68.14 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.701 0 CA-C-N 114.772 -1.104 . . . . 0.0 109.939 178.367 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . 0.557 ' HB2' ' CD1' ' B' ' 110' ' ' LEU . 12.2 t-160 -54.86 -40.95 70.21 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-O 121.982 0.896 . . . . 0.0 108.736 178.426 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -53.49 -39.32 64.46 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 113.81 -1.541 . . . . 0.0 112.105 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 102' ' ' LEU . . . . . 0.44 ' CD1' ' CD2' ' A' ' 25' ' ' LEU . 0.4 OUTLIER -126.0 27.6 6.29 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -177.14 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 103' ' ' THR . . . . . 0.451 ' OG1' ' O ' ' B' ' 99' ' ' ILE . 43.0 p -143.71 -26.59 0.55 Allowed 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 179.524 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 20.5 t0 66.71 25.93 9.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.071 0.462 . . . . 0.0 110.252 -179.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 105' ' ' SER . . . . . 0.449 ' HB3' ' CE1' ' A' ' 21' ' ' TYR . 53.0 p -56.12 -22.06 26.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.386 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 106' ' ' SER . . . . . 0.442 ' CB ' ' O ' ' B' ' 105' ' ' SER . 2.2 t 84.05 130.31 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.428 -179.343 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . 0.401 ' HA ' HD11 ' B' ' 110' ' ' LEU . 3.3 tt0 -58.81 -19.19 38.94 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.43 -179.492 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -65.8 -55.51 16.78 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.965 0.412 . . . . 0.0 110.22 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -62.93 -35.99 81.92 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.371 -0.604 . . . . 0.0 109.371 178.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 110' ' ' LEU . . . . . 0.557 ' CD1' ' HB2' ' B' ' 100' ' ' HIS . 93.6 mt -62.29 -50.45 71.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.029 179.191 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -53.8 -40.83 66.66 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.843 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 112' ' ' PHE . . . . . 0.426 ' CZ ' ' HB3' ' A' ' 13' ' ' ARG . 1.7 t80 -64.59 -37.43 87.55 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.844 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 113' ' ' LEU . . . . . 0.419 HD22 ' CB ' ' A' ' 14' ' ' ALA . 0.5 OUTLIER -79.07 -33.05 44.95 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.744 -0.382 . . . . 0.0 111.222 -179.78 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 114' ' ' HIS . . . . . 0.636 ' HA ' HD23 ' B' ' 93' ' ' LEU . 99.3 m-70 -62.42 -34.19 76.28 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 177.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 115' ' ' SER . . . . . 0.412 ' HA ' ' HB2' ' B' ' 118' ' ' GLN . 0.7 OUTLIER -74.6 -40.3 61.66 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.134 178.646 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 116' ' ' VAL . . . . . 0.423 HG11 ' CE1' ' B' ' 117' ' ' PHE . 50.9 t -60.37 -23.33 27.68 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.907 178.424 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 117' ' ' PHE . . . . . 0.498 ' HB3' ' CG1' ' B' ' 89' ' ' VAL . 7.5 m-30 -105.59 -20.87 13.33 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.534 -179.687 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 118' ' ' GLN . . . . . 0.412 ' HB2' ' HA ' ' B' ' 115' ' ' SER . 0.0 OUTLIER -72.97 -30.69 64.02 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.742 0.306 . . . . 0.0 111.276 -179.655 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -42.93 130.16 4.33 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.794 -179.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -71.15 -48.69 50.43 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.671 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -55.87 -33.85 64.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.37 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . 0.417 ' O ' HD13 ' B' ' 126' ' ' LEU . 39.9 tp -55.67 -49.25 73.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 109.916 179.566 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 123' ' ' HIS . . . . . 0.67 ' HA ' ' CD1' ' B' ' 126' ' ' LEU . 23.4 m170 -52.11 -27.41 14.04 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.184 179.04 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 7.2 m -77.02 -32.67 57.25 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.019 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . 0.415 ' CD1' ' HA ' ' B' ' 122' ' ' LEU . 20.5 mt -65.86 -41.34 91.78 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.991 179.724 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . 0.67 ' CD1' ' HA ' ' B' ' 123' ' ' HIS . 0.4 OUTLIER -73.05 -45.14 59.18 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.265 -179.705 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.03 -46.55 82.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.932 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . 0.426 HD21 ' CD2' ' C' ' 59' ' ' TYR . 21.9 mt -70.83 -43.61 68.19 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.152 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 129' ' ' TYR . . . . . 0.467 ' CE1' ' CB ' ' A' ' 46' ' ' SER . 0.2 OUTLIER -55.72 -51.63 66.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.125 -179.518 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 130' ' ' ASP . . . . . 0.402 ' CB ' HD22 ' B' ' 82' ' ' LEU . 25.2 m-20 -76.11 -21.77 56.28 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.268 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 8.0 mmtt -70.51 -46.07 64.4 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.803 0.335 . . . . 0.0 110.859 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 2.7 mt -74.97 -37.94 42.25 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 CA-C-O 120.99 0.424 . . . . 0.0 110.94 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 133' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -63.77 -28.68 70.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.052 -179.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 62.4 m -86.06 5.57 32.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.593 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.4 -40.89 4.77 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.967 0.413 . . . . 0.0 110.923 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.904 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 110.364 -0.236 . . . . 0.0 110.364 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 4.3 mmpt? -65.66 -32.6 74.26 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 121.047 0.451 . . . . 0.0 109.934 179.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 51.8 mm-40 -78.22 -30.81 49.03 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.746 178.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -81.29 -29.9 34.15 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.612 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 5.9 p -76.82 -37.23 56.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.248 179.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 12' ' ' GLN . . . . . 0.424 ' O ' ' CG ' ' C' ' 16' ' ' HIS . 0.8 OUTLIER -73.09 -41.92 63.56 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.189 179.399 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 16.0 ttt180 -72.21 -24.95 61.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.937 178.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 14' ' ' ALA . . . . . 0.445 ' O ' HD21 ' D' ' 113' ' ' LEU . . . -78.65 -53.73 6.85 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.7 178.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 15' ' ' LEU . . . . . 0.499 ' CD2' ' HB3' ' C' ' 44' ' ' PHE . 0.4 OUTLIER -66.72 -24.64 66.26 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.654 179.551 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 16' ' ' HIS . . . . . 0.424 ' CG ' ' O ' ' C' ' 12' ' ' GLN . 15.2 m170 -73.33 -46.87 46.84 Favored 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 178.48 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . 0.446 ' CD2' ' CE1' ' C' ' 21' ' ' TYR . 1.4 mt -62.14 -37.58 85.69 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.176 178.45 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . 0.45 ' HB2' ' CD1' ' C' ' 41' ' ' ILE . 43.0 mt -61.38 -40.65 95.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.831 -1.077 . . . . 0.0 110.567 179.537 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -62.3 -47.74 82.96 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.635 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -70.67 -31.17 67.98 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.878 179.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 21' ' ' TYR . . . . . 0.591 ' O ' ' HB2' ' C' ' 25' ' ' LEU . 5.8 m-30 -67.76 -46.74 71.2 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.5 179.595 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 22' ' ' ARG . . . . . 0.414 ' HG3' ' N ' ' C' ' 23' ' ' SER . 0.2 OUTLIER -62.21 -38.97 91.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.877 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 23' ' ' SER . . . . . 0.414 ' N ' ' HG3' ' C' ' 22' ' ' ARG . 0.3 OUTLIER -63.82 -38.55 91.53 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.781 179.932 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 24' ' ' LYS . . . . . . . . . . . . . 6.2 ptmt -90.39 -18.79 24.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.445 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 25' ' ' LEU . . . . . 0.591 ' HB2' ' O ' ' C' ' 21' ' ' TYR . 0.2 OUTLIER -73.0 -65.26 0.82 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.087 0.47 . . . . 0.0 110.834 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 26' ' ' SER . . . . . 0.484 ' HB3' ' HB2' ' C' ' 34' ' ' ARG . 4.0 p -60.85 -149.44 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.055 -179.665 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 27' ' ' GLN . . . . . 0.413 ' OE1' ' NH1' ' C' ' 31' ' ' ARG . 0.0 OUTLIER 47.7 27.86 1.15 Allowed 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.552 -0.294 . . . . 0.0 111.152 179.846 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 28' ' ' THR . . . . . 0.466 ' CG2' ' N ' ' C' ' 29' ' ' GLU . 6.4 t -150.8 -55.86 0.16 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.656 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 29' ' ' GLU . . . . . 0.466 ' N ' ' CG2' ' C' ' 28' ' ' THR . 13.2 pt-20 -177.59 26.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.648 -179.61 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 30' ' ' ASP . . . . . 0.42 ' CB ' HD22 ' C' ' 25' ' ' LEU . 2.0 m-20 -145.78 54.24 1.17 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.13 0.49 . . . . 0.0 110.854 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . 0.413 ' NH1' ' OE1' ' C' ' 27' ' ' GLN . 11.7 mmm180 -64.56 -46.47 82.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.135 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -58.34 -49.06 78.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.948 179.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 33' ' ' LEU . . . . . 0.406 ' CG ' HD13 ' C' ' 25' ' ' LEU . 13.4 tp -54.01 -35.87 62.37 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.138 179.102 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 34' ' ' ARG . . . . . 0.484 ' HB2' ' HB3' ' C' ' 26' ' ' SER . 5.0 ttp180 -60.5 -42.29 96.05 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.284 178.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 29.7 t -60.83 -33.48 73.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.238 179.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 36' ' ' SER . . . . . 0.464 ' CB ' ' NE2' ' D' ' 91' ' ' GLN . 67.5 m -68.27 -51.51 44.19 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 121.197 0.523 . . . . 0.0 110.329 179.439 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 37' ' ' ILE . . . . . 0.584 ' O ' HG12 ' C' ' 41' ' ' ILE . 36.5 mt -58.81 -40.16 79.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.826 -0.624 . . . . 0.0 109.713 179.003 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.03 -52.06 65.48 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.982 -1.008 . . . . 0.0 112.031 -179.7 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 39' ' ' ARG . . . . . 0.55 ' HG3' ' HB2' ' D' ' 88' ' ' ALA . 6.5 ptp180 -57.25 -33.76 67.92 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.483 -0.487 . . . . 0.0 110.263 -179.627 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . 0.415 ' O ' ' HB2' ' C' ' 44' ' ' PHE . 64.6 t -67.24 -34.95 72.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 178.282 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 41' ' ' ILE . . . . . 0.584 HG12 ' O ' ' C' ' 37' ' ' ILE . 20.1 mm -61.37 -58.9 5.46 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.108 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.289 179.474 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 11.5 t -56.17 -47.89 77.42 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-O 120.978 0.418 . . . . 0.0 110.684 -179.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 43' ' ' ILE . . . . . 0.408 HD13 HG23 ' C' ' 43' ' ' ILE . 21.4 mt -59.7 -32.65 49.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.84 178.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 44' ' ' PHE . . . . . 0.499 ' HB3' ' CD2' ' C' ' 15' ' ' LEU . 0.4 OUTLIER -72.46 -59.52 2.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.947 179.813 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 45' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -79.45 0.2 30.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.995 -178.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 46' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.06 168.66 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.823 0.345 . . . . 0.0 111.21 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -79.56 -47.92 14.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.177 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' D' ' 129' ' ' TYR . 0.4 OUTLIER -66.91 -42.66 85.04 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.536 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 49' ' ' PHE . . . . . 0.413 ' CE2' HD13 ' C' ' 53' ' ' ILE . 8.9 t80 -50.81 -56.16 13.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.352 -179.442 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -54.19 -39.8 66.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.826 0.346 . . . . 0.0 110.718 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.45 -47.33 85.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.886 179.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 52' ' ' LEU . . . . . 0.425 ' CD1' ' N ' ' D' ' 129' ' ' TYR . 0.6 OUTLIER -62.6 -47.91 81.73 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.556 179.699 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 53' ' ' ILE . . . . . 0.413 HD13 ' CE2' ' C' ' 49' ' ' PHE . 18.8 mt -54.51 -31.27 22.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.448 179.605 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.86 -41.23 68.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.217 179.299 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 55' ' ' ILE . . . . . 0.421 HG21 ' CD1' ' C' ' 59' ' ' TYR . 63.7 mt -61.39 -35.2 64.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.629 179.479 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.62 -21.61 4.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.533 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 57' ' ' GLU . . . . . 0.407 ' O ' ' CD2' ' C' ' 58' ' ' PHE . 12.7 pt-20 -43.89 -41.16 5.01 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-O 120.799 0.333 . . . . 0.0 111.531 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 58' ' ' PHE . . . . . 0.407 ' CD2' ' O ' ' C' ' 57' ' ' GLU . 89.2 m-85 -157.51 39.2 0.29 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.429 -179.76 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 59' ' ' TYR . . . . . 0.426 ' CD2' HD21 ' B' ' 128' ' ' LEU . 55.2 m-85 -136.84 81.91 1.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.572 179.533 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.54 90.28 0.54 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.202 -179.677 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 61' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -73.0 102.56 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.979 0.419 . . . . 0.0 110.596 179.458 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 62' ' ' THR . . . . . . . . . . . . . 1.2 m -90.8 115.01 27.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.167 -179.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 63' ' ' LEU . . . . . 0.427 HD13 ' CZ ' ' A' ' 59' ' ' TYR . 0.5 OUTLIER -83.16 139.79 32.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.144 179.121 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 64' ' ' LEU . . . . . 0.499 ' CD2' ' N ' ' C' ' 64' ' ' LEU . 0.1 OUTLIER -120.1 -40.73 2.69 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 -179.285 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 65' ' ' ASP . . . . . 0.428 ' HB2' ' CE1' ' A' ' 58' ' ' PHE . 0.3 OUTLIER -161.28 21.04 0.12 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.295 0.479 . . . . 0.0 112.295 -179.268 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 66' ' ' ASN . . . . . 0.42 ' HB2' ' CE1' ' A' ' 59' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.575 0 CA-C-O 120.745 0.307 . . . . 0.0 110.605 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.447 0 N-CA-C 111.887 -0.485 . . . . 0.0 111.887 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 82' ' ' LEU . . . . . 0.54 HD12 ' HB3' ' D' ' 130' ' ' ASP . 4.9 mp -94.33 -19.27 20.81 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.787 0.327 . . . . 0.0 110.704 179.619 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 83' ' ' LEU . . . . . 0.763 ' O ' ' HB3' ' D' ' 87' ' ' ARG . 0.3 OUTLIER -76.0 -41.5 51.0 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.271 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' D' D ' 84' ' ' ALA . . . . . 0.69 ' O ' ' HB3' ' D' ' 88' ' ' ALA . . . -96.5 -16.34 21.18 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.743 -178.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 85' ' ' ALA . . . . . 0.492 ' CB ' ' HB3' ' D' ' 126' ' ' LEU . . . -51.08 -28.14 9.81 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.104 0.478 . . . . 0.0 110.104 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 86' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -121.62 -40.35 2.56 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.573 178.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 87' ' ' ARG . . . . . 0.763 ' HB3' ' O ' ' D' ' 83' ' ' LEU . 32.1 ttt180 -59.55 -54.36 47.43 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.129 178.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 88' ' ' ALA . . . . . 0.69 ' HB3' ' O ' ' D' ' 84' ' ' ALA . . . -56.92 -44.49 82.48 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.749 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 89' ' ' VAL . . . . . 0.464 ' CG1' ' HB3' ' D' ' 117' ' ' PHE . 41.4 t -68.79 -33.26 58.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.796 178.654 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 90' ' ' SER . . . . . 0.423 ' HA ' ' HB2' ' D' ' 93' ' ' LEU . 19.2 t -76.19 -26.17 55.91 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.644 179.343 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 91' ' ' GLN . . . . . 0.537 ' HG3' ' O ' ' D' ' 87' ' ' ARG . 20.6 mt-30 -66.37 -56.99 8.43 Favored 'General case' 0 CA--C 1.515 -0.383 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.241 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 92' ' ' VAL . . . . . 0.502 HG22 ' HA ' ' C' ' 37' ' ' ILE . 4.5 t -65.18 -28.05 43.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.044 179.106 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 93' ' ' LEU . . . . . 0.606 HD23 ' HA ' ' D' ' 114' ' ' HIS . 4.1 mt -68.81 -31.84 71.12 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.399 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.51 -43.55 13.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.887 0.375 . . . . 0.0 111.051 -179.414 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.47 -12.34 59.88 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.778 -179.662 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 96' ' ' LEU . . . . . 0.459 ' O ' ' HB ' ' D' ' 99' ' ' ILE . 0.1 OUTLIER -38.33 -51.83 1.52 Allowed 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.977 0.418 . . . . 0.0 112.05 -179.636 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -69.76 -29.82 67.25 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.174 -179.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 98' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.72 -34.14 73.47 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 177.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 99' ' ' ILE . . . . . 0.526 ' O ' ' OG1' ' D' ' 103' ' ' THR . 42.1 mt -61.9 -49.91 82.28 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.888 0 CA-C-N 114.464 -1.244 . . . . 0.0 109.888 178.61 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 100' ' ' HIS . . . . . 0.51 ' HB2' ' CD1' ' D' ' 110' ' ' LEU . 1.7 t-160 -56.24 -34.72 66.62 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 178.138 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.74 -44.3 73.44 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 114.585 -1.188 . . . . 0.0 111.359 179.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 102' ' ' LEU . . . . . 0.419 HD11 HD21 ' C' ' 25' ' ' LEU . 0.4 OUTLIER -118.38 25.07 10.54 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.801 -177.7 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' D' D ' 103' ' ' THR . . . . . 0.526 ' OG1' ' O ' ' D' ' 99' ' ' ILE . 53.5 p -144.75 -3.49 0.79 Allowed 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 2.1 t70 57.57 20.18 5.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.911 0.386 . . . . 0.0 110.847 -179.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 105' ' ' SER . . . . . 0.441 ' HB2' ' CZ ' ' C' ' 21' ' ' TYR . 11.4 p -80.35 72.93 7.23 Favored 'General case' 0 CA--C 1.512 -0.494 0 CA-C-O 121.68 0.752 . . . . 0.0 109.979 179.228 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 106' ' ' SER . . . . . 0.431 ' C ' ' O ' ' D' ' 105' ' ' SER . 11.3 t -20.45 134.77 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 113.761 -1.563 . . . . 0.0 112.67 -179.416 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -50.78 -25.51 4.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.914 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.12 -55.0 36.08 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 121.13 0.49 . . . . 0.0 110.034 179.418 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 109' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -63.26 -41.29 99.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.645 178.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 110' ' ' LEU . . . . . 0.51 ' CD1' ' HB2' ' D' ' 100' ' ' HIS . 91.7 mt -60.53 -32.97 71.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.189 179.033 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 111' ' ' ASP . . . . . 0.442 ' HA ' ' HD1' ' D' ' 114' ' ' HIS . 9.7 t0 -66.43 -47.14 74.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.811 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 112' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -58.79 -38.33 78.31 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.528 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 113' ' ' LEU . . . . . 0.445 HD21 ' O ' ' C' ' 14' ' ' ALA . 0.5 OUTLIER -76.51 -29.07 56.63 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.041 -179.773 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' D' D ' 114' ' ' HIS . . . . . 0.606 ' HA ' HD23 ' D' ' 93' ' ' LEU . 0.0 OUTLIER -64.45 -34.4 78.1 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.498 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' D' D ' 115' ' ' SER . . . . . 0.42 ' N ' ' CD2' ' D' ' 114' ' ' HIS . 7.7 t -74.95 -37.65 61.91 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 178.447 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 116' ' ' VAL . . . . . 0.406 ' O ' ' CD2' ' D' ' 122' ' ' LEU . 27.2 t -62.79 -23.64 33.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.764 178.292 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 117' ' ' PHE . . . . . 0.464 ' HB3' ' CG1' ' D' ' 89' ' ' VAL . 11.7 m-30 -103.55 -24.54 13.41 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.398 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 118' ' ' GLN . . . . . 0.405 ' OE1' ' CD2' ' D' ' 114' ' ' HIS . 0.0 OUTLIER -71.59 -29.97 65.3 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.819 0.342 . . . . 0.0 111.336 -179.638 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -44.21 119.82 1.94 Allowed 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.593 -179.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 120' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.05 -45.25 93.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.682 179.697 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 121' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -56.47 -34.28 66.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.701 179.633 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 122' ' ' LEU . . . . . 0.406 ' CD2' ' O ' ' D' ' 116' ' ' VAL . 55.4 tp -55.76 -49.12 73.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.398 179.736 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 123' ' ' HIS . . . . . 0.653 ' HA ' ' CD1' ' D' ' 126' ' ' LEU . 0.0 OUTLIER -52.54 -26.57 13.55 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.13 0.49 . . . . 0.0 109.916 179.007 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' D' D ' 124' ' ' THR . . . . . . . . . . . . . 3.2 m -77.44 -34.4 54.53 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.978 179.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 125' ' ' LEU . . . . . 0.403 ' CD1' ' HA ' ' D' ' 122' ' ' LEU . 13.9 mt -67.46 -37.34 82.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.661 179.688 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 126' ' ' LEU . . . . . 0.653 ' CD1' ' HA ' ' D' ' 123' ' ' HIS . 0.4 OUTLIER -73.03 -46.71 50.34 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.109 -179.853 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' D' D ' 127' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -57.44 -53.11 61.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.018 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 128' ' ' LEU . . . . . 0.421 HD21 ' CD2' ' A' ' 59' ' ' TYR . 7.3 mt -68.86 -29.14 67.39 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.501 179.607 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 129' ' ' TYR . . . . . 0.543 ' O ' ' HG ' ' C' ' 48' ' ' LEU . 1.1 t80 -55.3 -53.1 60.38 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.42 -179.168 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 130' ' ' ASP . . . . . 0.54 ' HB3' HD12 ' D' ' 82' ' ' LEU . 3.5 t70 -77.73 -32.24 52.69 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.209 179.635 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 131' ' ' LYS . . . . . . . . . . . . . 9.6 mmtp -54.54 -52.95 60.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.27 -179.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 132' ' ' ILE . . . . . . . . . . . . . 4.0 mt -77.6 -38.36 25.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.903 0.382 . . . . 0.0 110.85 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 133' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 -66.45 -25.85 66.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.277 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 134' ' ' THR . . . . . . . . . . . . . 85.2 m -95.0 -30.12 14.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.352 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 135' ' ' LYS . . . . . . . . . . . . . 1.4 mttp -59.99 -62.58 1.77 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.056 0.455 . . . . 0.0 111.19 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 136' ' ' SER . . . . . . . . . . . . . 3.6 m . . . . . 0 C--N 1.326 -0.428 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.146 -179.867 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.6 mtm-85 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.14 -38.31 90.6 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 121.079 0.466 . . . . 0.0 109.749 179.157 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 54.4 mm-40 -77.52 -29.59 52.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.079 179.124 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -78.77 -29.43 45.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.989 179.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.46 HG23 ' CE2' ' A' ' 44' ' ' PHE . 52.3 m -73.16 -49.23 29.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.408 179.673 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -69.72 -33.51 72.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.89 0.376 . . . . 0.0 110.143 179.544 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.94 -24.22 55.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.957 178.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.458 ' O ' HD21 ' B' ' 113' ' ' LEU . . . -78.43 -54.9 5.68 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.554 178.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.618 ' HB3' ' CD2' ' A' ' 44' ' ' PHE . 0.3 OUTLIER -62.95 -26.37 68.79 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.749 179.352 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 9.3 m170 -73.33 -44.94 57.93 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 178.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.421 HD22 ' CZ ' ' A' ' 21' ' ' TYR . 2.8 mt -62.59 -38.45 90.18 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.738 178.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.425 ' HB3' ' CG2' ' A' ' 37' ' ' ILE . 12.5 mt -63.58 -40.27 96.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.627 179.532 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -60.61 -44.66 96.05 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.15 0.5 . . . . 0.0 110.635 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -69.11 -29.49 67.57 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.801 179.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.622 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 21.6 m-30 -72.04 -48.6 43.24 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.595 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.6 ptt85 -55.58 -39.46 70.73 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.855 0.359 . . . . 0.0 110.178 179.33 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.64 -46.34 90.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.576 179.221 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.3 ptmt -98.92 16.19 23.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.91 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.622 ' HB2' ' O ' ' A' ' 21' ' ' TYR . 0.0 OUTLIER -111.3 -66.26 1.1 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.736 0.303 . . . . 0.0 111.334 -179.385 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.494 ' HB2' ' HB2' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -63.88 -14.92 57.3 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.156 -0.474 . . . . 0.0 112.226 -178.735 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.425 ' OE1' ' NH1' ' A' ' 31' ' ' ARG . 0.2 OUTLIER -76.14 57.28 1.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.858 0.361 . . . . 0.0 110.918 -179.735 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.475 ' CG2' ' H ' ' A' ' 29' ' ' GLU . 9.0 t -176.38 -58.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.835 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.475 ' H ' ' CG2' ' A' ' 28' ' ' THR . 12.0 pt-20 -170.76 28.78 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.07 -0.513 . . . . 0.0 112.202 -178.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.452 ' CB ' HD23 ' A' ' 25' ' ' LEU . 0.5 OUTLIER -137.45 43.76 2.29 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.853 0.359 . . . . 0.0 111.459 -179.878 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.468 ' HA ' ' HB2' ' A' ' 26' ' ' SER . 18.0 mmm180 -55.54 -49.41 72.74 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-O 121.179 0.514 . . . . 0.0 110.311 179.49 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -56.0 -46.65 78.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.841 179.076 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.437 ' CD2' ' HB2' ' B' ' 95' ' ' SER . 4.1 tp -54.65 -32.15 58.62 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.852 178.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.494 ' HB2' ' HB2' ' A' ' 26' ' ' SER . 0.2 OUTLIER -60.66 -48.11 83.24 Favored 'General case' 0 CA--C 1.513 -0.451 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 178.529 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.34 -36.37 63.74 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.867 179.032 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.461 ' O ' ' HB2' ' A' ' 39' ' ' ARG . 1.4 m -67.31 -51.24 54.93 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.234 0.54 . . . . 0.0 109.901 178.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.524 ' O ' HG12 ' A' ' 41' ' ' ILE . 56.6 mt -56.09 -40.97 67.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.938 -0.573 . . . . 0.0 109.621 178.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -59.11 -39.99 83.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.507 179.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.507 ' CB ' ' HB3' ' B' ' 88' ' ' ALA . 6.9 mtt180 -55.56 -53.56 54.91 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 121.322 0.582 . . . . 0.0 109.871 179.181 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.475 ' O ' ' CD1' ' A' ' 44' ' ' PHE . 42.1 t -59.89 -32.36 49.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.895 -179.765 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.524 HG12 ' O ' ' A' ' 37' ' ' ILE . 4.3 mm -71.02 -49.88 46.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 C-N-CA 120.897 -0.321 . . . . 0.0 111.135 179.563 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.6 p -65.35 -48.26 73.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.839 0.352 . . . . 0.0 110.953 -179.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.446 HG21 HD13 ' A' ' 43' ' ' ILE . 5.4 mt -59.89 -34.55 56.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.335 179.445 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.618 ' CD2' ' HB3' ' A' ' 15' ' ' LEU . 3.9 m-85 -72.23 -54.04 10.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.676 178.818 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.478 ' HG3' ' O ' ' A' ' 41' ' ' ILE . 39.2 mt-30 -56.55 -46.22 80.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.773 -179.292 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.477 ' CB ' ' CE1' ' B' ' 129' ' ' TYR . 0.1 OUTLIER -27.91 113.71 0.07 Allowed 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.856 -179.317 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -47.84 -27.28 2.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.932 -179.319 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.411 ' HG ' ' HA ' ' B' ' 129' ' ' TYR . 1.8 tp -72.12 -48.25 45.1 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 120.678 -0.409 . . . . 0.0 109.907 179.603 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.429 ' CZ ' HD23 ' B' ' 126' ' ' LEU . 52.6 t80 -52.02 -40.26 60.78 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.98 179.158 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.41 ' OE1' ' N ' ' A' ' 50' ' ' GLN . 4.7 mp0 -63.85 -41.06 97.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.033 178.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.68 -48.04 82.45 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.797 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.425 ' CD1' ' N ' ' B' ' 129' ' ' TYR . 0.8 OUTLIER -57.55 -45.21 85.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.949 0.404 . . . . 0.0 110.36 179.528 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 77.1 mt -55.35 -38.05 46.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.396 179.227 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -73.95 -38.0 64.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.709 179.23 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.446 HG23 HD11 ' A' ' 55' ' ' ILE . 64.7 mt -62.07 -46.15 97.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.214 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -51.1 -22.32 2.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.627 -179.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -46.7 -35.66 6.31 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.74 0.305 . . . . 0.0 111.145 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.424 ' CG ' ' HB2' ' C' ' 65' ' ' ASP . 59.6 m-85 -151.7 27.79 0.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.239 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.441 ' CE2' ' CD1' ' C' ' 63' ' ' LEU . 54.1 m-85 -134.51 71.79 1.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.474 179.767 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.412 ' HB2' ' HB ' ' C' ' 62' ' ' THR . 2.2 mt-10 -58.97 94.71 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.783 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -72.59 103.66 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.009 0.433 . . . . 0.0 110.957 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.439 ' HB ' ' HB2' ' C' ' 60' ' ' GLU . 1.9 m -85.25 112.92 21.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.652 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.449 ' CD1' ' CE2' ' C' ' 59' ' ' TYR . 0.2 OUTLIER -88.34 132.21 34.51 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.785 -179.844 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.47 ' N ' ' CD2' ' A' ' 64' ' ' LEU . 0.1 OUTLIER -113.51 -27.74 7.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.004 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.433 ' HB2' ' CG ' ' C' ' 58' ' ' PHE . 46.3 t0 -83.42 0.57 45.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.351 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 13.2 p-10 . . . . . 0 C--N 1.331 -0.206 0 CA-C-O 120.644 0.259 . . . . 0.0 111.343 -179.972 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.509 -0.337 0 N-CA-C 110.381 -1.088 . . . . 0.0 110.381 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . 0.46 ' HA ' ' CB ' ' B' ' 130' ' ' ASP . 8.8 tt -98.66 -21.19 16.56 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 114.511 -0.844 . . . . 0.0 110.111 179.189 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . 0.577 ' O ' ' HB3' ' B' ' 87' ' ' ARG . 0.5 OUTLIER -75.18 -39.72 59.98 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.093 -0.958 . . . . 0.0 111.385 -179.352 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . 0.538 ' N ' ' CD2' ' B' ' 83' ' ' LEU . . . -65.4 -26.18 67.88 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.064 -178.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 85' ' ' ALA . . . . . 0.597 ' CB ' ' HB3' ' B' ' 126' ' ' LEU . . . -53.35 -25.16 14.2 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.055 0.455 . . . . 0.0 110.262 179.231 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -124.67 -45.22 1.92 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.785 178.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 87' ' ' ARG . . . . . 0.577 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 8.8 ttt180 -58.5 -46.73 86.1 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.314 179.014 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . 0.507 ' HB3' ' CB ' ' A' ' 39' ' ' ARG . . . -65.06 -41.19 95.37 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.906 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 89' ' ' VAL . . . . . 0.437 ' CG1' ' CD1' ' B' ' 117' ' ' PHE . 46.2 t -68.62 -36.65 75.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.649 179.44 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 11.5 t -76.04 -41.06 51.99 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.515 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 91' ' ' GLN . . . . . 0.479 ' NE2' ' HA ' ' B' ' 88' ' ' ALA . 7.7 pt20 -66.67 -49.24 66.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.186 0.517 . . . . 0.0 109.676 179.779 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 46.8 t -64.89 -28.03 43.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.31 177.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . 0.626 HD21 ' HA ' ' B' ' 114' ' ' HIS . 1.7 mt -60.94 -45.99 92.48 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.353 179.543 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -76.12 -25.68 55.61 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.957 -179.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 95' ' ' SER . . . . . 0.437 ' HB2' ' CD2' ' A' ' 33' ' ' LEU . 9.7 p -79.02 -27.51 43.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.642 -179.714 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . 0.461 ' O ' ' HB ' ' B' ' 99' ' ' ILE . 0.2 OUTLIER -37.43 -52.3 1.13 Allowed 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 112.589 0.588 . . . . 0.0 112.589 -179.332 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -69.46 -29.53 67.24 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.152 -179.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' B' ' 95' ' ' SER . 0.1 OUTLIER -69.64 -34.69 74.39 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 177.898 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 99' ' ' ILE . . . . . 0.508 ' O ' HG23 ' B' ' 103' ' ' THR . 39.6 mt -61.99 -49.23 84.99 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.819 0 CA-C-N 114.471 -1.241 . . . . 0.0 109.852 178.444 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . 0.5 ' HB2' ' CD1' ' B' ' 110' ' ' LEU . 1.7 t-160 -56.46 -33.9 66.35 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 178.084 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -56.56 -45.32 81.31 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.494 -1.23 . . . . 0.0 111.993 179.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 102' ' ' LEU . . . . . 0.408 HD11 HD22 ' A' ' 25' ' ' LEU . 0.4 OUTLIER -117.32 30.22 7.43 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 -177.257 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 103' ' ' THR . . . . . 0.508 HG23 ' O ' ' B' ' 99' ' ' ILE . 40.8 p -146.87 -32.58 0.31 Allowed 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.994 -0.283 . . . . 0.0 111.529 179.568 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 69.42 27.44 4.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.066 0.46 . . . . 0.0 110.486 -179.558 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 105' ' ' SER . . . . . 0.421 ' HB3' ' CE1' ' A' ' 21' ' ' TYR . 27.4 m -51.4 -76.98 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.835 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 168.28 104.8 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.509 179.757 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 66.5 tt0 -48.08 -32.87 7.34 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.929 0.395 . . . . 0.0 110.638 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.46 -47.19 73.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.796 179.071 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -63.98 -36.62 84.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.85 179.039 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 110' ' ' LEU . . . . . 0.5 ' CD1' ' HB2' ' B' ' 100' ' ' HIS . 17.1 mt -59.8 -44.93 93.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.07 179.091 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 111' ' ' ASP . . . . . 0.462 ' HA ' ' HD1' ' B' ' 114' ' ' HIS . 7.1 m-20 -60.79 -41.79 96.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.661 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.66 -39.83 81.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.575 179.728 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 113' ' ' LEU . . . . . 0.458 HD21 ' O ' ' A' ' 14' ' ' ALA . 0.5 OUTLIER -74.58 -31.78 62.17 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.977 -179.894 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 114' ' ' HIS . . . . . 0.626 ' HA ' HD21 ' B' ' 93' ' ' LEU . 0.0 OUTLIER -61.38 -34.74 75.84 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 178.585 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 115' ' ' SER . . . . . 0.462 ' N ' ' CD2' ' B' ' 114' ' ' HIS . 0.6 OUTLIER -75.12 -37.44 61.43 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 178.48 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 116' ' ' VAL . . . . . 0.403 ' O ' ' CD2' ' B' ' 122' ' ' LEU . 38.7 t -62.47 -23.83 33.47 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.027 178.564 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 117' ' ' PHE . . . . . 0.437 ' CD1' ' CG1' ' B' ' 89' ' ' VAL . 25.0 m-85 -102.95 -29.09 11.63 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.22 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.86 -31.17 71.97 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.832 0.349 . . . . 0.0 111.113 -179.539 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -45.75 121.46 3.14 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.456 -179.596 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 5.2 tp60 -66.29 -43.46 86.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.849 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -55.74 -33.87 64.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.804 179.721 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . 0.403 ' CD2' ' O ' ' B' ' 116' ' ' VAL . 33.2 tp -55.82 -47.43 77.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.613 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 123' ' ' HIS . . . . . 0.452 ' HA ' ' CD1' ' B' ' 126' ' ' LEU . 0.0 OUTLIER -55.98 -25.75 45.33 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 179.18 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 124' ' ' THR . . . . . 0.434 ' N ' ' CD2' ' B' ' 123' ' ' HIS . 1.3 m -74.39 -37.51 63.38 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 178.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 3.4 mt -73.14 -32.45 64.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.364 178.12 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . 0.597 ' HB3' ' CB ' ' B' ' 85' ' ' ALA . 8.7 mt -73.27 -50.43 22.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.071 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -66.17 -39.04 89.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.996 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . 0.433 ' CD2' ' CD2' ' C' ' 59' ' ' TYR . 84.4 mt -72.73 -34.07 66.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.497 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 129' ' ' TYR . . . . . 0.477 ' CE1' ' CB ' ' A' ' 46' ' ' SER . 0.3 OUTLIER -60.41 -51.98 67.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.734 -179.636 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 130' ' ' ASP . . . . . 0.46 ' CB ' ' HA ' ' B' ' 82' ' ' LEU . 35.9 m-20 -76.42 -27.49 56.28 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.331 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 18.1 mttp -59.58 -51.89 67.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.757 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 132' ' ' ILE . . . . . 0.404 ' HB ' HD21 ' A' ' 48' ' ' LEU . 3.0 mt -73.46 -38.39 52.77 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.527 179.651 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 133' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -59.52 -30.12 68.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.774 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 90.6 m -81.4 -31.69 33.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -79.31 -34.01 42.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.219 0 N-CA-C 110.511 -0.181 . . . . 0.0 110.511 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 12.7 mtmt -67.68 -31.89 72.18 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.031 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 58.0 mm-40 -80.65 -32.02 36.27 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.188 179.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.55 -30.06 33.25 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.955 0.407 . . . . 0.0 110.21 179.702 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 21.6 p -73.04 -42.3 63.27 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.808 179.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 12' ' ' GLN . . . . . 0.509 ' O ' ' HB2' ' C' ' 16' ' ' HIS . 0.6 OUTLIER -69.04 -48.4 62.95 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.18 179.196 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -63.54 -24.98 68.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.991 179.135 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 14' ' ' ALA . . . . . 0.453 ' O ' HD23 ' D' ' 113' ' ' LEU . . . -78.39 -52.52 8.45 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.717 179.06 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 15' ' ' LEU . . . . . 0.478 ' CD2' ' HB3' ' C' ' 44' ' ' PHE . 0.4 OUTLIER -66.42 -28.39 68.58 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.011 179.753 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 16' ' ' HIS . . . . . 0.509 ' HB2' ' O ' ' C' ' 12' ' ' GLN . 0.1 OUTLIER -72.24 -45.09 61.68 Favored 'General case' 0 CA--C 1.519 -0.224 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 178.502 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . 0.452 ' CD2' ' CZ ' ' C' ' 21' ' ' TYR . 1.5 mt -62.55 -38.57 90.54 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.266 178.6 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . 0.455 ' HB2' ' CD1' ' C' ' 41' ' ' ILE . 36.3 mt -61.03 -43.15 99.32 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.815 -1.084 . . . . 0.0 110.831 179.702 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . 0.408 ' HA ' ' HD3' ' C' ' 22' ' ' ARG . 2.0 mt-10 -62.09 -42.34 99.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.982 -179.779 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -72.8 -32.87 65.87 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.231 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 21' ' ' TYR . . . . . 0.598 ' O ' ' HB2' ' C' ' 25' ' ' LEU . 17.1 m-30 -70.3 -47.21 62.18 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.658 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 22' ' ' ARG . . . . . 0.43 ' HB2' ' HB2' ' C' ' 34' ' ' ARG . 0.4 OUTLIER -58.24 -45.4 87.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.912 179.859 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 23' ' ' SER . . . . . 0.419 ' N ' ' HG3' ' C' ' 22' ' ' ARG . 4.3 m -59.35 -41.63 89.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.579 179.651 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 24' ' ' LYS . . . . . 0.432 ' HG3' ' HB ' ' D' ' 103' ' ' THR . 9.8 ptmt -91.08 1.68 56.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.198 179.636 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 25' ' ' LEU . . . . . 0.598 ' HB2' ' O ' ' C' ' 21' ' ' TYR . 0.1 OUTLIER -87.97 -69.82 0.67 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.96 0.409 . . . . 0.0 111.153 -179.63 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 26' ' ' SER . . . . . 0.751 ' OG ' ' HB3' ' C' ' 34' ' ' ARG . 69.5 m -62.94 -153.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.087 -179.152 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 27' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 60.39 21.02 10.62 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-O 120.961 0.41 . . . . 0.0 109.985 -179.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 28' ' ' THR . . . . . 0.481 ' CG2' ' H ' ' C' ' 29' ' ' GLU . 8.3 t -144.62 -57.85 0.36 Allowed 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.002 -179.389 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 29' ' ' GLU . . . . . 0.481 ' H ' ' CG2' ' C' ' 28' ' ' THR . 16.4 pt-20 -177.61 28.45 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.721 -179.343 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -149.48 53.26 0.95 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.994 0.426 . . . . 0.0 110.761 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . 0.501 ' HA ' ' HG ' ' C' ' 26' ' ' SER . 13.7 mmm180 -63.6 -53.37 52.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.867 -179.787 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.46 -36.5 71.52 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.593 179.702 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 33' ' ' LEU . . . . . 0.427 HD12 ' CB ' ' D' ' 95' ' ' SER . 1.1 tp -60.12 -48.87 79.91 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.322 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 34' ' ' ARG . . . . . 0.751 ' HB3' ' OG ' ' C' ' 26' ' ' SER . 0.0 OUTLIER -61.41 -29.74 70.12 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 179.203 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 1.7 t -59.68 -42.97 94.12 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.428 178.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 36' ' ' SER . . . . . 0.431 ' O ' ' CG ' ' C' ' 39' ' ' ARG . 11.3 p -62.58 -42.31 99.48 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 178.484 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 37' ' ' ILE . . . . . 0.56 ' O ' HG12 ' C' ' 41' ' ' ILE . 40.6 mt -59.82 -41.66 86.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 178.306 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -58.6 -53.26 60.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 114.764 -1.107 . . . . 0.0 111.396 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 39' ' ' ARG . . . . . 0.625 ' HG3' ' HB2' ' D' ' 88' ' ' ALA . 4.2 ptp85 -55.91 -34.37 65.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.874 0.369 . . . . 0.0 110.05 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . 0.479 ' O ' ' HB2' ' C' ' 44' ' ' PHE . 59.7 t -68.79 -30.24 46.35 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.844 178.435 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 41' ' ' ILE . . . . . 0.56 HG12 ' O ' ' C' ' 37' ' ' ILE . 20.3 mm -69.34 -60.37 2.55 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.144 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.98 179.371 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 19.8 p -56.7 -46.01 81.47 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.901 0.381 . . . . 0.0 110.384 -179.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 43' ' ' ILE . . . . . 0.475 HG23 HD11 ' C' ' 43' ' ' ILE . 21.5 mt -60.44 -33.16 53.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.803 178.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 44' ' ' PHE . . . . . 0.479 ' HB2' ' O ' ' C' ' 40' ' ' VAL . 0.2 OUTLIER -72.73 -60.06 2.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.839 179.55 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 45' ' ' GLN . . . . . 0.411 ' NE2' HG21 ' C' ' 41' ' ' ILE . 6.2 pt20 -78.39 -2.03 36.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.98 -178.671 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 46' ' ' SER . . . . . 0.407 ' CB ' ' CE1' ' D' ' 129' ' ' TYR . 0.1 OUTLIER -47.66 151.73 0.8 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.813 0.34 . . . . 0.0 111.46 -179.698 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.78 -31.84 70.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.987 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . 0.552 ' CD1' ' HA ' ' D' ' 129' ' ' TYR . 0.3 OUTLIER -77.68 -47.04 20.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.082 179.691 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 49' ' ' PHE . . . . . 0.438 ' CE2' ' CD1' ' C' ' 53' ' ' ILE . 71.1 t80 -50.68 -56.18 13.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.249 -179.44 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -54.45 -39.64 67.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.837 0.351 . . . . 0.0 110.796 179.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.65 -45.28 89.67 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.063 0.459 . . . . 0.0 110.464 179.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 52' ' ' LEU . . . . . 0.42 ' CD1' ' N ' ' D' ' 129' ' ' TYR . 1.5 mt -61.34 -45.21 95.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.003 179.312 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 53' ' ' ILE . . . . . 0.438 ' CD1' ' CE2' ' C' ' 49' ' ' PHE . 54.9 mt -55.55 -31.84 29.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.228 179.125 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.9 -35.94 67.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.173 179.199 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 55' ' ' ILE . . . . . 0.405 ' CG2' ' HB2' ' C' ' 59' ' ' TYR . 56.5 mt -64.1 -50.7 75.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.789 179.573 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 56' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -50.21 -24.88 3.12 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.501 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 57' ' ' GLU . . . . . 0.407 ' O ' ' CD2' ' C' ' 58' ' ' PHE . 3.2 mm-40 -46.66 -29.66 1.97 Allowed 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.869 0.366 . . . . 0.0 110.992 179.77 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 58' ' ' PHE . . . . . 0.433 ' CG ' ' HB2' ' A' ' 65' ' ' ASP . 61.1 m-85 -157.24 27.66 0.3 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.156 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 59' ' ' TYR . . . . . 0.449 ' CE2' ' CD1' ' A' ' 63' ' ' LEU . 47.5 m-85 -137.67 74.58 1.49 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.691 179.7 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 60' ' ' GLU . . . . . 0.439 ' HB2' ' HB ' ' A' ' 62' ' ' THR . 0.7 OUTLIER -57.74 91.83 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.207 -179.847 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 61' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -73.35 99.99 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 120.834 0.349 . . . . 0.0 111.02 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 62' ' ' THR . . . . . 0.412 ' HB ' ' HB2' ' A' ' 60' ' ' GLU . 2.8 m -84.84 119.01 24.84 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.413 179.614 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 63' ' ' LEU . . . . . 0.441 ' CD1' ' CE2' ' A' ' 59' ' ' TYR . 0.2 OUTLIER -91.94 134.54 34.7 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.056 -179.704 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 64' ' ' LEU . . . . . 0.486 ' CD2' ' N ' ' C' ' 64' ' ' LEU . 0.1 OUTLIER -115.77 -29.52 6.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.778 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 65' ' ' ASP . . . . . 0.424 ' HB2' ' CG ' ' A' ' 58' ' ' PHE . 0.2 OUTLIER -90.56 9.71 28.42 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.147 179.782 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 66' ' ' ASN . . . . . . . . . . . . . 10.6 p-10 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.201 -179.923 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.534 0 N-CA-C 109.643 -1.383 . . . . 0.0 109.643 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 82' ' ' LEU . . . . . 0.59 ' CD2' ' N ' ' D' ' 82' ' ' LEU . 0.3 OUTLIER -76.98 -29.15 55.39 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 177.676 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' D' D ' 83' ' ' LEU . . . . . 0.715 ' O ' ' HB3' ' D' ' 87' ' ' ARG . 0.1 OUTLIER -59.12 -53.82 54.01 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 114.839 -1.073 . . . . 0.0 110.688 179.912 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' D' D ' 84' ' ' ALA . . . . . 0.534 ' H ' ' CD2' ' D' ' 83' ' ' LEU . . . -72.18 -22.94 61.21 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.07 -179.294 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 85' ' ' ALA . . . . . 0.46 ' CB ' ' CB ' ' D' ' 126' ' ' LEU . . . -52.75 -25.38 11.0 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.147 0.499 . . . . 0.0 109.854 179.167 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 86' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -127.11 -39.66 1.9 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.08 178.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 87' ' ' ARG . . . . . 0.715 ' HB3' ' O ' ' D' ' 83' ' ' LEU . 12.3 ttt180 -63.75 -40.34 96.47 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.269 179.263 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 88' ' ' ALA . . . . . 0.625 ' HB2' ' HG3' ' C' ' 39' ' ' ARG . . . -68.63 -49.67 57.37 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.682 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 89' ' ' VAL . . . . . 0.515 ' CG1' ' HB3' ' D' ' 117' ' ' PHE . 27.5 t -66.82 -34.71 71.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.349 179.261 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 90' ' ' SER . . . . . 0.459 ' HA ' ' HB2' ' D' ' 93' ' ' LEU . 58.3 m -76.16 -25.49 55.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.697 179.572 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 91' ' ' GLN . . . . . 0.418 ' NE2' ' HG2' ' D' ' 87' ' ' ARG . 10.2 mt-30 -66.81 -54.52 21.68 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-O 121.31 0.576 . . . . 0.0 109.524 179.369 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 92' ' ' VAL . . . . . 0.442 HG21 ' HA ' ' C' ' 37' ' ' ILE . 3.7 t -68.09 -28.06 39.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.945 178.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 93' ' ' LEU . . . . . 0.623 HD23 ' HA ' ' D' ' 114' ' ' HIS . 2.0 mt -66.22 -32.96 74.7 Favored 'General case' 0 C--O 1.23 0.059 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.284 179.707 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -86.29 -44.66 11.94 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.834 0.35 . . . . 0.0 111.355 -179.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 95' ' ' SER . . . . . 0.427 ' CB ' HD12 ' C' ' 33' ' ' LEU . 0.3 OUTLIER -79.98 -13.86 59.02 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.093 -0.503 . . . . 0.0 112.318 -179.284 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' D' D ' 96' ' ' LEU . . . . . 0.47 ' O ' ' HB ' ' D' ' 99' ' ' ILE . 0.2 OUTLIER -39.49 -52.09 2.14 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -179.355 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -68.21 -31.43 70.93 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.232 -179.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 98' ' ' GLU . . . . . 0.402 ' O ' ' CB ' ' D' ' 101' ' ' ALA . 0.1 OUTLIER -69.87 -33.38 72.17 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 178.204 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' D' D ' 99' ' ' ILE . . . . . 0.48 ' O ' ' OG1' ' D' ' 103' ' ' THR . 50.8 mt -63.21 -48.99 84.99 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.811 0 CA-C-N 114.521 -1.218 . . . . 0.0 109.491 178.458 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 100' ' ' HIS . . . . . 0.494 ' HB2' ' CD1' ' D' ' 110' ' ' LEU . 1.7 t-160 -55.43 -34.59 64.58 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 177.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 101' ' ' ALA . . . . . 0.402 ' CB ' ' O ' ' D' ' 98' ' ' GLU . . . -54.97 -46.88 75.11 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 114.445 -1.252 . . . . 0.0 111.582 178.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 102' ' ' LEU . . . . . 0.436 HD12 HD23 ' C' ' 25' ' ' LEU . 0.4 OUTLIER -116.82 35.47 4.59 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.312 -0.858 . . . . 0.0 112.464 -177.836 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' D' D ' 103' ' ' THR . . . . . 0.48 ' OG1' ' O ' ' D' ' 99' ' ' ILE . 49.9 p -152.0 -30.89 0.16 Allowed 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.902 -0.319 . . . . 0.0 111.783 179.796 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 76.64 22.85 1.13 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.008 0.432 . . . . 0.0 110.669 -179.452 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 105' ' ' SER . . . . . 0.44 ' HB3' ' CE1' ' C' ' 21' ' ' TYR . 1.9 p -57.02 -21.64 32.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.917 179.479 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 106' ' ' SER . . . . . 0.408 ' CB ' ' O ' ' D' ' 105' ' ' SER . 4.4 t 81.47 120.85 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.748 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -51.16 -29.17 12.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.124 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.72 -55.11 39.15 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.024 0.44 . . . . 0.0 110.201 179.641 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 109' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -63.19 -35.28 79.78 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.956 179.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 110' ' ' LEU . . . . . 0.494 ' CD1' ' HB2' ' D' ' 100' ' ' HIS . 40.2 mt -63.71 -40.18 96.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.105 179.212 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 111' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -61.45 -44.38 97.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.399 179.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 112' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -58.98 -42.28 89.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.303 179.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 113' ' ' LEU . . . . . 0.453 HD23 ' O ' ' C' ' 14' ' ' ALA . 0.5 OUTLIER -73.06 -31.66 64.55 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.797 -179.797 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' D' D ' 114' ' ' HIS . . . . . 0.623 ' HA ' HD23 ' D' ' 93' ' ' LEU . 36.7 m170 -60.21 -35.4 75.33 Favored 'General case' 0 CA--C 1.518 -0.273 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 177.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 115' ' ' SER . . . . . 0.423 ' HA ' ' HB2' ' D' ' 118' ' ' GLN . 4.7 t -73.81 -39.44 64.08 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.03 178.806 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 116' ' ' VAL . . . . . 0.414 HG13 ' CE1' ' D' ' 117' ' ' PHE . 62.5 t -60.67 -23.49 29.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.91 178.475 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 117' ' ' PHE . . . . . 0.515 ' HB3' ' CG1' ' D' ' 89' ' ' VAL . 7.9 m-30 -106.24 -21.47 13.1 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.393 -179.672 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 118' ' ' GLN . . . . . 0.423 ' HB2' ' HA ' ' D' ' 115' ' ' SER . 0.0 OUTLIER -71.83 -30.44 65.49 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.718 0.294 . . . . 0.0 111.134 -179.745 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -43.48 142.57 1.11 Allowed 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.734 -179.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 120' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -82.79 -48.76 10.45 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.843 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 121' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.7 -34.0 64.69 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.549 179.694 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 122' ' ' LEU . . . . . 0.408 ' CD2' ' O ' ' D' ' 116' ' ' VAL . 43.0 tp -55.8 -49.25 73.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.145 179.656 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 123' ' ' HIS . . . . . 0.639 ' HA ' ' CD1' ' D' ' 126' ' ' LEU . 0.0 OUTLIER -52.31 -27.13 14.08 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.094 179.08 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' D' D ' 124' ' ' THR . . . . . 0.402 ' N ' ' CD2' ' D' ' 123' ' ' HIS . 3.6 m -75.44 -35.25 60.96 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.948 179.243 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 125' ' ' LEU . . . . . 0.4 ' CD1' ' HA ' ' D' ' 122' ' ' LEU . 14.7 mt -65.26 -41.19 94.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.229 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 126' ' ' LEU . . . . . 0.639 ' CD1' ' HA ' ' D' ' 123' ' ' HIS . 0.3 OUTLIER -73.13 -41.42 64.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.263 -179.65 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' D' D ' 127' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.4 -53.25 60.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.862 0.363 . . . . 0.0 111.08 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 128' ' ' LEU . . . . . 0.431 HD23 ' CD2' ' A' ' 59' ' ' TYR . 5.2 mt -70.16 -29.54 66.47 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.323 179.729 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 129' ' ' TYR . . . . . 0.552 ' HA ' ' CD1' ' C' ' 48' ' ' LEU . 3.2 t80 -56.27 -53.53 56.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.515 -179.173 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 130' ' ' ASP . . . . . 0.409 ' HB3' ' CD2' ' D' ' 82' ' ' LEU . 1.7 m-20 -77.51 -29.37 52.41 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.51 -0.313 . . . . 0.0 111.386 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.56 -53.91 48.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.932 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 132' ' ' ILE . . . . . . . . . . . . . 1.8 mt -77.02 -41.8 31.55 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.755 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 133' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -63.01 -25.49 68.41 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.246 -179.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 134' ' ' THR . . . . . . . . . . . . . 88.3 m -94.3 -26.72 16.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.882 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.8 -33.04 46.55 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.163 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 136' ' ' SER . . . . . . . . . . . . . 34.2 m . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.722 -179.976 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.21 0 N-CA-C 110.059 -0.348 . . . . 0.0 110.059 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.98 -37.86 88.95 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 121.157 0.503 . . . . 0.0 109.763 178.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 56.2 mm-40 -73.77 -31.57 63.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.12 179.175 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.31 -34.14 55.46 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.016 179.594 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.3 p -72.95 -47.82 42.17 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.019 179.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.407 ' O ' ' CD2' ' A' ' 16' ' ' HIS . 0.5 OUTLIER -63.6 -34.19 77.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.089 179.54 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.416 ' HD3' ' CZ ' ' B' ' 112' ' ' PHE . 59.3 ttt85 -75.32 -25.48 57.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.106 179.043 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.438 ' CB ' HD21 ' B' ' 113' ' ' LEU . . . -78.38 -55.34 5.31 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 178.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.594 ' HA ' HD13 ' A' ' 18' ' ' LEU . 0.3 OUTLIER -60.37 -28.45 68.21 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.128 179.365 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.407 ' CD2' ' O ' ' A' ' 12' ' ' GLN . 9.6 m-70 -73.99 -45.46 49.82 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.228 0.537 . . . . 0.0 110.038 179.006 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.42 HD22 ' CZ ' ' A' ' 21' ' ' TYR . 2.1 mt -60.65 -49.45 77.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.791 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.594 HD13 ' HA ' ' A' ' 15' ' ' LEU . 0.9 OUTLIER -61.99 -35.27 78.03 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.271 179.811 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.421 ' O ' ' CG ' ' A' ' 22' ' ' ARG . 8.8 mt-10 -58.14 -43.44 87.34 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.183 0.516 . . . . 0.0 110.22 179.286 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.489 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 7.3 mm-40 -69.74 -34.37 73.73 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.892 179.37 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.538 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 22.4 m-30 -66.52 -48.56 69.34 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.804 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.421 ' CG ' ' O ' ' A' ' 19' ' ' GLU . 0.3 OUTLIER -55.47 -42.83 74.89 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 120.781 0.324 . . . . 0.0 110.48 179.742 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.407 ' O ' ' CG ' ' A' ' 27' ' ' GLN . 0.8 OUTLIER -63.55 -32.54 74.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.116 179.475 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.489 ' HG3' ' O ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -114.31 21.69 14.43 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.714 0.292 . . . . 0.0 111.762 -179.736 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.538 ' HB2' ' O ' ' A' ' 21' ' ' TYR . 0.0 OUTLIER -118.14 -55.92 2.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.808 0.337 . . . . 0.0 110.87 -179.715 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.567 ' HB2' ' HA ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -67.85 -12.11 59.98 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.181 -0.463 . . . . 0.0 112.12 -178.944 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.434 ' OE1' ' NH1' ' A' ' 31' ' ' ARG . 2.1 mm100 -79.37 55.57 1.94 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.757 0.313 . . . . 0.0 110.885 -179.719 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.476 HG23 ' HG2' ' A' ' 29' ' ' GLU . 5.8 t -173.42 -54.02 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.822 0.304 . . . . 0.0 111.822 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.476 ' HG2' HG23 ' A' ' 28' ' ' THR . 8.5 pt-20 -175.1 27.64 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.983 -179.307 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.412 ' HB2' HD22 ' A' ' 25' ' ' LEU . 1.3 m-20 -136.77 48.13 2.12 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.018 0.437 . . . . 0.0 111.227 -179.643 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.567 ' HA ' ' HB2' ' A' ' 26' ' ' SER . 25.6 mmm180 -61.55 -46.95 87.75 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.202 0.525 . . . . 0.0 110.149 179.308 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.72 -46.78 86.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.58 178.696 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.43 HD11 ' CB ' ' B' ' 95' ' ' SER . 5.2 tp -54.33 -33.43 58.91 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.872 178.817 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.487 ' HB2' ' CB ' ' A' ' 26' ' ' SER . 0.6 OUTLIER -60.68 -47.24 87.13 Favored 'General case' 0 CA--C 1.513 -0.468 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.273 178.746 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.3 t -55.42 -37.26 67.41 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.171 179.062 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.428 ' HA ' ' HD2' ' A' ' 39' ' ' ARG . 1.5 m -67.89 -51.18 51.0 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.166 0.508 . . . . 0.0 110.029 179.06 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.599 ' O ' HG12 ' A' ' 41' ' ' ILE . 67.0 mt -56.9 -41.63 76.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.796 178.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -60.04 -40.52 89.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.738 179.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.435 ' CB ' ' HB1' ' B' ' 88' ' ' ALA . 7.8 mtt180 -55.49 -51.37 67.2 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 121.266 0.555 . . . . 0.0 109.813 179.37 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.535 ' O ' ' HB2' ' A' ' 44' ' ' PHE . 44.4 t -60.44 -31.45 48.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.536 179.615 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.599 HG12 ' O ' ' A' ' 37' ' ' ILE . 7.2 mm -69.1 -52.6 32.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 N-CA-C 111.76 0.281 . . . . 0.0 111.76 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.4 t -65.7 -48.45 71.95 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.834 0.35 . . . . 0.0 111.19 -179.045 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 8.1 mt -59.65 -33.34 51.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.476 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.559 ' CD2' ' HB3' ' A' ' 15' ' ' LEU . 3.0 m-85 -72.23 -54.9 8.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.919 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.434 ' NE2' HG21 ' A' ' 41' ' ' ILE . 5.7 pt20 -82.26 3.16 28.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 112.096 -178.487 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.43 ' OG ' ' CE1' ' B' ' 129' ' ' TYR . 1.6 t -51.29 145.5 8.11 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.85 0.357 . . . . 0.0 111.092 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -61.63 -36.11 79.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.143 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.499 ' CD2' ' HB ' ' B' ' 132' ' ' ILE . 1.5 tp -77.89 -44.99 25.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.091 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.552 ' HA ' ' CD2' ' A' ' 52' ' ' LEU . 19.1 t80 -50.85 -56.24 13.15 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.905 0.383 . . . . 0.0 111.019 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -57.63 -36.7 72.17 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.07 0.462 . . . . 0.0 110.483 179.578 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.55 -49.22 78.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.701 -0.682 . . . . 0.0 111.831 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.617 ' CD1' ' HA ' ' B' ' 125' ' ' LEU . 0.2 OUTLIER -72.97 -32.79 65.43 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.893 -179.268 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.478 HG21 HD11 ' A' ' 53' ' ' ILE . 54.2 mt -55.44 -38.38 48.66 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 178.11 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -68.37 -43.08 78.18 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.271 178.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.44 HG21 ' CG ' ' A' ' 59' ' ' TYR . 82.9 mt -49.93 -40.37 16.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.637 178.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.98 -23.76 8.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.516 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -48.08 -28.27 2.77 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.837 0.351 . . . . 0.0 111.299 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.404 ' CB ' ' HB2' ' C' ' 65' ' ' ASP . 50.6 m-85 -155.51 25.92 0.4 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.303 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.44 ' CG ' HG21 ' A' ' 55' ' ' ILE . 42.5 m-85 -135.14 82.77 1.98 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.834 179.735 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.22 92.18 0.18 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.907 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -72.77 96.72 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 CA-C-O 120.899 0.38 . . . . 0.0 110.54 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.0 m -83.97 109.06 17.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.607 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.421 HD11 ' CE2' ' C' ' 59' ' ' TYR . 0.2 OUTLIER -86.36 131.88 34.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.731 179.826 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.526 ' CD2' ' N ' ' A' ' 64' ' ' LEU . 0.1 OUTLIER -111.16 -27.82 8.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.887 -179.638 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.431 ' HB2' ' CG ' ' C' ' 58' ' ' PHE . 1.5 m-20 -96.87 11.06 37.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.953 179.611 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.331 -0.225 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.27 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 111.427 -0.669 . . . . 0.0 111.427 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . 0.513 ' HA ' ' CG ' ' B' ' 130' ' ' ASP . 8.5 tt -111.13 -29.5 7.84 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.073 -0.563 . . . . 0.0 110.646 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . 0.639 ' O ' ' HB3' ' B' ' 87' ' ' ARG . 0.7 OUTLIER -66.26 -39.61 89.59 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.18 -0.918 . . . . 0.0 111.621 -179.388 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . 0.554 ' N ' ' CD2' ' B' ' 83' ' ' LEU . . . -70.86 -26.88 63.46 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.797 -178.135 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 85' ' ' ALA . . . . . 0.533 ' CB ' ' HB3' ' B' ' 126' ' ' LEU . . . -53.39 -23.66 10.26 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.942 0.401 . . . . 0.0 110.405 179.434 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -123.62 -43.28 2.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.71 178.506 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 87' ' ' ARG . . . . . 0.639 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 7.2 ttt85 -61.65 -51.58 67.87 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.298 178.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . 0.529 ' HB3' ' CB ' ' B' ' 84' ' ' ALA . . . -60.15 -35.97 76.5 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.495 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 89' ' ' VAL . . . . . 0.444 HG13 ' CD2' ' B' ' 117' ' ' PHE . 55.2 t -59.83 -45.38 94.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.213 179.131 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 6.1 m -70.65 -24.92 62.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.292 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 91' ' ' GLN . . . . . 0.513 HE21 ' HG2' ' B' ' 87' ' ' ARG . 58.4 mt-30 -67.98 -57.52 6.04 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-O 121.308 0.575 . . . . 0.0 109.932 179.732 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 92' ' ' VAL . . . . . 0.45 ' CG1' ' CD2' ' A' ' 18' ' ' LEU . 4.1 t -66.72 -27.85 41.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.088 179.327 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . 0.65 ' CD2' ' HA ' ' B' ' 114' ' ' HIS . 3.8 mt -66.83 -34.66 78.3 Favored 'General case' 0 C--O 1.23 0.077 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.11 179.594 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -89.21 -33.25 17.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.81 0.338 . . . . 0.0 111.355 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 95' ' ' SER . . . . . 0.43 ' CB ' HD11 ' A' ' 33' ' ' LEU . 1.2 m -80.11 -26.1 39.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 112.062 -179.31 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . 0.491 ' O ' ' HB ' ' B' ' 99' ' ' ILE . 0.2 OUTLIER -38.79 -52.16 1.71 Allowed 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 112.55 0.574 . . . . 0.0 112.55 -178.912 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -68.65 -30.32 69.0 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.96 0.409 . . . . 0.0 111.115 -179.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.49 -35.25 75.37 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 177.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 99' ' ' ILE . . . . . 0.491 ' HB ' ' O ' ' B' ' 96' ' ' LEU . 42.9 mt -61.0 -49.05 86.34 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.764 0 CA-C-N 114.323 -1.308 . . . . 0.0 109.646 178.368 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . 0.499 ' HB2' ' CD1' ' B' ' 110' ' ' LEU . 1.6 t-160 -57.17 -33.83 67.84 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 178.268 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -57.14 -44.4 83.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.519 -1.219 . . . . 0.0 112.058 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 102' ' ' LEU . . . . . 0.473 HD11 HD21 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -117.16 26.09 10.02 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 -177.409 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 103' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' B' ' 99' ' ' ILE . 41.2 p -141.42 -32.73 0.53 Allowed 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 121.018 -0.273 . . . . 0.0 111.346 179.483 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 1.1 t70 68.79 27.64 5.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.986 0.422 . . . . 0.0 110.331 -179.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 105' ' ' SER . . . . . 0.424 ' HB3' ' CE1' ' A' ' 21' ' ' TYR . 67.6 m -51.43 -75.72 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.702 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 167.25 104.09 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.418 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -47.15 -33.22 4.96 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.931 0.396 . . . . 0.0 110.495 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.33 -44.43 79.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.553 178.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -62.93 -39.83 95.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.689 178.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 110' ' ' LEU . . . . . 0.499 ' CD1' ' HB2' ' B' ' 100' ' ' HIS . 26.7 mt -59.68 -48.07 83.11 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.589 179.088 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -52.54 -45.11 66.19 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.89 179.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 112' ' ' PHE . . . . . 0.416 ' CZ ' ' HD3' ' A' ' 13' ' ' ARG . 2.4 t80 -58.83 -43.47 90.71 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.692 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 113' ' ' LEU . . . . . 0.438 HD21 ' CB ' ' A' ' 14' ' ' ALA . 0.5 OUTLIER -71.01 -40.02 72.05 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.082 -179.768 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 114' ' ' HIS . . . . . 0.65 ' HA ' ' CD2' ' B' ' 93' ' ' LEU . 99.2 m-70 -56.01 -31.89 63.48 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 178.288 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.64 -37.0 57.04 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 178.321 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 116' ' ' VAL . . . . . 0.442 ' O ' ' CD2' ' B' ' 122' ' ' LEU . 38.4 t -60.29 -28.15 41.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.942 178.655 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 117' ' ' PHE . . . . . 0.493 ' N ' ' HD1' ' B' ' 117' ' ' PHE . 0.6 OUTLIER -96.33 -37.21 10.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.748 -179.859 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 118' ' ' GLN . . . . . 0.404 ' NE2' ' CD1' ' B' ' 93' ' ' LEU . 0.0 OUTLIER -56.56 -31.36 64.12 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.059 -179.735 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -45.67 127.74 7.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.552 -179.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -73.18 -40.1 65.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.681 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -59.34 -35.1 73.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.603 179.761 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . 0.442 ' CD2' ' O ' ' B' ' 116' ' ' VAL . 33.9 tp -56.57 -47.71 78.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.466 179.579 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 123' ' ' HIS . . . . . 0.523 ' HA ' ' CD1' ' B' ' 126' ' ' LEU . 14.0 m170 -55.88 -23.6 32.09 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.097 178.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 3.2 m -78.13 -35.43 49.04 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 178.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . 0.617 ' HA ' ' CD1' ' A' ' 52' ' ' LEU . 19.8 mt -71.97 -31.86 66.69 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.166 -0.924 . . . . 0.0 110.354 179.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . 0.533 ' HB3' ' CB ' ' B' ' 85' ' ' ALA . 5.3 mt -73.02 -46.39 52.3 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.401 -179.431 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -63.24 -46.81 85.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.479 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . 0.465 ' CD2' ' CD2' ' C' ' 59' ' ' TYR . 11.0 mt -66.74 -39.27 87.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.963 0.411 . . . . 0.0 110.978 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 129' ' ' TYR . . . . . 0.463 ' HA ' ' HG ' ' A' ' 48' ' ' LEU . 0.6 OUTLIER -55.47 -47.39 76.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.663 -179.887 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 130' ' ' ASP . . . . . 0.513 ' CG ' ' HA ' ' B' ' 82' ' ' LEU . 0.2 OUTLIER -75.41 -40.17 58.09 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.527 -179.524 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 8.4 tppt? -54.59 -52.08 63.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.599 -179.263 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 132' ' ' ILE . . . . . 0.499 ' HB ' ' CD2' ' A' ' 48' ' ' LEU . 2.4 mt -72.68 -38.62 58.93 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 CA-C-O 120.9 0.381 . . . . 0.0 110.69 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 133' ' ' ASN . . . . . 0.405 ' HB2' HD21 ' A' ' 48' ' ' LEU . 49.1 t30 -59.18 -34.12 71.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.76 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 56.6 m -61.91 -25.89 67.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.033 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 8.4 mttm -110.9 -12.41 14.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.342 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 11.5 t . . . . . 0 C--N 1.33 -0.268 0 CA-C-O 120.697 0.284 . . . . 0.0 111.227 -179.921 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 7' ' ' ARG . . . . . . . . . . . . . 22.4 ttm105 . . . . . 0 N--CA 1.454 -0.25 0 CA-C-O 120.692 0.282 . . . . 0.0 110.45 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.88 -39.25 93.89 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.085 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 48.6 mm-40 -73.82 -25.68 60.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.018 178.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -80.49 -32.64 36.99 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.337 179.583 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.63 -41.59 72.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.451 179.504 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -71.24 -42.86 68.32 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-O 120.923 0.392 . . . . 0.0 110.31 179.571 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 55.5 ttt180 -67.4 -27.03 66.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.806 179.1 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 14' ' ' ALA . . . . . 0.464 ' O ' HD22 ' D' ' 113' ' ' LEU . . . -78.6 -51.9 9.23 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.568 178.805 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 15' ' ' LEU . . . . . 0.529 ' CD2' ' HB3' ' C' ' 44' ' ' PHE . 0.3 OUTLIER -66.11 -29.5 69.82 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.516 179.525 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' C' C ' 16' ' ' HIS . . . . . . . . . . . . . 48.7 t60 -70.77 -44.87 65.8 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 178.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . 0.433 HD23 ' CE1' ' C' ' 21' ' ' TYR . 3.0 mt -62.81 -36.49 83.34 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.153 -0.931 . . . . 0.0 109.348 178.394 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . 0.418 ' HB3' ' CG2' ' C' ' 37' ' ' ILE . 37.1 mt -63.83 -41.98 97.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.44 179.718 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . 0.406 ' HA ' ' HG2' ' C' ' 22' ' ' ARG . 0.2 OUTLIER -59.09 -44.17 91.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.171 0.51 . . . . 0.0 110.647 179.806 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -70.38 -32.41 70.06 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.353 179.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 21' ' ' TYR . . . . . 0.63 ' O ' ' HB2' ' C' ' 25' ' ' LEU . 14.6 m-30 -70.62 -48.46 54.97 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.884 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 22' ' ' ARG . . . . . 0.43 ' HG3' ' N ' ' C' ' 23' ' ' SER . 0.7 OUTLIER -57.84 -38.59 75.93 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.756 0.312 . . . . 0.0 110.516 179.547 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' C' C ' 23' ' ' SER . . . . . 0.43 ' N ' ' HG3' ' C' ' 22' ' ' ARG . 37.3 m -62.11 -43.95 97.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.945 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 24' ' ' LYS . . . . . 0.402 ' O ' HG21 ' D' ' 103' ' ' THR . 10.4 ptmt -98.16 9.86 41.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.773 -179.761 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 25' ' ' LEU . . . . . 0.63 ' HB2' ' O ' ' C' ' 21' ' ' TYR . 0.0 OUTLIER -103.89 -66.68 0.94 Allowed 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -179.152 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' C' C ' 26' ' ' SER . . . . . 0.538 ' CB ' ' HB2' ' C' ' 34' ' ' ARG . 0.0 OUTLIER -64.87 -15.31 61.76 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 -178.422 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' C' C ' 27' ' ' GLN . . . . . 0.441 ' OE1' ' NH1' ' C' ' 31' ' ' ARG . 0.4 OUTLIER -76.76 57.88 1.35 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.939 0.399 . . . . 0.0 110.788 -179.682 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' C' C ' 28' ' ' THR . . . . . 0.494 HG22 ' O ' ' C' ' 25' ' ' LEU . 8.5 t -176.03 -57.61 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.64 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 29' ' ' GLU . . . . . 0.479 ' H ' ' CG2' ' C' ' 28' ' ' THR . 11.9 pt-20 -172.34 29.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.982 -0.554 . . . . 0.0 112.113 -178.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 30' ' ' ASP . . . . . 0.446 ' CB ' HD22 ' C' ' 25' ' ' LEU . 0.4 OUTLIER -138.84 44.95 2.03 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.904 0.383 . . . . 0.0 111.405 -179.857 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . 0.461 ' HA ' ' HB2' ' C' ' 26' ' ' SER . 6.6 mmm180 -54.69 -49.29 71.03 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.277 0.56 . . . . 0.0 110.404 179.518 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 24.8 tp60 -55.25 -44.14 75.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.893 179.025 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 33' ' ' LEU . . . . . 0.454 HD12 ' CB ' ' D' ' 95' ' ' SER . 8.8 tp -57.23 -32.69 66.78 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.931 179.258 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 34' ' ' ARG . . . . . 0.538 ' HB2' ' CB ' ' C' ' 26' ' ' SER . 6.3 ttp180 -60.32 -45.57 92.95 Favored 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 178.312 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 15.9 m -54.79 -38.63 67.54 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.873 -1.058 . . . . 0.0 110.035 178.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 36' ' ' SER . . . . . 0.401 ' HB2' ' NE2' ' D' ' 91' ' ' GLN . 24.6 p -67.38 -51.75 48.27 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.278 179.253 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 37' ' ' ILE . . . . . 0.418 ' CG2' ' HB3' ' C' ' 18' ' ' LEU . 27.3 mt -59.49 -32.27 48.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.822 178.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -66.61 -43.96 83.36 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.655 179.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 39' ' ' ARG . . . . . 0.454 ' HB3' ' CB ' ' D' ' 88' ' ' ALA . 8.5 mtt180 -55.9 -52.42 64.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.081 179.544 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . 0.467 ' O ' ' HB2' ' C' ' 44' ' ' PHE . 8.0 t -60.42 -31.2 48.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.448 -0.797 . . . . 0.0 110.252 179.802 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 41' ' ' ILE . . . . . 0.511 ' O ' ' HG2' ' C' ' 45' ' ' GLN . 1.3 mm -70.22 -58.67 4.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.462 179.606 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 53.7 p -57.59 -48.64 78.82 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-O 121.188 0.518 . . . . 0.0 110.447 -179.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 43' ' ' ILE . . . . . 0.445 HD12 HG23 ' C' ' 43' ' ' ILE . 8.6 mt -59.91 -32.01 48.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.127 178.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 44' ' ' PHE . . . . . 0.529 ' HB3' ' CD2' ' C' ' 15' ' ' LEU . 0.2 OUTLIER -71.86 -58.82 3.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.048 179.798 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' C' C ' 45' ' ' GLN . . . . . 0.511 ' HG2' ' O ' ' C' ' 41' ' ' ILE . 6.5 pt20 -69.25 -9.19 51.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.021 -0.536 . . . . 0.0 112.204 -178.422 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 46' ' ' SER . . . . . 0.444 ' OG ' ' CE1' ' D' ' 129' ' ' TYR . 0.2 OUTLIER -52.33 129.39 28.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.833 0.349 . . . . 0.0 110.652 179.758 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -57.43 -37.95 73.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.633 -179.462 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . 0.41 HD23 ' HB ' ' D' ' 132' ' ' ILE . 1.4 tp -67.14 -46.8 72.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.807 0.336 . . . . 0.0 110.096 179.772 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 49' ' ' PHE . . . . . 0.474 ' CE1' HD22 ' D' ' 126' ' ' LEU . 36.8 t80 -51.55 -39.82 58.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.138 179.41 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 50' ' ' GLN . . . . . 0.424 ' OE1' ' CA ' ' C' ' 50' ' ' GLN . 0.0 OUTLIER -64.61 -42.52 95.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.121 179.3 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.89 -44.12 91.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.843 179.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 52' ' ' LEU . . . . . 0.461 ' CD1' ' N ' ' D' ' 129' ' ' TYR . 2.3 mt -61.71 -46.42 89.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.345 179.452 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 53' ' ' ILE . . . . . 0.475 HG22 HD11 ' C' ' 53' ' ' ILE . 43.4 mt -54.84 -34.57 31.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.357 179.346 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -73.21 -32.7 64.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.238 179.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 55' ' ' ILE . . . . . 0.426 HG23 ' CG ' ' C' ' 59' ' ' TYR . 43.4 mt -65.74 -35.22 74.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.775 179.55 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.76 -23.21 6.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.542 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 57' ' ' GLU . . . . . 0.406 ' O ' ' CD2' ' C' ' 58' ' ' PHE . 77.3 mt-10 -46.72 -37.24 8.15 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.657 -179.672 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 58' ' ' PHE . . . . . 0.431 ' CG ' ' HB2' ' A' ' 65' ' ' ASP . 63.3 m-85 -155.44 38.9 0.39 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.792 0.33 . . . . 0.0 111.738 -179.59 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 59' ' ' TYR . . . . . 0.465 ' CD2' ' CD2' ' B' ' 128' ' ' LEU . 50.0 m-85 -141.15 95.1 2.78 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.758 179.639 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -82.98 88.15 6.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.812 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 61' ' ' VAL . . . . . 0.405 HG23 HG22 ' D' ' 124' ' ' THR . 0.0 OUTLIER -72.6 100.71 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.937 0.399 . . . . 0.0 110.998 -179.884 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' C' C ' 62' ' ' THR . . . . . . . . . . . . . 2.6 m -84.78 112.37 20.45 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.633 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 63' ' ' LEU . . . . . 0.436 HD12 ' CZ ' ' A' ' 59' ' ' TYR . 0.1 OUTLIER -83.78 131.81 34.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.678 179.707 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' C' C ' 64' ' ' LEU . . . . . 0.46 ' CD2' ' N ' ' C' ' 64' ' ' LEU . 0.1 OUTLIER -114.32 -30.9 6.45 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.024 -179.694 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' C' C ' 65' ' ' ASP . . . . . 0.404 ' HB2' ' CB ' ' A' ' 58' ' ' PHE . 0.4 OUTLIER -71.97 -35.74 69.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.614 179.782 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' C' C ' 66' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.515 -0.375 0 CA-C-O 121.418 0.628 . . . . 0.0 110.842 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 109.995 -1.242 . . . . 0.0 109.995 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 82' ' ' LEU . . . . . 0.423 ' HB2' ' HB3' ' D' ' 130' ' ' ASP . 8.8 tt -96.62 -27.13 14.95 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 114.5 -0.85 . . . . 0.0 109.546 178.7 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 83' ' ' LEU . . . . . 0.539 HD22 ' HB3' ' D' ' 84' ' ' ALA . 0.8 OUTLIER -72.42 -38.66 68.32 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-N 114.935 -1.029 . . . . 0.0 110.59 179.898 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' D' D ' 84' ' ' ALA . . . . . 0.841 ' HA ' ' HB2' ' D' ' 87' ' ' ARG . . . -109.45 1.82 20.13 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 115.111 -0.949 . . . . 0.0 112.135 -178.26 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 85' ' ' ALA . . . . . 0.516 ' CB ' ' HB3' ' D' ' 126' ' ' LEU . . . -52.93 -24.85 10.16 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 177.742 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 86' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -118.87 -36.75 3.37 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 114.786 -1.097 . . . . 0.0 109.309 177.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 87' ' ' ARG . . . . . 0.841 ' HB2' ' HA ' ' D' ' 84' ' ' ALA . 1.0 OUTLIER -63.06 -56.55 15.98 Favored 'General case' 0 CA--C 1.521 -0.144 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.368 179.079 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' D' D ' 88' ' ' ALA . . . . . 0.537 ' HA ' ' NE2' ' D' ' 91' ' ' GLN . . . -55.75 -32.49 63.45 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.492 -179.647 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 89' ' ' VAL . . . . . 0.488 ' CG1' ' HB3' ' D' ' 117' ' ' PHE . 68.1 t -68.67 -35.45 70.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.552 178.354 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 1.3 m -75.26 -28.44 59.83 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.78 179.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 91' ' ' GLN . . . . . 0.537 ' NE2' ' HA ' ' D' ' 88' ' ' ALA . 17.7 mt-30 -65.04 -57.22 9.22 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-O 121.31 0.576 . . . . 0.0 109.494 179.199 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 92' ' ' VAL . . . . . . . . . . . . . 11.3 t -65.12 -28.03 43.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.221 179.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 93' ' ' LEU . . . . . 0.595 HD23 ' HA ' ' D' ' 114' ' ' HIS . 2.6 mt -68.17 -32.33 72.51 Favored 'General case' 0 C--O 1.23 0.043 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.371 179.783 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -89.04 -34.56 16.75 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.704 -179.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 95' ' ' SER . . . . . 0.454 ' CB ' HD12 ' C' ' 33' ' ' LEU . 4.2 m -80.09 -20.13 45.84 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.098 0.407 . . . . 0.0 112.098 -179.278 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 96' ' ' LEU . . . . . 0.501 ' O ' ' HB ' ' D' ' 99' ' ' ILE . 0.2 OUTLIER -38.34 -50.56 1.49 Allowed 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -179.3 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 74.4 mt-10 -69.13 -33.23 73.13 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.032 -179.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.64 -34.44 75.73 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 177.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 99' ' ' ILE . . . . . 0.533 HG12 ' HG ' ' C' ' 25' ' ' LEU . 20.6 mt -60.63 -49.27 85.15 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.843 0 CA-C-N 114.453 -1.249 . . . . 0.0 109.94 178.699 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 100' ' ' HIS . . . . . 0.56 ' HB2' ' CD1' ' D' ' 110' ' ' LEU . 12.0 t-160 -54.6 -40.38 68.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 122.137 0.97 . . . . 0.0 108.647 178.17 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 101' ' ' ALA . . . . . . . . . . . . . . . -51.27 -45.89 62.22 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 113.607 -1.633 . . . . 0.0 111.987 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 102' ' ' LEU . . . . . 0.451 HD13 HD21 ' C' ' 25' ' ' LEU . 0.4 OUTLIER -117.3 31.84 6.5 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.744 -0.662 . . . . 0.0 112.747 -177.539 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' D' D ' 103' ' ' THR . . . . . 0.437 HG23 ' O ' ' D' ' 99' ' ' ILE . 31.0 p -150.36 -31.34 0.19 Allowed 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.67 179.465 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 2.6 t70 66.53 28.34 9.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.099 0.476 . . . . 0.0 110.16 -179.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 105' ' ' SER . . . . . 0.417 ' HB2' ' CZ ' ' C' ' 21' ' ' TYR . 1.2 p -48.14 -81.02 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.022 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 106' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 165.56 107.33 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.177 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -48.35 -37.73 17.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.842 0.353 . . . . 0.0 110.88 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.07 -49.0 77.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.091 0.472 . . . . 0.0 109.914 179.246 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 109' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -65.82 -33.36 75.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.884 179.042 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 110' ' ' LEU . . . . . 0.56 ' CD1' ' HB2' ' D' ' 100' ' ' HIS . 99.6 mt -63.36 -43.74 96.78 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.745 -0.662 . . . . 0.0 109.977 179.289 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 111' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.1 -41.23 97.99 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.359 179.62 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 112' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -58.5 -40.95 84.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.22 179.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 113' ' ' LEU . . . . . 0.464 HD22 ' O ' ' C' ' 14' ' ' ALA . 0.5 OUTLIER -73.22 -34.09 65.72 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.61 179.824 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' D' D ' 114' ' ' HIS . . . . . 0.595 ' HA ' HD23 ' D' ' 93' ' ' LEU . 37.7 m170 -57.79 -33.41 68.52 Favored 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 177.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 115' ' ' SER . . . . . 0.415 ' HA ' ' HB2' ' D' ' 118' ' ' GLN . 2.8 m -74.54 -39.62 62.22 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.136 178.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 116' ' ' VAL . . . . . 0.432 ' O ' ' CD2' ' D' ' 122' ' ' LEU . 53.1 t -58.03 -22.99 20.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.232 -0.894 . . . . 0.0 110.003 178.371 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 117' ' ' PHE . . . . . 0.488 ' HB3' ' CG1' ' D' ' 89' ' ' VAL . 32.0 m-85 -106.49 -30.95 8.76 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.583 -179.465 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 118' ' ' GLN . . . . . 0.415 ' HB2' ' HA ' ' D' ' 115' ' ' SER . 0.0 OUTLIER -61.42 -32.88 72.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.359 -179.207 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -47.24 123.17 5.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.379 -179.681 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 120' ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -68.58 -44.43 74.41 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.795 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 121' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -55.74 -33.38 64.22 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.704 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 122' ' ' LEU . . . . . 0.432 ' CD2' ' O ' ' D' ' 116' ' ' VAL . 37.2 tp -55.46 -48.53 74.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.651 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 123' ' ' HIS . . . . . 0.553 ' HA ' ' CD1' ' D' ' 126' ' ' LEU . 0.0 OUTLIER -53.64 -25.16 16.56 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.013 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' D' D ' 124' ' ' THR . . . . . 0.405 HG22 HG23 ' C' ' 61' ' ' VAL . 1.3 m -77.63 -35.28 52.81 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.532 178.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 125' ' ' LEU . . . . . . . . . . . . . 7.9 mt -72.7 -31.58 65.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.665 178.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 126' ' ' LEU . . . . . 0.553 ' CD1' ' HA ' ' D' ' 123' ' ' HIS . 3.9 mt -73.54 -49.99 23.66 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.599 -179.594 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 127' ' ' ASP . . . . . 0.438 ' OD1' ' N ' ' D' ' 128' ' ' LEU . 6.4 p30 -67.84 -33.77 75.41 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.243 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 128' ' ' LEU . . . . . 0.439 HD22 ' CD2' ' A' ' 59' ' ' TYR . 46.6 mt -75.19 -34.16 61.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.07 0.462 . . . . 0.0 110.478 179.715 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 129' ' ' TYR . . . . . 0.461 ' N ' ' CD1' ' C' ' 52' ' ' LEU . 0.2 OUTLIER -62.55 -50.67 70.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.866 -179.571 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' D' D ' 130' ' ' ASP . . . . . 0.423 ' HB3' ' HB2' ' D' ' 82' ' ' LEU . 1.4 t70 -75.27 -27.78 59.53 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.736 -0.386 . . . . 0.0 111.261 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 131' ' ' LYS . . . . . . . . . . . . . 10.4 tttm -58.68 -53.58 56.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.85 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 132' ' ' ILE . . . . . 0.41 ' HB ' HD23 ' C' ' 48' ' ' LEU . 4.0 mt -72.64 -37.44 56.12 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.294 0 CA-C-O 121.079 0.466 . . . . 0.0 110.425 179.623 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 133' ' ' ASN . . . . . . . . . . . . . 39.4 t-20 -59.05 -25.63 63.89 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.631 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 134' ' ' THR . . . . . 0.44 ' CG2' ' O ' ' D' ' 134' ' ' THR . 90.2 m -94.29 27.32 2.95 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.048 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 135' ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' D' ' 134' ' ' THR . 0.1 OUTLIER 41.36 32.36 0.21 Allowed 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.753 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' D' D ' 136' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.911 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.3 -39.64 95.13 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 121.249 0.547 . . . . 0.0 109.725 179.147 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 57.7 mm-40 -76.84 -28.4 55.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.151 179.107 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.19 -29.89 43.14 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.434 179.636 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.5 p -74.12 -43.84 56.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.46 179.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -69.79 -38.31 76.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.22 179.683 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -74.88 -24.47 58.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.101 179.022 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.461 ' O ' HD21 ' B' ' 113' ' ' LEU . . . -78.63 -51.47 9.84 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.796 179.144 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.538 ' CD2' ' HB3' ' A' ' 44' ' ' PHE . 0.4 OUTLIER -64.81 -28.71 69.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.888 179.734 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 55.4 t60 -73.49 -44.54 57.65 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 179.073 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.438 HD22 ' CE1' ' A' ' 21' ' ' TYR . 1.3 mt -61.66 -46.57 89.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.936 179.143 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.433 ' HB3' ' CG2' ' A' ' 37' ' ' ILE . 11.6 mt -59.28 -37.24 77.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.614 179.639 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.41 ' O ' ' CG ' ' A' ' 22' ' ' ARG . 9.6 mt-10 -59.9 -48.2 82.66 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.292 0.568 . . . . 0.0 110.443 179.374 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.63 -31.12 70.92 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.468 178.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.579 ' HA ' ' NZ ' ' A' ' 24' ' ' LYS . 7.2 m-30 -67.16 -49.07 66.05 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.769 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.41 ' CG ' ' O ' ' A' ' 19' ' ' GLU . 6.2 ptm180 -58.9 -32.64 69.71 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 178.506 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.5 p -58.07 -54.7 44.02 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.912 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.579 ' NZ ' ' HA ' ' A' ' 21' ' ' TYR . 0.0 OUTLIER -100.06 6.35 45.01 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.109 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.626 HD23 ' HB2' ' A' ' 30' ' ' ASP . 0.0 OUTLIER -93.35 -58.81 2.19 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.59 0.233 . . . . 0.0 111.214 179.583 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.473 ' HB2' ' HB2' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -69.92 -16.06 63.16 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.027 0.38 . . . . 0.0 112.027 -178.852 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.419 ' OE1' ' NH1' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -75.2 57.99 0.9 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.98 0.419 . . . . 0.0 110.802 -179.907 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.475 ' CG2' ' H ' ' A' ' 29' ' ' GLU . 7.6 t -174.67 -58.49 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.799 -179.66 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.475 ' H ' ' CG2' ' A' ' 28' ' ' THR . 12.0 pt-20 -171.0 29.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.06 -0.518 . . . . 0.0 112.307 -178.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.626 ' HB2' HD23 ' A' ' 25' ' ' LEU . 2.6 m-20 -139.18 43.46 2.04 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.773 0.32 . . . . 0.0 111.53 -179.788 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.419 ' NH1' ' OE1' ' A' ' 27' ' ' GLN . 8.6 mmm180 -54.9 -46.21 74.8 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.289 0.566 . . . . 0.0 110.182 179.383 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -56.76 -46.43 81.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.762 -0.653 . . . . 0.0 109.661 178.756 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.413 HD13 ' CB ' ' B' ' 95' ' ' SER . 5.4 tp -55.96 -30.77 62.22 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.763 178.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.473 ' HB2' ' HB2' ' A' ' 26' ' ' SER . 0.2 OUTLIER -60.67 -49.85 75.86 Favored 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 178.579 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.6 t -54.7 -35.47 63.67 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.797 178.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 m -65.57 -51.67 58.06 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.079 178.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.558 ' O ' HG12 ' A' ' 41' ' ' ILE . 66.4 mt -57.01 -44.03 82.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.756 179.028 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.64 -42.37 71.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.481 -0.782 . . . . 0.0 110.757 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.466 ' HB3' ' CB ' ' B' ' 88' ' ' ALA . 3.5 mtt180 -56.08 -52.63 63.6 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-O 121.269 0.557 . . . . 0.0 109.929 179.109 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.536 ' O ' ' HB2' ' A' ' 44' ' ' PHE . 3.7 t -60.29 -32.83 51.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.256 -0.883 . . . . 0.0 110.644 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.558 HG12 ' O ' ' A' ' 37' ' ' ILE . 4.7 mm -70.94 -53.1 22.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.575 179.793 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.9 p -63.26 -48.45 78.15 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-O 120.946 0.403 . . . . 0.0 110.689 -179.435 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.426 HD12 HG23 ' A' ' 43' ' ' ILE . 7.1 mt -59.71 -33.28 51.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.119 179.215 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.538 ' HB3' ' CD2' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -72.33 -56.17 5.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.945 -0.57 . . . . 0.0 112.121 179.648 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.418 ' NE2' HG22 ' A' ' 41' ' ' ILE . 5.3 pt20 -82.39 4.29 24.64 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 -178.17 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 p -50.39 173.6 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.71 0.29 . . . . 0.0 110.605 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -87.24 -38.16 16.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.849 0.357 . . . . 0.0 111.197 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.473 ' HG ' ' HA ' ' B' ' 129' ' ' TYR . 1.4 tp -79.68 -43.94 21.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.682 -179.574 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.455 ' CE1' HD21 ' B' ' 126' ' ' LEU . 28.4 t80 -50.98 -56.28 13.2 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.609 0.242 . . . . 0.0 111.403 -179.356 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -53.94 -37.29 63.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.812 0.339 . . . . 0.0 110.579 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.87 -47.31 85.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.404 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.402 ' CD1' ' N ' ' B' ' 129' ' ' TYR . 2.3 mt -59.05 -45.65 90.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.305 179.418 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 28.5 mt -56.17 -34.0 38.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.724 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -73.17 -34.76 66.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.316 179.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.434 HG21 ' CG ' ' A' ' 59' ' ' TYR . 90.1 mt -65.67 -41.83 91.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.774 179.732 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -52.26 -23.72 6.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.524 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.403 ' O ' ' CD2' ' A' ' 58' ' ' PHE . 34.1 mt-10 -47.48 -30.04 3.15 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.706 0.289 . . . . 0.0 111.246 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.412 ' CG ' ' HB2' ' C' ' 65' ' ' ASP . 61.6 m-85 -157.54 26.91 0.29 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.425 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.434 ' CG ' HG21 ' A' ' 55' ' ' ILE . 26.4 m-85 -135.41 74.51 1.52 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.585 179.612 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -62.55 95.9 0.08 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.828 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -72.83 96.81 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.973 0.416 . . . . 0.0 110.648 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.2 m -77.82 120.28 22.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.809 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.464 ' CD1' ' CE2' ' C' ' 59' ' ' TYR . 0.0 OUTLIER -92.16 126.11 37.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.418 179.494 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.43 ' CD2' ' N ' ' A' ' 64' ' ' LEU . 0.1 OUTLIER -109.77 -30.25 7.94 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.005 -179.712 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.427 ' HB2' ' CG ' ' C' ' 58' ' ' PHE . 0.7 OUTLIER -65.92 -43.43 88.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.466 179.742 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.466 0.333 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.717 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 N-CA-C 110.179 -1.168 . . . . 0.0 110.179 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . 0.491 ' HA ' ' CG ' ' B' ' 130' ' ' ASP . 8.8 tt -104.53 -15.93 15.2 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 114.713 -0.744 . . . . 0.0 110.044 179.089 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . 0.657 ' O ' ' HB3' ' B' ' 87' ' ' ARG . 0.7 OUTLIER -76.19 -40.36 52.57 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.286 -179.489 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . 0.655 ' O ' ' HB1' ' B' ' 88' ' ' ALA . . . -81.98 -20.95 37.47 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.551 -0.75 . . . . 0.0 112.5 -178.23 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 85' ' ' ALA . . . . . 0.464 ' CB ' ' HB3' ' B' ' 126' ' ' LEU . . . -52.31 -23.25 5.5 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.213 -0.595 . . . . 0.0 110.092 179.63 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.12 -38.31 2.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.888 178.581 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 87' ' ' ARG . . . . . 0.657 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 38.8 ttt85 -67.42 -43.02 82.23 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.593 179.397 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . 0.655 ' HB1' ' O ' ' B' ' 84' ' ' ALA . . . -70.05 -40.46 75.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.897 -179.757 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 89' ' ' VAL . . . . . 0.492 ' CG1' ' HB3' ' B' ' 117' ' ' PHE . 39.3 t -70.76 -37.99 71.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.546 179.523 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 13.8 t -76.2 -40.92 51.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.385 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 91' ' ' GLN . . . . . 0.443 ' NE2' ' HA ' ' B' ' 88' ' ' ALA . 6.2 pt20 -66.02 -49.38 67.94 Favored 'General case' 0 CA--C 1.52 -0.196 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 51.3 t -66.29 -27.83 41.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.426 177.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . 0.599 HD22 ' HA ' ' B' ' 114' ' ' HIS . 1.7 mt -61.17 -43.53 98.74 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.133 179.451 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -78.13 -27.29 48.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.987 -179.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 95' ' ' SER . . . . . 0.413 ' CB ' HD13 ' A' ' 33' ' ' LEU . 6.8 m -79.63 -24.58 41.81 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.616 -179.612 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . 0.477 ' O ' ' HB ' ' B' ' 99' ' ' ILE . 0.2 OUTLIER -38.84 -52.32 1.74 Allowed 'General case' 0 N--CA 1.464 0.275 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 -179.379 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 97' ' ' GLU . . . . . 0.411 ' HA ' HD11 ' B' ' 110' ' ' LEU . 66.0 mt-10 -68.87 -28.48 66.74 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.174 -179.269 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.08 -36.65 75.08 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.842 -1.17 . . . . 0.0 107.842 177.605 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 99' ' ' ILE . . . . . 0.477 ' HB ' ' O ' ' B' ' 96' ' ' LEU . 38.9 mt -59.09 -47.43 90.1 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.675 0 CA-C-N 114.39 -1.277 . . . . 0.0 109.861 178.264 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . 0.497 ' HB2' ' CD1' ' B' ' 110' ' ' LEU . 2.0 t-160 -60.36 -33.87 73.05 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 178.414 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -57.26 -41.64 80.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.599 -1.182 . . . . 0.0 112.041 179.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 102' ' ' LEU . . . . . 0.492 HD13 HD22 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -119.22 30.62 7.03 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -177.244 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 103' ' ' THR . . . . . 0.487 ' CG2' ' HE3' ' A' ' 24' ' ' LYS . 32.4 p -146.37 -36.15 0.26 Allowed 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.896 -0.321 . . . . 0.0 111.387 179.598 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 2.0 t0 73.72 27.34 1.75 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.986 0.422 . . . . 0.0 110.474 -179.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 105' ' ' SER . . . . . 0.407 ' OG ' ' CE1' ' A' ' 21' ' ' TYR . 1.9 m -52.19 -78.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.896 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 168.42 108.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.406 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -48.58 -32.6 8.36 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.726 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 4.7 tptt -67.1 -44.36 80.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.91 179.152 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -65.74 -34.17 77.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.053 179.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 110' ' ' LEU . . . . . 0.497 ' CD1' ' HB2' ' B' ' 100' ' ' HIS . 14.0 mt -63.94 -45.5 88.9 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.223 179.403 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.77 -39.87 90.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.51 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -60.49 -44.64 95.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.7 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 113' ' ' LEU . . . . . 0.461 HD21 ' O ' ' A' ' 14' ' ' ALA . 0.5 OUTLIER -70.58 -31.97 69.18 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.164 -179.639 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 114' ' ' HIS . . . . . 0.599 ' HA ' HD22 ' B' ' 93' ' ' LEU . 0.0 OUTLIER -62.25 -37.95 87.41 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 178.784 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 3.0 m -71.83 -35.78 70.0 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 178.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 116' ' ' VAL . . . . . 0.433 HG11 ' CE1' ' B' ' 117' ' ' PHE . 41.7 t -64.41 -23.12 32.67 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 CA-C-N 115.189 -0.914 . . . . 0.0 109.629 178.001 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 117' ' ' PHE . . . . . 0.492 ' HB3' ' CG1' ' B' ' 89' ' ' VAL . 7.4 m-30 -104.19 -22.54 13.38 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.699 -179.634 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 118' ' ' GLN . . . . . 0.425 ' N ' ' O ' ' B' ' 114' ' ' HIS . 0.0 OUTLIER -77.94 -32.56 51.6 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.695 0.283 . . . . 0.0 111.39 -179.463 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -41.59 118.42 1.07 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.836 -179.258 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 120' ' ' GLN . . . . . 0.455 ' O ' ' CD2' ' B' ' 123' ' ' HIS . 0.0 OUTLIER -59.85 -41.37 91.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.514 179.734 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 31.6 m-70 -55.51 -33.51 63.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.335 179.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 36.8 tp -55.93 -48.99 74.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.062 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 123' ' ' HIS . . . . . 0.455 ' CD2' ' O ' ' B' ' 120' ' ' GLN . 0.1 OUTLIER -56.78 -26.02 56.67 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.928 0.394 . . . . 0.0 110.094 179.515 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 2.7 m -72.89 -37.45 67.27 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 178.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 2.4 mt -72.62 -32.75 66.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.438 178.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . 0.464 ' HB3' ' CB ' ' B' ' 85' ' ' ALA . 10.5 mt -72.22 -48.71 40.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.935 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -62.87 -53.29 56.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.059 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . 0.421 HD22 ' CD2' ' C' ' 59' ' ' TYR . 19.0 mt -61.28 -37.33 82.79 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.748 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 129' ' ' TYR . . . . . 0.473 ' HA ' ' HG ' ' A' ' 48' ' ' LEU . 3.4 t80 -55.92 -51.03 69.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.7 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 130' ' ' ASP . . . . . 0.491 ' CG ' ' HA ' ' B' ' 82' ' ' LEU . 10.2 m-20 -76.09 -33.81 59.51 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.291 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.94 -53.91 49.46 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.064 -179.735 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 132' ' ' ILE . . . . . 0.431 ' HB ' ' CD2' ' A' ' 48' ' ' LEU . 2.3 mt -73.4 -38.76 53.95 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.425 0 CA-C-O 121.048 0.451 . . . . 0.0 110.685 179.644 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 133' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -59.91 -29.53 68.42 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.88 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 85.5 m -89.72 3.5 52.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.323 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 1.8 mmtt 76.55 -0.16 3.09 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.64 -0.254 . . . . 0.0 111.494 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--N 1.328 -0.344 0 CA-C-O 120.815 0.34 . . . . 0.0 110.754 -179.993 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 7' ' ' ARG . . . . . 0.456 ' HA ' ' OD2' ' C' ' 10' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 110.217 -0.29 . . . . 0.0 110.217 . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.51 -33.24 74.5 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-O 120.989 0.423 . . . . 0.0 110.148 179.177 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 58.5 mm-40 -77.24 -32.53 55.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.698 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 10' ' ' ASP . . . . . 0.478 ' OD1' ' N ' ' C' ' 11' ' ' THR . 11.1 p30 -80.96 -28.25 35.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.115 0.483 . . . . 0.0 109.877 179.15 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 11' ' ' THR . . . . . 0.478 ' N ' ' OD1' ' C' ' 10' ' ' ASP . 65.1 m -68.93 -47.05 66.7 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.184 179.256 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.45 -46.71 72.27 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-O 120.971 0.415 . . . . 0.0 110.27 179.345 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 16.8 tpp85 -64.24 -24.03 67.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.174 179.187 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 14' ' ' ALA . . . . . 0.501 ' O ' HD22 ' D' ' 113' ' ' LEU . . . -78.19 -55.99 4.82 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 179.094 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 15' ' ' LEU . . . . . 0.626 ' HB3' ' CD2' ' C' ' 44' ' ' PHE . 0.4 OUTLIER -63.84 -28.16 69.67 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.468 178.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' C' C ' 16' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -67.43 -46.66 72.49 Favored 'General case' 0 CA--C 1.517 -0.322 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 178.422 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . 0.431 ' CD1' ' CD1' ' D' ' 113' ' ' LEU . 2.4 mt -63.96 -35.14 79.7 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.183 178.272 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . 0.423 ' CB ' HD12 ' C' ' 41' ' ' ILE . 36.4 mt -63.81 -44.24 93.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.484 179.375 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . 0.437 ' N ' HD12 ' C' ' 41' ' ' ILE . 0.2 OUTLIER -60.54 -38.58 84.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.792 -179.745 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -75.76 -34.54 60.26 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.45 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 21' ' ' TYR . . . . . 0.578 ' O ' ' HB2' ' C' ' 25' ' ' LEU . 18.7 m-85 -69.84 -47.67 61.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.563 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 22' ' ' ARG . . . . . 0.406 ' HB2' ' HG3' ' C' ' 34' ' ' ARG . 20.9 ptt85 -58.69 -48.1 82.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.344 179.478 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 40.5 t -54.84 -40.67 69.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.823 179.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 24' ' ' LYS . . . . . . . . . . . . . 8.8 ptmt -96.88 6.26 48.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.606 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 25' ' ' LEU . . . . . 0.592 ' O ' HG21 ' C' ' 28' ' ' THR . 0.2 OUTLIER -91.85 -56.8 2.95 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -179.174 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' C' C ' 26' ' ' SER . . . . . 0.671 ' HB2' ' HD2' ' C' ' 31' ' ' ARG . 80.9 p -63.75 -28.37 69.83 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.181 -0.463 . . . . 0.0 112.179 -178.387 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 27' ' ' GLN . . . . . 0.46 ' OE1' ' OG ' ' C' ' 26' ' ' SER . 0.3 OUTLIER -70.48 56.4 0.17 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.972 0.415 . . . . 0.0 111.57 -178.802 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' C' C ' 28' ' ' THR . . . . . 0.592 HG21 ' O ' ' C' ' 25' ' ' LEU . 9.1 t -177.23 -61.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.511 179.454 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 29' ' ' GLU . . . . . 0.52 ' H ' ' CG2' ' C' ' 28' ' ' THR . 12.8 pt-20 -177.63 28.76 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.565 -179.387 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -136.69 49.55 2.06 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.915 0.388 . . . . 0.0 110.405 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . 0.671 ' HD2' ' HB2' ' C' ' 26' ' ' SER . 14.1 mmm180 -65.59 -47.35 76.05 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.456 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -59.45 -45.75 90.72 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.21 0.529 . . . . 0.0 109.776 178.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 33' ' ' LEU . . . . . 0.448 ' HA ' HD13 ' C' ' 33' ' ' LEU . 13.2 tp -58.61 -32.22 68.79 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.325 179.269 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 34' ' ' ARG . . . . . 0.604 ' HB2' ' HB3' ' C' ' 26' ' ' SER . 9.6 ttt180 -63.39 -38.95 93.11 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.798 -0.815 . . . . 0.0 108.798 178.442 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 21.0 t -59.89 -40.63 89.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.31 178.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 36' ' ' SER . . . . . 0.573 ' HB3' ' NE2' ' D' ' 91' ' ' GLN . 0.1 OUTLIER -64.33 -51.27 64.24 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.103 0.478 . . . . 0.0 110.247 179.38 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' C' C ' 37' ' ' ILE . . . . . 0.694 ' O ' HG12 ' C' ' 41' ' ' ILE . 58.4 mt -57.62 -37.47 58.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.392 0.615 . . . . 0.0 109.736 178.618 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -61.4 -52.24 65.42 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.012 -0.994 . . . . 0.0 112.733 -179.08 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 39' ' ' ARG . . . . . 0.498 ' HG2' ' O ' ' C' ' 36' ' ' SER . 6.9 ptp180 -58.45 -39.54 80.15 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.12 -0.632 . . . . 0.0 110.394 -179.359 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 61.8 t -60.76 -36.15 69.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 121.036 0.446 . . . . 0.0 109.88 178.065 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 41' ' ' ILE . . . . . 0.694 HG12 ' O ' ' C' ' 37' ' ' ILE . 19.3 mm -61.27 -61.62 1.5 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.695 179.788 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 11.7 t -52.62 -46.66 67.12 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-O 121.113 0.482 . . . . 0.0 110.646 -179.21 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 43' ' ' ILE . . . . . 0.455 HG23 ' CE2' ' D' ' 129' ' ' TYR . 5.5 mt -61.06 -34.14 58.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.007 179.061 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 44' ' ' PHE . . . . . 0.626 ' CD2' ' HB3' ' C' ' 15' ' ' LEU . 1.3 m-85 -72.33 -56.52 5.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.931 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 45' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -79.77 0.25 31.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.846 -179.16 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 46' ' ' SER . . . . . 0.419 ' OG ' ' CZ ' ' D' ' 129' ' ' TYR . 0.3 OUTLIER -51.81 139.48 21.59 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.83 0.348 . . . . 0.0 110.995 -179.872 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.03 -37.72 74.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.409 -179.563 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 3.1 tp -79.09 -41.81 27.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.267 -179.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 49' ' ' PHE . . . . . 0.413 ' CE1' ' HB2' ' D' ' 125' ' ' LEU . 75.9 t80 -51.21 -53.66 32.91 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.836 0.351 . . . . 0.0 111.14 -179.735 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -57.6 -37.05 72.59 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.511 179.621 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.71 -42.3 88.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.168 179.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 52' ' ' LEU . . . . . 0.417 ' CD1' ' N ' ' D' ' 129' ' ' TYR . 0.9 OUTLIER -62.28 -43.69 98.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.956 179.058 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' C' C ' 53' ' ' ILE . . . . . 0.423 HD11 HG21 ' C' ' 53' ' ' ILE . 18.7 mt -53.16 -40.86 40.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.499 179.372 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -68.55 -36.38 78.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.339 179.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 55' ' ' ILE . . . . . 0.444 ' CG2' ' HB2' ' C' ' 59' ' ' TYR . 76.1 mt -60.51 -44.1 95.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.632 179.508 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 56' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -53.07 -23.55 7.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.502 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 57' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -47.27 -31.0 3.42 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.431 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 58' ' ' PHE . . . . . 0.427 ' CG ' ' HB2' ' A' ' 65' ' ' ASP . 61.9 m-85 -157.36 24.23 0.3 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.65 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 59' ' ' TYR . . . . . 0.464 ' CE2' ' CD1' ' A' ' 63' ' ' LEU . 16.8 m-85 -134.16 73.83 1.51 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.812 0.339 . . . . 0.0 110.724 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -61.62 98.81 0.1 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.795 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 61' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -72.77 100.14 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.885 0.374 . . . . 0.0 111.057 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 62' ' ' THR . . . . . . . . . . . . . 4.3 m -84.71 117.0 23.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.585 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 63' ' ' LEU . . . . . 0.423 HD13 ' CE2' ' A' ' 59' ' ' TYR . 0.1 OUTLIER -91.82 129.66 37.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' C' C ' 64' ' ' LEU . . . . . 0.471 ' CD2' ' N ' ' C' ' 64' ' ' LEU . 0.1 OUTLIER -112.04 -27.3 8.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.011 -179.915 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' C' C ' 65' ' ' ASP . . . . . 0.412 ' HB2' ' CG ' ' A' ' 58' ' ' PHE . 3.3 t0 -69.79 -12.15 61.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.149 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 66' ' ' ASN . . . . . . . . . . . . . 9.9 p-10 . . . . . 0 C--N 1.332 -0.163 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.104 -179.85 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.508 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 82' ' ' LEU . . . . . 0.483 ' N ' ' CD1' ' D' ' 82' ' ' LEU . 1.1 mp -93.48 -35.86 12.74 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 178.396 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 83' ' ' LEU . . . . . 0.664 ' O ' ' HB2' ' D' ' 87' ' ' ARG . 0.7 OUTLIER -59.94 -36.6 77.42 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 114.817 -1.083 . . . . 0.0 110.462 179.398 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' D' D ' 84' ' ' ALA . . . . . 0.734 ' HA ' ' HB2' ' D' ' 87' ' ' ARG . . . -115.31 2.01 13.89 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.303 -0.862 . . . . 0.0 112.653 -177.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 85' ' ' ALA . . . . . 0.405 ' CB ' ' HB2' ' D' ' 126' ' ' LEU . . . -53.17 -26.11 16.07 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 177.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 86' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -118.72 -37.13 3.32 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 114.683 -1.144 . . . . 0.0 109.039 177.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 87' ' ' ARG . . . . . 0.734 ' HB2' ' HA ' ' D' ' 84' ' ' ALA . 0.1 OUTLIER -60.85 -57.1 14.08 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.043 178.896 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' D' D ' 88' ' ' ALA . . . . . 0.545 ' HB3' ' HB2' ' D' ' 84' ' ' ALA . . . -56.58 -42.36 78.52 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.697 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 89' ' ' VAL . . . . . 0.493 HG13 ' CD1' ' D' ' 117' ' ' PHE . 34.2 t -64.11 -32.48 57.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.104 179.065 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 8.5 p -76.45 -26.77 55.78 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.91 179.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 91' ' ' GLN . . . . . 0.63 ' HG3' ' O ' ' D' ' 87' ' ' ARG . 9.0 mt-30 -65.87 -55.02 19.19 Favored 'General case' 0 CA--C 1.513 -0.472 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 179.112 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 92' ' ' VAL . . . . . 0.414 HG22 ' HA ' ' C' ' 37' ' ' ILE . 3.5 t -66.07 -28.46 43.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.036 -0.983 . . . . 0.0 110.239 179.436 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 93' ' ' LEU . . . . . 0.661 HD22 ' HA ' ' D' ' 114' ' ' HIS . 1.2 mt -73.47 -26.78 61.07 Favored 'General case' 0 C--O 1.23 0.077 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.301 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -87.14 -43.55 12.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.858 0.361 . . . . 0.0 110.859 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 8.9 p -80.07 -13.18 59.5 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.899 -179.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 96' ' ' LEU . . . . . 0.443 ' O ' ' HB ' ' D' ' 99' ' ' ILE . 0.2 OUTLIER -40.4 -52.24 2.75 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -179.178 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -68.69 -28.11 66.56 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.126 -179.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.96 -36.16 72.45 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.861 -1.162 . . . . 0.0 107.861 178.118 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 99' ' ' ILE . . . . . 0.443 ' HB ' ' O ' ' D' ' 96' ' ' LEU . 72.4 mt -59.24 -49.21 84.27 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.683 0 CA-C-N 114.6 -1.182 . . . . 0.0 109.646 178.364 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 100' ' ' HIS . . . . . 0.517 ' HB2' ' CD1' ' D' ' 110' ' ' LEU . 1.9 t-160 -57.51 -35.98 70.95 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 178.652 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.69 -43.58 72.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 114.471 -1.24 . . . . 0.0 111.945 179.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 102' ' ' LEU . . . . . 0.456 ' CD1' ' CD2' ' C' ' 25' ' ' LEU . 0.3 OUTLIER -118.18 31.77 6.51 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.673 -0.694 . . . . 0.0 112.628 -177.497 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' D' D ' 103' ' ' THR . . . . . 0.439 ' OG1' ' O ' ' D' ' 99' ' ' ILE . 35.1 p -148.71 -29.16 0.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 4.5 t70 75.84 21.8 1.57 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.171 0.51 . . . . 0.0 110.497 -179.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 105' ' ' SER . . . . . 0.461 ' CB ' ' CE1' ' C' ' 21' ' ' TYR . 37.4 p -56.73 -22.9 38.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.012 179.476 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 106' ' ' SER . . . . . . . . . . . . . 1.1 t 80.35 123.51 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.437 -179.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -51.84 -24.18 5.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.198 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 30.5 mmtm -60.05 -55.31 35.5 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.979 0.418 . . . . 0.0 110.235 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 109' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -63.22 -34.6 78.01 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.774 179.03 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 110' ' ' LEU . . . . . 0.517 ' CD1' ' HB2' ' D' ' 100' ' ' HIS . 46.8 mt -64.98 -42.54 94.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.287 179.296 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 111' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.3 -44.83 92.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.638 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 112' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -58.98 -47.3 85.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.389 179.751 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 113' ' ' LEU . . . . . 0.501 HD22 ' O ' ' C' ' 14' ' ' ALA . 0.5 OUTLIER -69.28 -33.88 73.87 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.179 179.687 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' D' D ' 114' ' ' HIS . . . . . 0.661 ' HA ' HD22 ' D' ' 93' ' ' LEU . 6.6 m-70 -54.99 -40.16 69.81 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 178.703 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 115' ' ' SER . . . . . 0.473 ' HA ' ' HB2' ' D' ' 118' ' ' GLN . 8.4 p -73.48 -36.81 65.86 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.617 178.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 116' ' ' VAL . . . . . 0.433 ' O ' ' CD2' ' D' ' 122' ' ' LEU . 40.9 t -56.43 -24.78 19.33 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.135 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.645 178.586 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 117' ' ' PHE . . . . . 0.493 ' CD1' HG13 ' D' ' 89' ' ' VAL . 50.9 m-85 -105.53 -19.97 13.62 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.106 179.782 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 118' ' ' GLN . . . . . 0.473 ' HB2' ' HA ' ' D' ' 115' ' ' SER . 6.5 mm-40 -62.44 -41.35 98.67 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.944 0.402 . . . . 0.0 110.551 179.619 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -45.32 133.3 7.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.945 -179.091 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 120' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -77.03 -42.24 39.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.259 179.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 121' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -55.73 -33.43 64.23 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.426 179.323 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 122' ' ' LEU . . . . . 0.49 ' CD2' ' HA ' ' D' ' 117' ' ' PHE . 25.0 tp -55.66 -50.05 71.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.047 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 123' ' ' HIS . . . . . 0.487 ' HA ' HD13 ' D' ' 126' ' ' LEU . 0.0 OUTLIER -52.1 -26.74 11.86 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.225 179.026 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' D' D ' 124' ' ' THR . . . . . 0.424 ' N ' ' CD2' ' D' ' 123' ' ' HIS . 7.1 m -75.7 -35.34 60.32 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.734 179.232 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 125' ' ' LEU . . . . . 0.413 ' HB2' ' CE1' ' C' ' 49' ' ' PHE . 16.4 mt -63.36 -45.19 92.3 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.684 179.518 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 126' ' ' LEU . . . . . 0.487 HD13 ' HA ' ' D' ' 123' ' ' HIS . 3.3 mp -67.81 -45.47 74.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.168 -179.71 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 127' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -63.37 -49.0 75.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.214 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 128' ' ' LEU . . . . . 0.421 HD22 ' CD2' ' A' ' 59' ' ' TYR . 76.6 mt -60.92 -46.7 89.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.92 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 129' ' ' TYR . . . . . 0.455 ' CE2' HG23 ' C' ' 43' ' ' ILE . 0.1 OUTLIER -58.39 -50.74 72.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.154 -179.627 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' D' D ' 130' ' ' ASP . . . . . 0.445 ' CB ' HD11 ' D' ' 82' ' ' LEU . 47.3 m-20 -74.04 -17.0 61.03 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.168 -179.754 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 131' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.1 -46.14 36.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.909 0.385 . . . . 0.0 110.473 179.422 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 132' ' ' ILE . . . . . . . . . . . . . 2.8 mt -75.47 -35.34 32.17 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.899 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 133' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -72.51 -25.4 61.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.543 -179.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 134' ' ' THR . . . . . . . . . . . . . 98.5 m -90.66 -28.65 18.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.842 0.353 . . . . 0.0 110.887 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.81 -32.56 35.24 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.149 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 136' ' ' SER . . . . . . . . . . . . . 50.1 m . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.949 179.822 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.196 0 CA-C-O 120.35 0.119 . . . . 0.0 110.698 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -66.19 -35.78 81.34 Favored 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 109.597 -0.519 . . . . 0.0 109.597 179.17 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -74.75 -26.03 59.5 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.629 178.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -83.31 -34.37 25.72 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.328 179.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.4 p -74.28 -36.42 63.8 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.961 179.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.477 ' O ' ' HB2' ' A' ' 16' ' ' HIS . 0.7 OUTLIER -72.86 -46.65 51.72 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.199 179.288 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 -67.82 -23.08 65.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.183 179.207 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.476 ' O ' HD23 ' B' ' 113' ' ' LEU . . . -78.49 -52.16 8.93 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.05 179.315 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.54 ' CD2' ' HB3' ' A' ' 44' ' ' PHE . 0.6 OUTLIER -68.49 -24.67 64.71 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.121 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.477 ' HB2' ' O ' ' A' ' 12' ' ' GLN . 1.9 t-160 -73.31 -50.82 20.07 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 178.139 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.421 HD22 ' CE1' ' A' ' 21' ' ' TYR . 0.9 OUTLIER -55.66 -37.63 68.53 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 121.764 0.792 . . . . 0.0 109.01 178.096 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.483 ' HB3' ' CG2' ' A' ' 37' ' ' ILE . 32.9 mt -61.17 -48.53 81.16 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.474 -1.239 . . . . 0.0 110.798 179.468 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.459 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 0.4 OUTLIER -57.37 -33.65 68.03 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.798 -179.912 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -76.8 -39.51 51.24 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.114 179.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.493 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 13.7 m-30 -64.85 -47.26 78.58 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.76 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.477 ' HB2' ' CG ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -58.94 -51.08 71.56 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.686 179.695 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.403 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 1.6 p -55.46 -32.58 62.9 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.149 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.5 ptmt -102.5 4.9 39.11 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.556 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.493 ' HB2' ' O ' ' A' ' 21' ' ' TYR . 0.6 OUTLIER -93.35 -63.77 1.17 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.022 0.439 . . . . 0.0 112.085 -179.418 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.671 ' HB2' ' HD2' ' A' ' 31' ' ' ARG . 38.0 p -57.49 -18.16 17.34 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.869 -0.605 . . . . 0.0 112.298 -178.488 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.485 ' OE1' ' OG ' ' A' ' 26' ' ' SER . 1.2 mm100 -77.83 49.62 0.79 Allowed 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.782 -0.367 . . . . 0.0 111.661 -179.239 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.48 ' CG2' ' N ' ' A' ' 29' ' ' GLU . 0.9 OUTLIER -176.58 -54.71 0.01 OUTLIER 'General case' 0 CA--C 1.528 0.132 0 N-CA-C 111.687 0.254 . . . . 0.0 111.687 179.288 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.48 ' N ' ' CG2' ' A' ' 28' ' ' THR . 7.6 pt-20 -179.3 27.08 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.772 0.32 . . . . 0.0 111.687 -179.668 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -131.92 47.88 2.48 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.929 0.395 . . . . 0.0 110.748 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.671 ' HD2' ' HB2' ' A' ' 26' ' ' SER . 21.2 mmm180 -64.9 -50.07 67.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.415 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -59.88 -46.98 87.6 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.268 0.556 . . . . 0.0 109.856 178.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.415 ' CD2' ' HB3' ' B' ' 95' ' ' SER . 8.5 tp -55.92 -36.51 67.81 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.452 179.221 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.592 ' HB2' ' HB3' ' A' ' 26' ' ' SER . 10.5 ttt180 -60.35 -42.65 96.19 Favored 'General case' 0 CA--C 1.518 -0.261 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 179.118 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.0 t -59.25 -35.3 73.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.902 178.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.739 ' HB3' ' NE2' ' B' ' 91' ' ' GLN . 38.2 m -66.45 -51.27 58.67 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-O 121.258 0.551 . . . . 0.0 110.428 179.339 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.576 ' O ' HG12 ' A' ' 41' ' ' ILE . 6.1 mt -59.46 -40.89 82.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.91 -0.587 . . . . 0.0 109.593 179.076 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.15 -52.14 66.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 114.987 -1.006 . . . . 0.0 111.86 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.557 ' HG3' ' HB2' ' B' ' 88' ' ' ALA . 3.8 ptp180 -56.74 -38.01 71.81 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 120.36 -0.536 . . . . 0.0 110.326 -179.755 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.413 ' O ' ' HB2' ' A' ' 44' ' ' PHE . 95.6 t -64.43 -31.25 52.78 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 178.357 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.576 HG12 ' O ' ' A' ' 37' ' ' ILE . 30.4 mm -65.49 -61.83 1.52 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.199 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.04 179.496 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.4 p -52.66 -47.04 67.41 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-O 121.038 0.447 . . . . 0.0 110.4 -179.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 24.5 mt -60.59 -32.59 51.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.721 178.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.54 ' HB3' ' CD2' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -72.86 -59.59 2.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.893 179.614 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -80.55 1.1 30.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.937 -178.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -47.54 170.14 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.824 0.345 . . . . 0.0 111.523 -179.619 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -83.15 -36.75 24.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 -179.741 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' B' ' 129' ' ' TYR . 0.3 OUTLIER -76.34 -44.54 36.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.495 179.782 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.426 ' CE1' HD22 ' B' ' 126' ' ' LEU . 11.0 t80 -51.2 -56.57 12.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.514 -179.397 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 90.5 mm-40 -53.21 -40.62 64.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.906 0.384 . . . . 0.0 110.722 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.43 -48.79 80.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.688 179.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.415 ' CD1' ' N ' ' B' ' 129' ' ' TYR . 4.0 mt -60.26 -47.28 86.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.571 179.643 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.456 HG23 HD12 ' A' ' 53' ' ' ILE . 47.7 mt -53.41 -34.94 23.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.49 179.448 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -73.24 -32.42 64.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.271 179.217 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.433 HD11 HG22 ' A' ' 55' ' ' ILE . 58.2 mt -70.33 -43.75 78.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.22 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.4 -20.54 4.7 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.737 -179.558 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.408 ' O ' ' CG ' ' A' ' 58' ' ' PHE . 24.7 pt-20 -43.59 -36.43 2.1 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.775 0.321 . . . . 0.0 111.421 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.517 ' CG ' ' HB2' ' C' ' 65' ' ' ASP . 68.0 m-85 -158.09 36.56 0.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.25 -179.786 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.465 ' CE2' ' CD1' ' C' ' 63' ' ' LEU . 15.2 m-85 -132.56 70.09 1.47 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.597 179.791 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -55.51 90.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.975 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -72.84 98.13 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.007 0.432 . . . . 0.0 110.924 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.3 m -78.98 120.09 23.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.611 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.464 ' CD1' ' CE2' ' C' ' 59' ' ' TYR . 0.2 OUTLIER -94.17 125.46 38.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.813 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.445 ' CD2' ' N ' ' A' ' 64' ' ' LEU . 0.1 OUTLIER -105.77 -28.94 10.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 -179.938 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.452 ' CB ' ' CD1' ' C' ' 58' ' ' PHE . 8.3 t0 -158.08 -76.97 0.08 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.21 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.13 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.4 0 N-CA-C 110.14 -1.184 . . . . 0.0 110.14 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . 0.443 ' HB2' ' HB3' ' B' ' 130' ' ' ASP . 8.9 tt -100.43 -29.77 12.2 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 114.627 -0.787 . . . . 0.0 109.502 179.02 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . 0.656 ' O ' ' HB3' ' B' ' 87' ' ' ARG . 0.3 OUTLIER -84.97 -46.15 11.51 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.133 -0.939 . . . . 0.0 110.938 -179.827 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . 0.512 ' H ' ' CD2' ' B' ' 83' ' ' LEU . . . -70.36 -29.23 65.86 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.965 -178.739 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 85' ' ' ALA . . . . . 0.477 ' O ' HD23 ' B' ' 126' ' ' LEU . . . -53.11 -26.61 17.07 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.016 0.436 . . . . 0.0 110.352 179.734 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -118.47 -40.62 2.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.832 178.729 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 87' ' ' ARG . . . . . 0.656 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 26.6 ttt85 -65.55 -50.27 65.81 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.159 179.18 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . 0.728 ' HA ' ' NE2' ' B' ' 91' ' ' GLN . . . -65.92 -34.7 78.72 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.374 -179.517 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 89' ' ' VAL . . . . . 0.513 ' CG1' ' HB3' ' B' ' 117' ' ' PHE . 76.2 t -64.36 -57.19 12.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.187 179.558 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.7 -29.08 70.07 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 178.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 91' ' ' GLN . . . . . 0.739 ' NE2' ' HB3' ' A' ' 36' ' ' SER . 3.6 tt0 -63.54 -47.88 79.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.372 -0.831 . . . . 0.0 108.973 178.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 21.4 t -74.63 -28.58 22.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.04 177.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . 0.707 ' CD1' ' HB2' ' B' ' 117' ' ' PHE . 0.7 OUTLIER -65.18 -31.29 72.4 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.703 179.05 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -80.65 -42.49 22.02 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.138 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 95' ' ' SER . . . . . 0.415 ' HB3' ' CD2' ' A' ' 33' ' ' LEU . 1.0 OUTLIER -79.35 -12.51 59.92 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.544 179.842 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . 0.473 ' O ' ' HB ' ' B' ' 99' ' ' ILE . 0.2 OUTLIER -43.99 -52.23 7.17 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.846 0.355 . . . . 0.0 111.879 -179.485 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -65.95 -27.49 68.2 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.018 -179.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.94 -37.11 72.84 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 178.082 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 99' ' ' ILE . . . . . 0.473 ' HB ' ' O ' ' B' ' 96' ' ' LEU . 84.9 mt -58.55 -49.15 83.38 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.66 0 CA-C-N 114.545 -1.207 . . . . 0.0 109.817 178.452 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . 0.505 ' HB2' ' CD1' ' B' ' 110' ' ' LEU . 2.1 t-160 -58.01 -35.67 71.57 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 178.563 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -55.37 -42.31 73.77 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.541 -1.208 . . . . 0.0 111.857 179.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 102' ' ' LEU . . . . . 0.437 ' CD1' ' CD2' ' A' ' 25' ' ' LEU . 0.3 OUTLIER -119.59 33.06 5.78 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 -177.473 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 103' ' ' THR . . . . . 0.466 ' OG1' ' O ' ' B' ' 99' ' ' ILE . 40.4 p -151.29 -29.33 0.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 179.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 5.2 t70 75.37 22.65 1.64 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.083 0.468 . . . . 0.0 110.596 -179.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 105' ' ' SER . . . . . 0.437 ' HB3' ' CE1' ' A' ' 21' ' ' TYR . 0.1 OUTLIER -57.28 -20.0 25.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.029 179.464 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 106' ' ' SER . . . . . 0.412 ' CB ' ' O ' ' B' ' 105' ' ' SER . 4.3 t 80.61 121.04 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.71 -179.762 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -49.86 -27.11 4.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.056 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 10.0 tptt -57.45 -54.52 45.95 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.04 0.447 . . . . 0.0 110.264 179.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -63.46 -35.51 80.67 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.808 179.145 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 110' ' ' LEU . . . . . 0.505 ' CD1' ' HB2' ' B' ' 100' ' ' HIS . 53.1 mt -64.18 -40.7 96.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.359 179.354 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -62.21 -42.81 99.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.565 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 112' ' ' PHE . . . . . 0.4 ' CE1' ' CG2' ' B' ' 116' ' ' VAL . 2.6 t80 -59.06 -46.06 89.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.386 179.692 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 113' ' ' LEU . . . . . 0.476 HD23 ' O ' ' A' ' 14' ' ' ALA . 0.5 OUTLIER -72.44 -31.29 65.34 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.3 179.669 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 114' ' ' HIS . . . . . 0.434 ' HA ' HD13 ' B' ' 93' ' ' LEU . 2.1 t-80 -59.64 -36.28 76.07 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 178.138 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 115' ' ' SER . . . . . 0.542 ' HA ' ' HB2' ' B' ' 118' ' ' GLN . 6.9 p -81.11 -39.99 24.77 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.482 178.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 116' ' ' VAL . . . . . 0.424 ' O ' ' CD2' ' B' ' 122' ' ' LEU . 10.2 t -55.95 -24.51 17.38 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 CA-C-O 121.436 0.636 . . . . 0.0 109.43 178.654 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 117' ' ' PHE . . . . . 0.707 ' HB2' ' CD1' ' B' ' 93' ' ' LEU . 7.7 m-30 -98.8 -27.07 14.1 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 114.935 -1.029 . . . . 0.0 111.309 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 118' ' ' GLN . . . . . 0.542 ' HB2' ' HA ' ' B' ' 115' ' ' SER . 0.0 OUTLIER -76.73 -15.71 59.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.924 -178.127 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 -53.6 117.51 3.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.751 0.31 . . . . 0.0 111.101 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 -57.37 -43.58 83.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -60.53 -34.5 74.21 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.8 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . 0.424 ' CD2' ' O ' ' B' ' 116' ' ' VAL . 54.3 tp -56.13 -49.32 74.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.995 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 123' ' ' HIS . . . . . 0.482 ' HA ' ' CD1' ' B' ' 126' ' ' LEU . 11.7 m170 -55.71 -24.7 36.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.873 0.368 . . . . 0.0 110.202 179.379 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 2.4 m -74.94 -38.73 61.67 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 179.006 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . 0.422 ' O ' ' CB ' ' B' ' 129' ' ' TYR . 4.1 mt -68.43 -30.8 69.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.758 178.669 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . 0.482 ' CD1' ' HA ' ' B' ' 123' ' ' HIS . 11.7 mt -73.22 -50.43 22.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.59 -179.447 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.56 -50.63 72.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.989 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . 0.433 HD23 ' CZ ' ' C' ' 59' ' ' TYR . 2.8 mt -70.46 -29.36 65.9 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.494 179.678 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 129' ' ' TYR . . . . . 0.528 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 1.2 t80 -55.47 -53.45 56.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.227 -179.285 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 130' ' ' ASP . . . . . 0.443 ' HB3' ' HB2' ' B' ' 82' ' ' LEU . 0.4 OUTLIER -78.11 -31.41 49.97 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.596 -0.442 . . . . 0.0 111.544 179.768 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 1.4 tttp -54.28 -54.23 42.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.198 -179.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 1.5 mt -78.35 -44.43 26.81 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 CA-C-O 120.948 0.404 . . . . 0.0 110.935 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 133' ' ' ASN . . . . . . . . . . . . . 61.6 t-20 -56.46 -25.94 52.42 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.988 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 85.2 m -86.64 -54.61 4.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.74 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 164.21 -21.68 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.226 179.762 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.332 -0.182 0 CA-C-O 120.793 0.33 . . . . 0.0 110.786 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 7' ' ' ARG . . . . . . . . . . . . . 9.5 ttp-105 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.259 -0.274 . . . . 0.0 110.259 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.66 -41.0 96.92 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 121.149 0.499 . . . . 0.0 109.941 179.302 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -77.26 -30.81 54.58 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.24 179.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -75.7 -29.87 59.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.263 179.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 3.2 p -73.21 -50.24 23.55 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.452 179.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -63.98 -32.97 74.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.172 179.504 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 34.8 ttt180 -75.96 -25.65 56.09 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.145 178.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 14' ' ' ALA . . . . . 0.479 ' O ' HD22 ' D' ' 113' ' ' LEU . . . -78.25 -54.83 5.79 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.523 178.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 15' ' ' LEU . . . . . 0.54 ' HB3' ' CD2' ' C' ' 44' ' ' PHE . 0.4 OUTLIER -60.5 -28.78 68.64 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.787 179.289 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 16' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -73.46 -41.91 62.58 Favored 'General case' 0 CA--C 1.52 -0.186 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 179.023 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . 0.423 HD21 ' CZ ' ' C' ' 21' ' ' TYR . 1.2 mt -62.72 -48.94 77.03 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.319 179.589 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . 0.469 ' HB3' ' CG2' ' C' ' 37' ' ' ILE . 2.3 mt -59.93 -37.01 78.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.468 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.34 -46.28 90.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.009 0.433 . . . . 0.0 110.722 179.628 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.73 -31.27 68.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.199 179.612 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 21' ' ' TYR . . . . . 0.534 ' O ' ' CB ' ' C' ' 25' ' ' LEU . 14.4 m-85 -70.79 -43.92 67.7 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.651 179.38 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 22' ' ' ARG . . . . . 0.43 ' HB2' ' CG2' ' C' ' 37' ' ' ILE . 3.5 ttt180 -54.18 -48.39 71.0 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.374 179.659 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 98.5 p -58.77 -45.47 89.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.011 179.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 24' ' ' LYS . . . . . . . . . . . . . 12.2 ptmt -93.27 12.35 24.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.932 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 25' ' ' LEU . . . . . 0.602 ' C ' ' CD2' ' C' ' 25' ' ' LEU . 0.0 OUTLIER -116.12 -77.24 0.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.834 0.35 . . . . 0.0 111.411 -179.193 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 26' ' ' SER . . . . . 0.462 ' CB ' ' HB2' ' C' ' 34' ' ' ARG . 4.1 m -56.38 -19.32 14.24 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.07 -0.514 . . . . 0.0 112.213 -178.507 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 27' ' ' GLN . . . . . 0.435 ' OE1' ' NH1' ' C' ' 31' ' ' ARG . 0.8 OUTLIER -77.46 57.79 1.6 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.86 0.362 . . . . 0.0 111.366 -179.577 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 28' ' ' THR . . . . . 0.451 ' CG2' ' N ' ' C' ' 29' ' ' GLU . 3.6 t -173.47 -51.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.534 179.604 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 29' ' ' GLU . . . . . 0.451 ' N ' ' CG2' ' C' ' 28' ' ' THR . 19.9 pt-20 -170.79 27.06 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.664 -179.733 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -138.69 46.51 1.99 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.907 0.384 . . . . 0.0 111.128 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . 0.435 ' NH1' ' OE1' ' C' ' 27' ' ' GLN . 26.8 mmm180 -55.49 -45.68 77.01 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.101 0.477 . . . . 0.0 110.301 179.601 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 27.6 tp60 -58.24 -42.81 87.19 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 178.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 33' ' ' LEU . . . . . 0.473 ' HG ' HD12 ' C' ' 25' ' ' LEU . 0.0 OUTLIER -57.62 -31.98 66.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.219 178.385 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 34' ' ' ARG . . . . . 0.462 ' HB2' ' CB ' ' C' ' 26' ' ' SER . 0.0 OUTLIER -60.53 -52.46 65.09 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.879 179.067 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 1.1 t -55.5 -34.22 64.41 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.347 179.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 36' ' ' SER . . . . . 0.43 ' HB3' ' HG3' ' D' ' 91' ' ' GLN . 0.8 OUTLIER -67.69 -51.97 43.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.53 179.447 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 37' ' ' ILE . . . . . 0.582 ' O ' HG12 ' C' ' 41' ' ' ILE . 57.4 mt -60.43 -41.74 88.59 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 179.067 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -54.95 -43.34 73.33 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.234 179.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 39' ' ' ARG . . . . . 0.477 ' CB ' ' HB2' ' D' ' 88' ' ' ALA . 6.5 mtt180 -57.1 -50.9 71.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.807 178.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . 0.604 ' O ' ' HB2' ' C' ' 44' ' ' PHE . 9.8 t -60.48 -30.96 47.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.708 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 41' ' ' ILE . . . . . 0.582 HG12 ' O ' ' C' ' 37' ' ' ILE . 4.9 mm -70.5 -52.98 24.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 C-N-CA 120.964 -0.295 . . . . 0.0 111.283 179.759 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 6.3 p -66.31 -47.78 72.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.827 0.346 . . . . 0.0 111.221 -179.145 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 43' ' ' ILE . . . . . 0.411 ' HA ' ' CE2' ' D' ' 129' ' ' TYR . 9.6 mt -59.87 -34.43 55.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.367 179.681 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 44' ' ' PHE . . . . . 0.604 ' HB2' ' O ' ' C' ' 40' ' ' VAL . 2.9 m-85 -72.94 -54.85 7.59 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.999 179.536 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 45' ' ' GLN . . . . . 0.44 ' HG2' ' O ' ' C' ' 41' ' ' ILE . 3.1 pt20 -79.32 -9.4 59.57 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.67 0.618 . . . . 0.0 112.67 -178.062 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 46' ' ' SER . . . . . 0.411 ' OG ' ' HB2' ' C' ' 49' ' ' PHE . 7.6 p -47.63 133.47 13.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.952 0.406 . . . . 0.0 111.128 -179.551 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -50.56 -26.04 4.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.741 -179.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . 0.584 ' HB3' ' CD1' ' D' ' 129' ' ' TYR . 0.4 OUTLIER -79.61 -46.75 16.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.882 0.373 . . . . 0.0 110.562 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 49' ' ' PHE . . . . . 0.433 ' CE2' HD13 ' C' ' 53' ' ' ILE . 56.8 t80 -50.64 -56.14 13.22 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.347 -179.236 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 78.4 mm-40 -56.07 -38.54 70.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.008 0.433 . . . . 0.0 110.444 179.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.29 -47.12 86.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.513 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 52' ' ' LEU . . . . . 0.425 HD11 ' O ' ' D' ' 125' ' ' LEU . 3.3 mt -61.19 -45.96 92.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.327 179.593 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 53' ' ' ILE . . . . . 0.433 HD13 ' CE2' ' C' ' 49' ' ' PHE . 19.4 mt -54.67 -33.51 27.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.378 179.357 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -72.87 -34.85 66.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.423 179.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 69.8 mt -68.43 -51.41 47.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.894 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 56' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -52.22 -23.52 5.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.38 -179.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 57' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -48.28 -30.68 5.05 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.819 0.342 . . . . 0.0 110.933 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 58' ' ' PHE . . . . . 0.452 ' CD1' ' CB ' ' A' ' 65' ' ' ASP . 52.0 m-85 -152.56 23.53 0.61 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.303 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 59' ' ' TYR . . . . . 0.464 ' CE2' ' CD1' ' A' ' 63' ' ' LEU . 52.3 m-85 -134.0 71.3 1.45 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.457 179.619 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.23 96.88 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.056 -179.658 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 61' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -78.46 97.08 2.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.076 179.761 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 62' ' ' THR . . . . . . . . . . . . . 5.1 m -87.62 118.0 26.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.594 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 63' ' ' LEU . . . . . 0.465 ' CD1' ' CE2' ' A' ' 59' ' ' TYR . 0.1 OUTLIER -91.25 133.91 35.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.832 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 64' ' ' LEU . . . . . 0.496 ' CD2' ' N ' ' C' ' 64' ' ' LEU . 0.1 OUTLIER -118.66 -21.38 7.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.531 -179.834 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 65' ' ' ASP . . . . . 0.517 ' HB2' ' CG ' ' A' ' 58' ' ' PHE . 38.8 t70 -115.04 15.47 17.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.884 0.373 . . . . 0.0 111.236 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 66' ' ' ASN . . . . . 0.405 ' HB3' ' CD2' ' C' ' 63' ' ' LEU . 3.7 p-10 . . . . . 0 C--N 1.327 -0.381 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.155 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 N-CA-C 109.6 -1.4 . . . . 0.0 109.6 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 82' ' ' LEU . . . . . . . . . . . . . 7.8 tt -98.71 -21.33 16.46 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 114.295 -0.952 . . . . 0.0 109.435 178.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 83' ' ' LEU . . . . . 0.649 ' O ' ' HB3' ' D' ' 87' ' ' ARG . 0.3 OUTLIER -82.43 -47.6 12.06 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.228 -179.132 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' D' D ' 84' ' ' ALA . . . . . 0.533 ' H ' ' CD2' ' D' ' 83' ' ' LEU . . . -70.92 -26.0 63.01 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.448 -178.707 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 85' ' ' ALA . . . . . 0.501 ' CB ' ' HB3' ' D' ' 126' ' ' LEU . . . -52.85 -25.99 13.28 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.074 0.464 . . . . 0.0 110.143 179.456 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 86' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -122.12 -41.77 2.41 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.866 178.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 87' ' ' ARG . . . . . 0.649 ' HB3' ' O ' ' D' ' 83' ' ' LEU . 21.2 ttt-85 -63.23 -44.9 93.94 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.328 179.272 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 88' ' ' ALA . . . . . 0.507 ' HB1' ' CB ' ' D' ' 84' ' ' ALA . . . -68.74 -41.97 78.24 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.02 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 89' ' ' VAL . . . . . 0.456 ' CG1' ' HB3' ' D' ' 117' ' ' PHE . 41.8 t -68.52 -38.58 79.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.892 179.589 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 6.6 t -76.28 -39.88 53.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.341 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 91' ' ' GLN . . . . . 0.43 ' HG3' ' HB3' ' C' ' 36' ' ' SER . 5.7 pt20 -67.08 -46.44 74.27 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 92' ' ' VAL . . . . . . . . . . . . . 59.5 t -68.69 -27.83 37.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.438 178.173 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 93' ' ' LEU . . . . . 0.623 HD22 ' HA ' ' D' ' 114' ' ' HIS . 2.5 mt -63.05 -40.42 97.64 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.922 179.376 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -81.11 -27.03 35.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.073 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 24.2 m -79.25 -23.09 43.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.337 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 96' ' ' LEU . . . . . 0.426 HD13 ' HA ' ' D' ' 110' ' ' LEU . 0.6 OUTLIER -40.26 -52.81 2.62 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.9 0.381 . . . . 0.0 111.889 -179.692 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -64.95 -29.0 69.91 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.312 -179.07 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.93 -39.59 72.57 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 177.752 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 99' ' ' ILE . . . . . 0.48 HG12 ' HG ' ' C' ' 25' ' ' LEU . 53.9 mt -60.32 -49.32 84.68 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.814 0 CA-C-N 114.148 -1.387 . . . . 0.0 110.107 178.61 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 100' ' ' HIS . . . . . 0.511 ' HB2' ' CD1' ' D' ' 110' ' ' LEU . 1.7 t-160 -58.32 -33.76 69.85 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 178.535 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 101' ' ' ALA . . . . . . . . . . . . . . . -55.74 -42.91 76.08 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 114.631 -1.168 . . . . 0.0 111.746 179.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 102' ' ' LEU . . . . . 0.505 HD11 HD22 ' C' ' 25' ' ' LEU . 0.3 OUTLIER -117.02 23.07 12.14 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 -177.521 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' D' D ' 103' ' ' THR . . . . . 0.438 HG23 ' O ' ' D' ' 99' ' ' ILE . 36.3 p -144.46 -5.42 0.75 Allowed 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 23.8 t0 53.12 22.51 2.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.995 0.426 . . . . 0.0 110.981 -179.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 105' ' ' SER . . . . . 0.438 ' CB ' ' CE1' ' C' ' 21' ' ' TYR . 58.1 p -56.59 -23.98 44.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.863 179.647 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 106' ' ' SER . . . . . . . . . . . . . 3.6 t 79.37 124.78 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.823 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -53.6 -23.97 12.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.844 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -56.9 -55.05 39.5 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.09 0.471 . . . . 0.0 110.01 179.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 109' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -63.27 -41.17 98.99 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.629 178.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 110' ' ' LEU . . . . . 0.511 ' CD1' ' HB2' ' D' ' 100' ' ' HIS . 88.2 mt -61.02 -34.0 74.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.071 179.106 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 111' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -64.97 -46.42 81.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.591 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 112' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -58.52 -39.44 80.14 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.194 179.627 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 113' ' ' LEU . . . . . 0.479 HD22 ' O ' ' C' ' 14' ' ' ALA . 0.5 OUTLIER -75.13 -36.42 61.6 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.554 179.72 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' D' D ' 114' ' ' HIS . . . . . 0.623 ' HA ' HD22 ' D' ' 93' ' ' LEU . 0.0 OUTLIER -59.42 -28.79 67.25 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 178.769 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' D' D ' 115' ' ' SER . . . . . 0.413 ' N ' ' CD2' ' D' ' 114' ' ' HIS . 0.3 OUTLIER -79.13 -38.44 36.09 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 177.883 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' D' D ' 116' ' ' VAL . . . . . 0.407 ' O ' ' CD2' ' D' ' 122' ' ' LEU . 11.5 t -60.93 -23.34 29.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 115.177 -0.92 . . . . 0.0 109.633 178.072 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 117' ' ' PHE . . . . . 0.456 ' HB3' ' CG1' ' D' ' 89' ' ' VAL . 25.5 m-85 -99.17 -40.37 8.01 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.284 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 118' ' ' GLN . . . . . 0.42 ' OE1' ' ND1' ' D' ' 114' ' ' HIS . 0.0 OUTLIER -59.71 -30.22 68.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.614 -179.14 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -44.17 116.07 0.95 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.661 -179.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 120' ' ' GLN . . . . . 0.454 ' O ' ' CD2' ' D' ' 123' ' ' HIS . 0.7 OUTLIER -59.91 -42.47 93.97 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.538 179.773 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' D' D ' 121' ' ' HIS . . . . . 0.41 ' O ' ' HG ' ' D' ' 125' ' ' LEU . 0.5 OUTLIER -55.42 -33.58 63.68 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.352 179.453 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' D' D ' 122' ' ' LEU . . . . . 0.407 ' CD2' ' O ' ' D' ' 116' ' ' VAL . 36.8 tp -55.69 -47.5 76.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.989 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 123' ' ' HIS . . . . . 0.454 ' CD2' ' O ' ' D' ' 120' ' ' GLN . 0.0 OUTLIER -57.66 -24.47 56.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.999 0.428 . . . . 0.0 110.15 179.39 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' D' D ' 124' ' ' THR . . . . . . . . . . . . . 1.4 m -75.0 -38.03 61.69 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.479 178.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 125' ' ' LEU . . . . . 0.425 ' O ' HD11 ' C' ' 52' ' ' LEU . 1.7 mt -73.18 -28.38 62.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.5 178.314 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 126' ' ' LEU . . . . . 0.501 ' HB3' ' CB ' ' D' ' 85' ' ' ALA . 18.9 mt -73.1 -50.27 23.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.963 -179.724 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 127' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -60.59 -46.55 89.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.287 179.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 128' ' ' LEU . . . . . 0.437 ' CD2' ' CD2' ' A' ' 59' ' ' TYR . 12.9 mt -70.43 -29.88 66.59 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.451 179.53 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 129' ' ' TYR . . . . . 0.584 ' CD1' ' HB3' ' C' ' 48' ' ' LEU . 1.0 OUTLIER -56.74 -51.6 68.24 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.857 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' D' D ' 130' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -76.11 -31.4 58.65 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.66 -0.416 . . . . 0.0 111.367 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 131' ' ' LYS . . . . . . . . . . . . . 4.1 mttp -54.47 -54.09 45.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.793 0.33 . . . . 0.0 110.987 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 132' ' ' ILE . . . . . . . . . . . . . 2.6 mt -76.74 -40.12 32.07 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.648 179.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 133' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -59.67 -25.73 64.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.903 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 134' ' ' THR . . . . . 0.439 ' O ' ' HG3' ' D' ' 135' ' ' LYS . 52.8 m -76.04 -3.1 34.0 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.338 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 135' ' ' LYS . . . . . 0.439 ' HG3' ' O ' ' D' ' 134' ' ' THR . 0.1 OUTLIER 44.2 34.84 1.07 Allowed 'General case' 0 N--CA 1.461 0.104 0 CA-C-O 120.89 0.376 . . . . 0.0 111.71 179.888 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' D' D ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.151 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 20.6 ttm-85 . . . . . 0 N--CA 1.454 -0.245 0 N-CA-C 110.45 -0.204 . . . . 0.0 110.45 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.6 mttt -65.28 -36.93 85.62 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-O 121.2 0.524 . . . . 0.0 109.624 179.013 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -76.82 -29.48 55.97 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.874 178.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.75 -30.89 40.91 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.463 179.658 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.5 p -75.97 -39.94 54.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.396 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -70.27 -37.43 74.87 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.846 -0.428 . . . . 0.0 109.846 179.285 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.54 -27.33 62.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.867 178.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.43 ' O ' HD21 ' B' ' 113' ' ' LEU . . . -78.32 -55.29 5.36 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 178.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.533 ' HB3' ' CD2' ' A' ' 44' ' ' PHE . 0.3 OUTLIER -62.07 -27.27 68.79 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.53 179.088 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -73.56 -46.19 48.89 Favored 'General case' 0 CA--C 1.518 -0.256 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 178.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.438 ' CD2' ' CE1' ' A' ' 21' ' ' TYR . 1.5 mt -61.9 -37.91 86.4 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.316 178.646 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.446 ' CB ' ' CD1' ' A' ' 41' ' ' ILE . 39.0 mt -61.21 -42.35 98.45 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.902 179.714 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -63.11 -43.52 98.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.061 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -71.68 -34.5 69.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.232 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.606 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 11.7 m-30 -69.95 -44.01 70.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.047 179.598 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.436 ' CG ' ' HG2' ' A' ' 34' ' ' ARG . 1.8 ttt-85 -55.42 -51.09 68.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.845 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.0 p -58.57 -43.84 89.55 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.069 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.4 ptmt -85.41 -1.42 57.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.752 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.606 ' HB2' ' O ' ' A' ' 21' ' ' TYR . 0.2 OUTLIER -90.03 -69.26 0.73 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.809 0.338 . . . . 0.0 111.006 -179.752 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.48 ' HB2' ' HB2' ' A' ' 34' ' ' ARG . 36.2 t -62.0 -146.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.826 -179.357 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 50.0 26.11 1.92 Allowed 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 121.066 0.46 . . . . 0.0 110.209 -179.299 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.449 ' CG2' ' N ' ' A' ' 29' ' ' GLU . 12.9 t -149.86 -53.74 0.16 Allowed 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.77 -179.768 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.449 ' N ' ' CG2' ' A' ' 28' ' ' THR . 13.5 pt-20 -179.57 27.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.702 -179.693 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.419 ' CB ' HD21 ' A' ' 25' ' ' LEU . 1.0 OUTLIER -142.92 52.04 1.4 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.961 0.41 . . . . 0.0 111.091 -179.802 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.77 -55.03 30.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.439 0.637 . . . . 0.0 110.297 179.573 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.5 tp60 -52.56 -50.21 63.38 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.791 178.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.412 ' CD2' HD13 ' A' ' 25' ' ' LEU . 8.8 tp -54.8 -31.3 58.82 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.892 178.651 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.48 ' HB2' ' HB2' ' A' ' 26' ' ' SER . 10.5 ttp180 -60.46 -46.65 89.29 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.367 178.795 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.6 m -59.09 -34.79 72.41 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.15 178.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -63.63 -51.84 63.45 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.584 179.691 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.575 ' O ' HG12 ' A' ' 41' ' ' ILE . 33.4 mt -59.37 -41.09 83.25 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.285 0 CA-C-O 121.209 0.528 . . . . 0.0 109.774 179.009 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -58.04 -41.8 84.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.456 179.554 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.436 ' CB ' ' HB2' ' B' ' 88' ' ' ALA . 6.8 mtt180 -55.72 -50.46 70.29 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-O 121.239 0.542 . . . . 0.0 109.631 179.105 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.604 ' O ' ' HB2' ' A' ' 44' ' ' PHE . 8.8 t -60.42 -28.65 42.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.663 179.592 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.575 HG12 ' O ' ' A' ' 37' ' ' ILE . 13.0 mm -70.26 -55.46 14.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.627 179.701 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.2 p -63.79 -47.35 81.25 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-O 120.813 0.34 . . . . 0.0 111.099 -178.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 5.7 mt -59.7 -35.38 59.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.396 179.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.604 ' HB2' ' O ' ' A' ' 40' ' ' VAL . 2.6 m-85 -72.6 -56.2 5.7 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.702 179.609 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.425 ' HG2' ' O ' ' A' ' 41' ' ' ILE . 3.2 pt20 -79.18 -0.04 30.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.962 -178.648 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.23 150.18 2.59 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.834 0.35 . . . . 0.0 111.002 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -66.19 -35.9 81.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.35 -179.554 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.426 ' CD2' ' O ' ' B' ' 129' ' ' TYR . 0.5 OUTLIER -79.7 -43.33 22.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.137 -179.713 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.461 ' CE1' HD21 ' B' ' 126' ' ' LEU . 20.0 t80 -50.6 -56.26 12.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.273 -179.546 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -55.17 -36.32 65.73 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.063 0.459 . . . . 0.0 110.446 179.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.34 -49.2 78.75 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.375 179.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.1 mt -57.71 -46.64 84.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.263 179.366 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 25.9 mt -56.69 -31.26 34.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.551 179.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -73.12 -33.67 65.68 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.071 179.094 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.445 HG21 ' CG ' ' A' ' 59' ' ' TYR . 64.4 mt -67.54 -45.91 84.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.674 179.502 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.22 -25.14 2.08 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.599 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.42 ' O ' ' CD2' ' A' ' 58' ' ' PHE . 11.7 mm-40 -45.58 -34.94 3.64 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.218 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.457 ' CD1' ' HB3' ' C' ' 65' ' ' ASP . 62.0 m-85 -155.36 30.69 0.38 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.221 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.445 ' CG ' HG21 ' A' ' 55' ' ' ILE . 35.5 m-85 -136.34 70.41 1.42 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.503 179.509 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.407 ' HB2' ' HB ' ' C' ' 62' ' ' THR . 3.4 mm-40 -58.94 102.92 0.14 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.635 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -81.64 96.72 3.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.82 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.435 ' HB ' ' HB2' ' C' ' 60' ' ' GLU . 20.2 m -74.26 118.96 17.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.243 179.699 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.472 ' CD1' ' CE2' ' C' ' 59' ' ' TYR . 0.0 OUTLIER -93.59 120.91 34.44 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.033 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.513 ' N ' ' CD2' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -99.31 -28.38 13.33 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.064 179.53 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.473 ' HB2' ' CD1' ' C' ' 58' ' ' PHE . 0.7 OUTLIER -164.64 -85.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.599 179.424 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.629 -0.26 . . . . 0.0 111.045 179.648 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . 0.416 ' HB2' ' OD2' ' B' ' 130' ' ' ASP . 7.6 tt -97.88 -23.96 15.62 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 114.349 -0.926 . . . . 0.0 109.34 178.326 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . 0.677 ' O ' ' HB3' ' B' ' 87' ' ' ARG . 0.3 OUTLIER -80.99 -47.21 13.93 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.751 -179.538 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . 0.536 ' H ' ' CD2' ' B' ' 83' ' ' LEU . . . -74.86 -25.56 59.06 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.731 -178.762 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 85' ' ' ALA . . . . . 0.524 ' CB ' ' HB3' ' B' ' 126' ' ' LEU . . . -52.94 -24.27 8.98 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.003 0.43 . . . . 0.0 110.224 179.52 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -123.07 -40.15 2.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.687 178.585 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 87' ' ' ARG . . . . . 0.677 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 28.0 ttt180 -65.21 -48.49 73.17 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.211 179.082 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . 0.534 ' HB1' ' CB ' ' B' ' 84' ' ' ALA . . . -65.02 -40.75 95.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.678 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 89' ' ' VAL . . . . . 0.485 ' CG1' ' HB3' ' B' ' 117' ' ' PHE . 48.9 t -61.5 -36.74 75.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.963 179.089 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 1.6 t -76.05 -23.54 55.11 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.783 179.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 91' ' ' GLN . . . . . 0.455 ' NE2' ' HA ' ' B' ' 88' ' ' ALA . 53.2 mt-30 -68.53 -55.69 10.84 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-O 121.32 0.581 . . . . 0.0 109.525 179.465 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 92' ' ' VAL . . . . . 0.466 HG21 ' HA ' ' A' ' 37' ' ' ILE . 2.9 t -67.8 -28.05 40.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.041 179.355 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . 0.623 HD22 ' HA ' ' B' ' 114' ' ' HIS . 2.9 mt -67.46 -34.39 77.09 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.985 179.572 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -86.97 -40.75 14.49 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.033 0.444 . . . . 0.0 111.079 -179.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 95' ' ' SER . . . . . 0.402 ' HB3' ' CD2' ' A' ' 33' ' ' LEU . 1.8 m -79.83 -17.65 52.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.213 -179.42 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . 0.477 ' O ' ' HB ' ' B' ' 99' ' ' ILE . 0.2 OUTLIER -39.0 -52.12 1.8 Allowed 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -179.335 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -67.35 -30.09 69.81 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.486 -179.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.88 -35.74 74.9 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 178.043 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 99' ' ' ILE . . . . . 0.477 ' HB ' ' O ' ' B' ' 96' ' ' LEU . 45.2 mt -61.05 -48.78 87.5 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.843 0 CA-C-N 114.361 -1.29 . . . . 0.0 109.921 178.409 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . 0.496 ' HB2' ' CD1' ' B' ' 110' ' ' LEU . 1.9 t-160 -56.78 -35.41 68.67 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 178.267 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.23 -45.81 72.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.434 -1.257 . . . . 0.0 111.719 179.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 102' ' ' LEU . . . . . 0.426 ' CD1' HD23 ' A' ' 25' ' ' LEU . 0.4 OUTLIER -117.24 32.27 6.26 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.46 -0.791 . . . . 0.0 112.493 -177.625 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 103' ' ' THR . . . . . 0.45 ' OG1' ' O ' ' B' ' 99' ' ' ILE . 41.8 p -147.39 -31.55 0.31 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 111.72 0.267 . . . . 0.0 111.72 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 11.8 t70 76.44 23.05 1.18 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.98 0.419 . . . . 0.0 110.576 -179.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 105' ' ' SER . . . . . 0.445 ' HB3' ' CE1' ' A' ' 21' ' ' TYR . 0.3 OUTLIER -59.66 -20.29 55.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.983 179.662 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 106' ' ' SER . . . . . 0.403 ' CB ' ' O ' ' B' ' 105' ' ' SER . 3.9 t 79.89 123.18 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.702 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -51.1 -26.65 6.81 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.095 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.58 -55.08 38.39 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.11 0.481 . . . . 0.0 110.255 179.655 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -64.74 -35.33 80.73 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.837 179.179 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 110' ' ' LEU . . . . . 0.496 ' CD1' ' HB2' ' B' ' 100' ' ' HIS . 31.0 mt -64.15 -36.4 83.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.093 179.282 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -65.6 -44.97 84.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.345 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -58.83 -40.8 85.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.585 179.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 113' ' ' LEU . . . . . 0.43 HD21 ' O ' ' A' ' 14' ' ' ALA . 0.5 OUTLIER -73.79 -32.2 63.64 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.929 -179.784 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 114' ' ' HIS . . . . . 0.623 ' HA ' HD22 ' B' ' 93' ' ' LEU . 35.4 m170 -60.05 -35.33 74.91 Favored 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 177.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 115' ' ' SER . . . . . 0.41 ' HA ' ' HB2' ' B' ' 118' ' ' GLN . 56.8 m -73.35 -38.43 65.73 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.171 178.684 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 116' ' ' VAL . . . . . 0.417 HG13 ' CE1' ' B' ' 117' ' ' PHE . 74.7 t -61.92 -23.2 30.68 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 CA-C-N 115.287 -0.869 . . . . 0.0 109.984 178.377 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 117' ' ' PHE . . . . . 0.485 ' HB3' ' CG1' ' B' ' 89' ' ' VAL . 6.3 m-30 -107.74 -16.0 14.43 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.648 -179.613 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 118' ' ' GLN . . . . . 0.41 ' HB2' ' HA ' ' B' ' 115' ' ' SER . 0.0 OUTLIER -78.01 -35.28 50.1 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 120.772 0.32 . . . . 0.0 111.33 -179.469 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -43.49 134.74 3.91 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.748 -179.295 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -75.16 -40.66 59.4 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.579 179.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -55.78 -33.68 64.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.32 179.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . 0.4 ' CD2' ' O ' ' B' ' 116' ' ' VAL . 50.1 tp -55.92 -47.12 78.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.492 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 123' ' ' HIS . . . . . 0.497 ' HA ' ' CD1' ' B' ' 126' ' ' LEU . 49.0 m-70 -57.74 -25.71 60.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.291 179.319 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 4.1 m -73.32 -39.58 65.16 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 178.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 1.9 mt -68.77 -31.58 70.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.704 178.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . 0.524 ' HB3' ' CB ' ' B' ' 85' ' ' ALA . 11.2 mt -73.22 -51.0 19.34 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.247 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -60.03 -50.62 73.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.031 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . 0.421 HD23 ' CD2' ' C' ' 59' ' ' TYR . 9.2 mt -68.25 -30.01 68.96 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.761 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 129' ' ' TYR . . . . . 0.444 ' O ' ' HB2' ' B' ' 133' ' ' ASN . 8.0 t80 -57.35 -53.01 62.93 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.868 -179.401 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 130' ' ' ASP . . . . . 0.416 ' OD2' ' HB2' ' B' ' 82' ' ' LEU . 2.2 t70 -76.77 -28.44 55.67 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.659 -0.416 . . . . 0.0 111.356 179.579 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 2.2 tptp -54.74 -52.5 62.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.99 -179.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 132' ' ' ILE . . . . . 0.415 ' HB ' ' CD2' ' A' ' 48' ' ' LEU . 1.7 mt -77.26 -41.06 30.14 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.014 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 133' ' ' ASN . . . . . 0.444 ' HB2' ' O ' ' B' ' 129' ' ' TYR . 1.9 t-20 -58.66 -25.89 63.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.704 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 134' ' ' THR . . . . . 0.509 ' O ' ' HG2' ' B' ' 135' ' ' LYS . 90.8 m -84.44 5.91 25.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.458 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 135' ' ' LYS . . . . . 0.509 ' HG2' ' O ' ' B' ' 134' ' ' THR . 0.0 OUTLIER 34.0 36.98 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.179 0.514 . . . . 0.0 111.733 -179.931 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.91 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 7' ' ' ARG . . . . . . . . . . . . . 8.6 ttm-85 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.33 -37.2 84.69 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-O 121.163 0.506 . . . . 0.0 109.78 179.016 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 54.9 mm-40 -75.65 -30.3 59.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.99 179.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -77.48 -31.5 53.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.311 179.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 1.1 p -72.29 -43.98 63.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.671 179.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -69.46 -35.35 75.54 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.27 179.504 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 23.0 ttt-85 -73.67 -25.19 60.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.965 179.059 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 14' ' ' ALA . . . . . 0.498 ' O ' HD23 ' D' ' 113' ' ' LEU . . . -78.37 -55.0 5.58 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 179.02 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 15' ' ' LEU . . . . . 0.589 ' HB3' ' CD2' ' C' ' 44' ' ' PHE . 0.3 OUTLIER -61.39 -26.11 67.63 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.577 179.238 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' C' C ' 16' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -73.4 -43.88 59.58 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 178.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . 0.444 ' CD2' ' CE1' ' C' ' 21' ' ' TYR . 1.3 mt -61.89 -48.43 80.54 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.269 179.407 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . 0.455 ' HB3' ' CG2' ' C' ' 37' ' ' ILE . 6.2 mt -59.02 -37.6 77.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.31 179.704 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . 0.418 ' CG ' HG21 ' C' ' 41' ' ' ILE . 3.8 mt-10 -57.69 -47.17 83.11 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.313 0.577 . . . . 0.0 110.368 179.357 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 20' ' ' GLU . . . . . 0.471 ' O ' ' HG3' ' C' ' 24' ' ' LYS . 18.5 mm-40 -71.34 -29.39 64.93 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.063 179.437 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 21' ' ' TYR . . . . . 0.685 ' O ' ' HB2' ' C' ' 25' ' ' LEU . 6.1 m-30 -68.43 -49.42 60.08 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.388 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 22' ' ' ARG . . . . . . . . . . . . . 29.1 ptt85 -57.45 -42.72 83.04 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.893 0.378 . . . . 0.0 110.362 179.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 3.9 m -58.94 -37.36 76.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.841 179.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 24' ' ' LYS . . . . . 0.471 ' HG3' ' O ' ' C' ' 20' ' ' GLU . 0.0 OUTLIER -110.32 17.47 20.85 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.624 -179.861 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' C' C ' 25' ' ' LEU . . . . . 0.685 ' HB2' ' O ' ' C' ' 21' ' ' TYR . 0.1 OUTLIER -105.71 -61.13 1.54 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.188 0.518 . . . . 0.0 110.059 179.61 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' C' C ' 26' ' ' SER . . . . . 0.403 ' OG ' ' HB2' ' C' ' 34' ' ' ARG . 1.2 m -65.04 -152.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.911 -179.635 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 27' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 57.76 23.25 9.34 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-O 120.938 0.399 . . . . 0.0 110.678 -179.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 28' ' ' THR . . . . . 0.498 ' CG2' ' H ' ' C' ' 29' ' ' GLU . 4.8 t -145.02 -59.88 0.35 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.043 -179.422 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 29' ' ' GLU . . . . . 0.498 ' H ' ' CG2' ' C' ' 28' ' ' THR . 17.2 pt-20 -174.69 27.97 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.283 -179.355 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -138.18 48.03 1.98 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.971 0.415 . . . . 0.0 110.922 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 -63.67 -52.31 61.25 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.147 0.499 . . . . 0.0 110.046 179.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.18 -43.91 78.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.637 178.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 33' ' ' LEU . . . . . 0.406 ' CD2' HD13 ' C' ' 25' ' ' LEU . 8.6 tp -56.41 -34.53 66.84 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.864 178.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 34' ' ' ARG . . . . . 0.403 ' HB2' ' OG ' ' C' ' 26' ' ' SER . 1.8 ttp180 -60.47 -46.32 90.52 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.33 178.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.82 -32.91 69.82 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.065 178.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 36' ' ' SER . . . . . 0.422 ' HB3' ' CB ' ' D' ' 91' ' ' GLN . 0.5 OUTLIER -70.05 -51.39 32.41 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.081 179.218 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' C' C ' 37' ' ' ILE . . . . . 0.609 ' O ' HG12 ' C' ' 41' ' ' ILE . 57.6 mt -56.84 -40.79 73.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.524 178.687 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.58 -41.51 94.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.82 179.623 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 39' ' ' ARG . . . . . 0.547 ' HB3' ' HB2' ' D' ' 88' ' ' ALA . 9.4 mtt180 -55.57 -49.62 72.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.142 0.496 . . . . 0.0 109.749 179.404 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . 0.469 ' O ' ' CD1' ' C' ' 44' ' ' PHE . 24.5 t -60.18 -33.44 53.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.591 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 41' ' ' ILE . . . . . 0.609 HG12 ' O ' ' C' ' 37' ' ' ILE . 13.5 mm -70.45 -50.29 46.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.809 0.337 . . . . 0.0 111.117 179.58 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 4.5 t -64.09 -48.4 76.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.728 -179.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 43' ' ' ILE . . . . . 0.45 HD11 HG22 ' C' ' 43' ' ' ILE . 5.1 mt -59.93 -33.53 53.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.143 179.488 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 44' ' ' PHE . . . . . 0.589 ' CD2' ' HB3' ' C' ' 15' ' ' LEU . 3.8 m-85 -72.01 -53.08 14.04 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.023 179.197 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 45' ' ' GLN . . . . . 0.506 ' O ' ' C ' ' C' ' 46' ' ' SER . 30.8 mt-30 -55.17 -54.74 39.43 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.913 -179.643 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 46' ' ' SER . . . . . 0.506 ' C ' ' O ' ' C' ' 45' ' ' GLN . 53.6 p -17.13 118.08 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.322 -179.062 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -49.65 -26.23 3.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.712 -179.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . 0.483 ' HG ' ' HA ' ' D' ' 129' ' ' TYR . 1.7 tp -78.11 -46.8 19.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.678 0.275 . . . . 0.0 110.946 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 49' ' ' PHE . . . . . 0.408 ' CB ' ' OG ' ' C' ' 46' ' ' SER . 56.1 t80 -50.81 -55.56 16.3 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.785 0.326 . . . . 0.0 110.533 -179.809 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.09 -37.74 83.77 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.148 0.499 . . . . 0.0 109.934 178.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.68 -41.49 86.31 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.885 179.089 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.75 -43.06 98.45 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.555 178.717 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 19.9 mt -56.16 -35.39 41.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.406 179.026 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -73.28 -31.9 64.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.457 179.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 55' ' ' ILE . . . . . 0.425 HG22 HD11 ' C' ' 55' ' ' ILE . 85.5 mt -67.52 -48.06 78.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.949 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 56' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -53.23 -22.3 6.59 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.52 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 57' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -45.01 -32.4 1.65 Allowed 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 120.809 0.338 . . . . 0.0 110.968 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 58' ' ' PHE . . . . . 0.473 ' CD1' ' HB2' ' A' ' 65' ' ' ASP . 54.9 m-85 -155.67 23.74 0.39 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.349 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 59' ' ' TYR . . . . . 0.472 ' CE2' ' CD1' ' A' ' 63' ' ' LEU . 16.5 m-85 -134.34 74.23 1.53 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.383 179.687 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 60' ' ' GLU . . . . . 0.435 ' HB2' ' HB ' ' A' ' 62' ' ' THR . 1.2 mt-10 -60.78 98.48 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.847 0.356 . . . . 0.0 110.765 -179.79 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 61' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -72.69 99.04 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.155 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 62' ' ' THR . . . . . 0.407 ' HB ' ' HB2' ' A' ' 60' ' ' GLU . 6.6 m -86.26 117.45 25.08 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.385 179.701 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 63' ' ' LEU . . . . . 0.441 HD13 ' CE2' ' A' ' 59' ' ' TYR . 0.2 OUTLIER -92.12 135.06 34.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.206 -179.765 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' C' C ' 64' ' ' LEU . . . . . 0.524 ' CD2' ' N ' ' C' ' 64' ' ' LEU . 0.0 OUTLIER -114.39 -28.39 7.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.713 179.755 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' C' C ' 65' ' ' ASP . . . . . 0.457 ' HB3' ' CD1' ' A' ' 58' ' ' PHE . 32.9 t70 -157.92 -87.12 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.948 179.561 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 66' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 . . . . . 0 N--CA 1.462 0.164 0 CA-C-O 120.609 0.242 . . . . 0.0 111.164 179.789 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.437 0 N-CA-C 110.524 -1.03 . . . . 0.0 110.524 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 82' ' ' LEU . . . . . 0.496 ' N ' ' CD1' ' D' ' 82' ' ' LEU . 1.0 OUTLIER -69.73 -29.87 67.36 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 178.118 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' D' D ' 83' ' ' LEU . . . . . 0.755 ' O ' ' HB3' ' D' ' 87' ' ' ARG . 0.0 OUTLIER -44.69 -61.11 1.69 Allowed 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 114.922 -1.035 . . . . 0.0 111.255 -179.822 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' D' D ' 84' ' ' ALA . . . . . 0.573 ' H ' ' CD2' ' D' ' 83' ' ' LEU . . . -66.36 -26.91 67.5 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.126 -179.359 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 85' ' ' ALA . . . . . 0.573 ' CB ' ' HB3' ' D' ' 126' ' ' LEU . . . -53.03 -25.24 11.72 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.968 0.413 . . . . 0.0 110.406 179.514 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 86' ' ' GLU . . . . . 0.404 ' OE1' ' CG ' ' D' ' 123' ' ' HIS . 0.2 OUTLIER -127.04 -44.74 1.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.068 178.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' D' D ' 87' ' ' ARG . . . . . 0.755 ' HB3' ' O ' ' D' ' 83' ' ' LEU . 3.4 ttt180 -57.49 -47.38 82.08 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.063 179.096 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 88' ' ' ALA . . . . . 0.547 ' HB2' ' HB3' ' C' ' 39' ' ' ARG . . . -57.55 -48.12 80.18 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.72 179.8 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 89' ' ' VAL . . . . . 0.499 ' CG1' ' HB3' ' D' ' 117' ' ' PHE . 50.0 t -61.46 -51.3 74.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.622 179.415 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 7.8 t -54.93 -26.3 35.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.229 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 91' ' ' GLN . . . . . 0.422 ' CB ' ' HB3' ' C' ' 36' ' ' SER . 48.4 mt-30 -72.32 -56.25 5.8 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-O 121.329 0.585 . . . . 0.0 110.048 179.6 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 92' ' ' VAL . . . . . . . . . . . . . 2.8 t -66.02 -28.21 43.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.494 179.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 93' ' ' LEU . . . . . 0.477 HD22 ' HA ' ' D' ' 114' ' ' HIS . 1.7 mt -73.9 -32.22 63.47 Favored 'General case' 0 C--O 1.23 0.066 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.354 179.672 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -86.12 -40.85 15.25 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.853 0.359 . . . . 0.0 111.044 -179.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.21 -17.3 55.11 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.466 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 96' ' ' LEU . . . . . 0.478 ' O ' ' HB ' ' D' ' 99' ' ' ILE . 0.2 OUTLIER -40.23 -47.14 2.4 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.999 0.428 . . . . 0.0 111.941 -179.755 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -68.36 -34.03 75.34 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.234 -179.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 98' ' ' GLU . . . . . 0.414 ' O ' ' CB ' ' D' ' 101' ' ' ALA . 0.1 OUTLIER -69.18 -35.43 76.25 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 178.139 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' D' D ' 99' ' ' ILE . . . . . 0.478 ' HB ' ' O ' ' D' ' 96' ' ' LEU . 33.9 mt -59.18 -48.27 87.42 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.729 0 CA-C-N 114.462 -1.244 . . . . 0.0 109.81 178.451 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 100' ' ' HIS . . . . . 0.523 ' HB2' ' CD1' ' D' ' 110' ' ' LEU . 1.2 t-160 -58.39 -35.57 72.22 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 178.186 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 101' ' ' ALA . . . . . 0.414 ' CB ' ' O ' ' D' ' 98' ' ' GLU . . . -53.78 -44.06 69.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 114.619 -1.173 . . . . 0.0 111.865 179.361 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 102' ' ' LEU . . . . . 0.411 ' CD1' HD21 ' C' ' 25' ' ' LEU . 0.4 OUTLIER -118.09 32.08 6.34 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.619 -0.719 . . . . 0.0 112.692 -177.521 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' D' D ' 103' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' D' ' 99' ' ' ILE . 43.2 p -148.59 -36.98 0.18 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.73 0.3 . . . . 0.0 111.639 179.744 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 77.21 26.73 0.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.041 0.448 . . . . 0.0 110.338 -179.196 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 105' ' ' SER . . . . . 0.409 ' OG ' ' CZ ' ' C' ' 21' ' ' TYR . 3.5 m -61.34 -16.61 47.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.235 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 106' ' ' SER . . . . . . . . . . . . . 1.3 t 77.56 124.94 0.04 OUTLIER 'General case' 0 N--CA 1.461 0.112 0 CA-C-O 120.954 0.407 . . . . 0.0 110.759 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -52.34 -25.8 10.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.185 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.52 -55.18 38.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.083 0.468 . . . . 0.0 110.306 179.714 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 109' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -63.17 -39.08 93.63 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.813 179.093 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 110' ' ' LEU . . . . . 0.523 ' CD1' ' HB2' ' D' ' 100' ' ' HIS . 31.3 mt -62.94 -36.92 85.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.285 179.393 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 111' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -63.81 -42.63 97.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.442 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 112' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -59.46 -46.65 88.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.392 179.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 113' ' ' LEU . . . . . 0.498 HD23 ' O ' ' C' ' 14' ' ' ALA . 0.5 OUTLIER -69.92 -41.23 74.93 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.655 179.821 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' D' D ' 114' ' ' HIS . . . . . 0.477 ' HA ' HD22 ' D' ' 93' ' ' LEU . 2.3 t60 -56.98 -31.43 65.04 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 178.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 115' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.11 -38.71 51.66 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 177.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 116' ' ' VAL . . . . . 0.422 ' HB ' ' HA ' ' D' ' 113' ' ' LEU . 3.3 t -59.24 -23.66 25.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 115.178 -0.919 . . . . 0.0 109.624 178.074 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 117' ' ' PHE . . . . . 0.499 ' HB3' ' CG1' ' D' ' 89' ' ' VAL . 27.2 m-85 -97.28 -48.92 5.15 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.26 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 118' ' ' GLN . . . . . 0.462 ' NE2' ' CE1' ' D' ' 114' ' ' HIS . 0.0 OUTLIER -49.05 -31.39 7.64 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.345 -179.377 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -46.69 119.06 2.27 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.311 -179.684 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 120' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.63 -37.91 89.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.865 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 121' ' ' HIS . . . . . 0.408 ' O ' ' HG ' ' D' ' 125' ' ' LEU . 13.9 m80 -59.06 -38.5 79.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.788 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 122' ' ' LEU . . . . . 0.448 ' HG ' HD13 ' D' ' 126' ' ' LEU . 60.8 tp -56.52 -47.59 79.01 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.45 179.745 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 123' ' ' HIS . . . . . 0.494 ' HA ' ' CD1' ' D' ' 126' ' ' LEU . 50.1 m170 -53.94 -27.22 29.6 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.084 0.469 . . . . 0.0 110.043 178.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 124' ' ' THR . . . . . . . . . . . . . 1.2 m -74.89 -38.2 61.93 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.491 178.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 125' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' D' ' 121' ' ' HIS . 1.7 mt -73.18 -29.6 62.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.315 178.38 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 126' ' ' LEU . . . . . 0.573 ' HB3' ' CB ' ' D' ' 85' ' ' ALA . 9.5 mt -71.27 -50.36 33.49 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.965 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 127' ' ' ASP . . . . . 0.43 ' O ' ' HB2' ' D' ' 131' ' ' LYS . 21.9 m-20 -67.88 -47.54 68.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.854 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 128' ' ' LEU . . . . . 0.426 HD21 ' CE2' ' A' ' 59' ' ' TYR . 64.4 mt -60.49 -35.24 75.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.638 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 129' ' ' TYR . . . . . 0.483 ' HA ' ' HG ' ' C' ' 48' ' ' LEU . 0.5 OUTLIER -64.01 -50.7 67.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.707 179.931 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' D' D ' 130' ' ' ASP . . . . . 0.42 ' CB ' HD11 ' D' ' 82' ' ' LEU . 23.6 m-20 -75.26 -25.7 58.24 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.502 -179.691 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 131' ' ' LYS . . . . . 0.43 ' HB2' ' O ' ' D' ' 127' ' ' ASP . 1.6 tttp -63.91 -52.13 61.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.733 0.301 . . . . 0.0 110.777 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 132' ' ' ILE . . . . . . . . . . . . . 3.5 mt -71.91 -35.02 53.0 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 CA-C-O 121.017 0.437 . . . . 0.0 110.469 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 133' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -71.4 -26.91 62.97 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.877 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 134' ' ' THR . . . . . . . . . . . . . 91.3 m -112.36 7.87 19.37 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.412 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 135' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.56 -39.08 53.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.834 0.35 . . . . 0.0 110.761 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 136' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.917 179.851 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.0 ttm180 . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.6 tttm -64.1 -39.4 93.97 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-O 121.105 0.479 . . . . 0.0 109.814 179.093 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 42.3 mm-40 -77.28 -31.62 54.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.126 179.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -77.1 -29.76 55.02 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.13 179.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.403 ' HA ' ' HE2' ' A' ' 44' ' ' PHE . 5.4 p -72.54 -47.56 47.35 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.365 179.7 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -65.22 -36.8 85.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.179 179.634 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.71 -24.45 59.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.053 179.053 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.47 ' O ' HD23 ' B' ' 113' ' ' LEU . . . -77.8 -54.85 5.86 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.592 179.109 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.572 ' HB3' ' CD2' ' A' ' 44' ' ' PHE . 0.5 OUTLIER -59.63 -29.61 68.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.327 179.498 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -73.12 -44.29 60.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.11 0.481 . . . . 0.0 110.181 179.112 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.457 ' HB3' HD12 ' B' ' 113' ' ' LEU . 1.4 mt -59.6 -48.18 82.66 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.934 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.544 HD13 ' HA ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -62.46 -33.99 75.93 Favored 'General case' 0 CA--C 1.52 -0.199 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.026 179.614 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -57.4 -44.58 84.67 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.237 0.542 . . . . 0.0 110.126 179.456 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -73.04 -32.68 65.24 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.005 179.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.622 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 7.0 m-30 -65.77 -47.07 76.41 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.401 179.72 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.437 ' HG3' ' N ' ' A' ' 23' ' ' SER . 3.9 ptm180 -60.42 -41.81 94.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.386 179.514 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.437 ' N ' ' HG3' ' A' ' 22' ' ' ARG . 38.1 p -59.14 -35.69 73.94 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.264 179.304 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.2 ptmt -101.74 3.27 39.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.446 179.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.622 ' HB2' ' O ' ' A' ' 21' ' ' TYR . 0.4 OUTLIER -91.5 -66.17 0.95 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.055 0.455 . . . . 0.0 111.107 -179.63 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.43 ' HB3' ' HB2' ' A' ' 34' ' ' ARG . 5.7 p -60.92 -159.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.008 -179.322 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.427 ' OE1' ' NH1' ' A' ' 31' ' ' ARG . 1.6 mp0 58.8 29.64 19.0 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.628 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.517 ' CG2' ' H ' ' A' ' 29' ' ' GLU . 4.2 t -151.48 -61.31 0.17 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.175 -179.739 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.517 ' H ' ' CG2' ' A' ' 28' ' ' THR . 26.8 pt-20 -174.43 27.87 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.233 -179.442 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.403 ' HB3' ' HB3' ' A' ' 33' ' ' LEU . 1.8 m-20 -143.05 53.61 1.37 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.583 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.427 ' NH1' ' OE1' ' A' ' 27' ' ' GLN . 11.9 mmm180 -66.41 -52.05 50.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.16 179.679 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -56.65 -47.92 78.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.634 178.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.417 ' CD2' HD13 ' A' ' 25' ' ' LEU . 13.7 tp -54.77 -34.12 62.19 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.897 178.726 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.43 ' HB2' ' HB3' ' A' ' 26' ' ' SER . 11.2 ttp180 -60.61 -43.28 97.63 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.322 178.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.77 -34.27 74.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.2 178.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.413 ' HB2' ' CB ' ' B' ' 91' ' ' GLN . 5.6 p -62.5 -51.66 66.57 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.533 179.513 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.58 ' O ' HG12 ' A' ' 41' ' ' ILE . 5.1 mt -55.19 -45.79 77.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.096 179.098 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.79 -43.01 72.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.983 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.409 ' HD2' ' HA ' ' A' ' 36' ' ' SER . 6.4 mtt180 -55.74 -51.34 67.67 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-O 121.207 0.527 . . . . 0.0 110.104 179.419 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.587 ' O ' ' HB2' ' A' ' 44' ' ' PHE . 11.5 t -60.47 -32.0 50.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.436 179.723 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.58 HG12 ' O ' ' A' ' 37' ' ' ILE . 6.7 mm -70.35 -55.8 13.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.795 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 38.5 t -61.81 -49.24 77.09 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.042 0.448 . . . . 0.0 110.949 -179.006 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.419 HD12 HG22 ' A' ' 43' ' ' ILE . 10.2 mt -59.04 -33.49 50.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.191 179.729 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.587 ' HB2' ' O ' ' A' ' 40' ' ' VAL . 2.0 m-85 -72.47 -56.16 5.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 112.085 179.685 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.488 ' HG2' ' O ' ' A' ' 41' ' ' ILE . 6.1 pt20 -81.09 5.22 17.32 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -178.463 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.7 m -53.99 177.52 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.401 0 CA-C-O 120.748 0.309 . . . . 0.0 110.183 179.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -89.19 -51.41 5.6 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.588 -179.552 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.532 ' HG ' ' HA ' ' B' ' 129' ' ' TYR . 1.8 tp -68.38 -38.49 81.41 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.103 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.437 ' CE1' HD22 ' B' ' 126' ' ' LEU . 59.8 t80 -51.11 -55.92 15.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.7 0.286 . . . . 0.0 111.014 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -59.16 -34.28 71.9 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.007 0.432 . . . . 0.0 109.995 179.179 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.93 -45.01 91.41 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.211 179.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.414 ' CD1' ' N ' ' B' ' 129' ' ' TYR . 1.8 mt -60.74 -44.79 96.22 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.082 179.103 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 9.8 mt -54.22 -35.96 31.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.248 179.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -73.3 -33.97 65.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.307 179.153 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.467 HG21 ' CD2' ' A' ' 59' ' ' TYR . 60.3 mt -66.54 -51.25 59.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.716 179.756 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -51.11 -25.15 4.71 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.344 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -48.24 -32.17 6.84 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.867 0.365 . . . . 0.0 110.907 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.434 ' CE1' ' CB ' ' C' ' 65' ' ' ASP . 8.6 m-85 -148.77 21.85 1.01 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.121 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.467 ' CD2' HG21 ' A' ' 55' ' ' ILE . 55.5 m-85 -136.21 74.37 1.5 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.567 179.763 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -61.22 94.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.744 0.307 . . . . 0.0 111.045 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.408 ' CG2' HG21 ' B' ' 124' ' ' THR . 0.0 OUTLIER -72.87 104.14 1.96 Allowed 'Isoleucine or valine' 0 CA--C 1.522 -0.129 0 CA-C-O 120.871 0.367 . . . . 0.0 110.796 179.654 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 12.2 m -85.76 109.62 18.77 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.743 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.442 HD11 ' CE2' ' C' ' 59' ' ' TYR . 0.2 OUTLIER -84.29 130.01 34.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.568 179.716 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.472 ' N ' ' CD2' ' A' ' 64' ' ' LEU . 0.1 OUTLIER -116.04 -25.44 7.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.346 -179.642 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.406 ' HB2' ' CB ' ' C' ' 58' ' ' PHE . 1.2 t0 -63.33 -18.5 63.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.062 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 . . . . . 0 C--N 1.331 -0.222 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.362 -179.878 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.466 0 N-CA-C 109.655 -1.378 . . . . 0.0 109.655 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . 0.407 ' HB2' ' HB3' ' B' ' 130' ' ' ASP . 8.8 tt -86.17 -25.27 25.78 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.29 -0.955 . . . . 0.0 110.152 178.663 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . 0.641 ' O ' ' HB3' ' B' ' 87' ' ' ARG . 0.8 OUTLIER -70.79 -34.71 72.05 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.976 -179.703 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . 0.647 ' HA ' ' HB3' ' B' ' 87' ' ' ARG . . . -95.1 -16.75 22.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.547 -0.751 . . . . 0.0 112.652 -178.061 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 85' ' ' ALA . . . . . 0.477 ' CB ' ' HB3' ' B' ' 126' ' ' LEU . . . -51.96 -24.27 6.23 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.409 -0.516 . . . . 0.0 110.451 -179.76 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -123.03 -37.73 2.69 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.661 -0.699 . . . . 0.0 109.461 178.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 87' ' ' ARG . . . . . 0.647 ' HB3' ' HA ' ' B' ' 84' ' ' ALA . 31.7 ttt85 -65.71 -53.13 45.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.407 179.183 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . 0.636 ' HB1' ' O ' ' B' ' 84' ' ' ALA . . . -60.38 -33.25 72.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.524 179.601 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 89' ' ' VAL . . . . . 0.478 ' CG1' ' HB3' ' B' ' 117' ' ' PHE . 38.7 t -66.81 -40.03 84.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.984 179.085 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 48.2 t -75.72 -21.79 57.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.624 179.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 91' ' ' GLN . . . . . 0.447 ' NE2' ' HA ' ' B' ' 88' ' ' ALA . 62.8 mt-30 -68.28 -56.9 6.99 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-O 121.266 0.555 . . . . 0.0 109.666 179.522 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 92' ' ' VAL . . . . . 0.424 ' CG1' HD21 ' A' ' 18' ' ' LEU . 4.2 t -67.84 -28.02 39.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.308 179.393 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . 0.563 ' CD2' ' HA ' ' B' ' 114' ' ' HIS . 0.7 OUTLIER -70.44 -30.07 66.82 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.422 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -87.97 -39.69 14.51 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.867 0.365 . . . . 0.0 111.362 -179.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 1.1 m -79.79 -16.27 55.86 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.892 -179.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . 0.5 ' O ' ' HB ' ' B' ' 99' ' ' ILE . 0.1 OUTLIER -37.85 -51.71 1.3 Allowed 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 -179.25 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -69.08 -31.54 70.36 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.178 -179.008 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.29 -34.53 74.86 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 178.023 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 99' ' ' ILE . . . . . 0.52 HG12 ' CD1' ' A' ' 25' ' ' LEU . 27.2 mt -60.3 -49.07 85.67 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 CA-C-N 114.476 -1.238 . . . . 0.0 109.9 178.484 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . 0.567 ' HB2' ' CD1' ' B' ' 110' ' ' LEU . 14.9 t-160 -55.37 -39.14 69.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 122.007 0.908 . . . . 0.0 108.551 178.188 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -51.39 -46.11 62.72 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 113.879 -1.51 . . . . 0.0 112.075 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 102' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -116.99 31.87 6.5 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.781 -177.479 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 103' ' ' THR . . . . . 0.408 HG23 ' O ' ' B' ' 99' ' ' ILE . 33.2 p -149.51 -31.97 0.22 Allowed 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.967 -0.293 . . . . 0.0 111.656 179.471 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 1.1 t70 68.17 27.9 6.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.006 0.431 . . . . 0.0 110.302 -179.363 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.33 -81.98 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.877 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 164.94 108.09 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.153 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -48.78 -36.22 16.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.825 0.345 . . . . 0.0 110.745 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 1.6 mmmt -63.21 -46.95 84.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.822 179.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -66.46 -34.9 78.98 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.926 178.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 110' ' ' LEU . . . . . 0.567 ' CD1' ' HB2' ' B' ' 100' ' ' HIS . 65.3 mt -64.66 -43.15 94.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.908 179.251 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -60.63 -41.57 95.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.504 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -59.03 -47.41 85.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.289 179.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 113' ' ' LEU . . . . . 0.47 HD23 ' O ' ' A' ' 14' ' ' ALA . 0.7 OUTLIER -70.07 -33.2 71.61 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.086 179.597 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 114' ' ' HIS . . . . . 0.643 ' O ' ' HG2' ' B' ' 118' ' ' GLN . 1.0 OUTLIER -56.35 -41.39 76.05 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 178.539 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 115' ' ' SER . . . . . 0.541 ' HA ' ' HG2' ' B' ' 118' ' ' GLN . 27.9 t -76.23 -34.77 59.22 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.946 178.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 116' ' ' VAL . . . . . 0.444 HG13 ' CE1' ' B' ' 117' ' ' PHE . 41.4 t -56.3 -26.1 21.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.524 178.561 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 117' ' ' PHE . . . . . 0.526 ' HD2' ' HG ' ' B' ' 93' ' ' LEU . 8.2 m-30 -103.08 -19.32 14.59 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.83 179.402 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 118' ' ' GLN . . . . . 0.643 ' HG2' ' O ' ' B' ' 114' ' ' HIS . 30.1 mm-40 -62.18 -42.88 99.7 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.064 0.459 . . . . 0.0 110.705 179.335 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -42.4 120.88 1.77 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.873 -179.085 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 5.1 tm0? -67.4 -36.7 81.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.287 179.566 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 49.4 m-70 -59.36 -34.86 72.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.385 179.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 56.2 tp -56.32 -43.87 79.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.027 179.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 123' ' ' HIS . . . . . 0.504 ' HA ' ' CD1' ' B' ' 126' ' ' LEU . 10.9 m170 -58.38 -27.11 63.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.738 178.788 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 124' ' ' THR . . . . . 0.408 HG21 ' CG2' ' A' ' 61' ' ' VAL . 1.3 m -72.89 -36.23 67.3 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 178.808 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 4.0 mt -73.0 -33.51 65.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.414 178.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . 0.504 ' CD1' ' HA ' ' B' ' 123' ' ' HIS . 4.9 mt -72.91 -50.08 25.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.97 179.797 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.89 -51.51 64.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.083 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . 0.437 HD22 ' CD2' ' C' ' 59' ' ' TYR . 70.8 mt -60.83 -36.82 80.07 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.908 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 129' ' ' TYR . . . . . 0.532 ' HA ' ' HG ' ' A' ' 48' ' ' LEU . 1.5 t80 -58.94 -52.72 64.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.048 -179.264 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 130' ' ' ASP . . . . . 0.418 ' OD2' ' CB ' ' B' ' 85' ' ' ALA . 16.6 m-20 -77.06 -30.03 55.41 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.228 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt -56.04 -50.55 70.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.679 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 132' ' ' ILE . . . . . 0.421 ' HB ' ' CD2' ' A' ' 48' ' ' LEU . 2.9 mt -75.87 -39.02 37.5 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.606 179.644 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 133' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -65.2 -30.04 70.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.151 -179.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 85.6 m -96.78 -58.7 1.97 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.913 -179.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 2.1 mmtt -56.5 -60.57 3.34 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.012 -179.528 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.622 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 7' ' ' ARG . . . . . 0.443 ' HA ' ' OD2' ' C' ' 10' ' ' ASP . 1.1 ttm-85 . . . . . 0 N--CA 1.45 -0.438 0 CA-C-O 120.354 0.121 . . . . 0.0 110.692 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 8' ' ' LYS . . . . . 0.456 ' HA ' ' OG1' ' C' ' 11' ' ' THR . 0.0 OUTLIER -73.6 -21.65 60.26 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 178.441 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' C' C ' 9' ' ' GLN . . . . . 0.434 ' NE2' ' HD2' ' C' ' 8' ' ' LYS . 2.0 mp0 -75.0 -43.09 55.85 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.672 178.777 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 10' ' ' ASP . . . . . 0.447 ' OD1' ' N ' ' C' ' 11' ' ' THR . 8.3 p30 -72.83 -28.35 62.49 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.028 179.34 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 11' ' ' THR . . . . . 0.456 ' OG1' ' HA ' ' C' ' 8' ' ' LYS . 42.7 p -68.24 -44.6 75.33 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.661 179.745 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -66.7 -44.94 80.34 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 120.902 0.382 . . . . 0.0 110.603 179.637 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 7.8 ttm-85 -66.21 -25.25 66.83 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.153 179.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 14' ' ' ALA . . . . . 0.425 ' CB ' HD21 ' D' ' 113' ' ' LEU . . . -78.73 -55.3 5.28 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 178.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 15' ' ' LEU . . . . . 0.568 ' HB3' ' CD2' ' C' ' 44' ' ' PHE . 0.3 OUTLIER -62.53 -28.38 69.81 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.606 179.374 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' C' C ' 16' ' ' HIS . . . . . . . . . . . . . 19.5 t-80 -72.96 -45.58 57.18 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 178.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . 0.458 ' CD2' ' CE1' ' C' ' 21' ' ' TYR . 1.8 mt -62.2 -36.98 83.58 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.395 178.703 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . 0.431 ' CD2' ' CG1' ' D' ' 92' ' ' VAL . 43.5 mt -60.45 -50.72 72.46 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.069 -0.969 . . . . 0.0 110.853 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . 0.444 ' O ' ' HG3' ' C' ' 22' ' ' ARG . 1.9 tt0 -58.78 -35.07 72.21 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.121 0.486 . . . . 0.0 110.787 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 20' ' ' GLU . . . . . 0.48 ' O ' ' HG3' ' C' ' 24' ' ' LYS . 5.3 mm-40 -75.35 -38.25 60.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.325 179.544 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 21' ' ' TYR . . . . . 0.615 ' O ' ' HB2' ' C' ' 25' ' ' LEU . 14.7 m-30 -67.3 -48.91 66.23 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.678 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 22' ' ' ARG . . . . . 0.444 ' HG3' ' O ' ' C' ' 19' ' ' GLU . 0.0 OUTLIER -57.58 -43.38 84.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.881 0.372 . . . . 0.0 110.36 179.348 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 16.0 p -59.49 -35.37 73.99 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.761 179.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 24' ' ' LYS . . . . . 0.48 ' HG3' ' O ' ' C' ' 20' ' ' GLU . 0.0 OUTLIER -109.34 15.72 22.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.471 -179.933 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' C' C ' 25' ' ' LEU . . . . . 0.615 ' HB2' ' O ' ' C' ' 21' ' ' TYR . 0.0 OUTLIER -105.28 -64.5 1.13 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.12 0.486 . . . . 0.0 110.101 179.585 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' C' C ' 26' ' ' SER . . . . . 0.465 ' OG ' ' CG ' ' C' ' 34' ' ' ARG . 0.9 OUTLIER -59.6 -158.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.06 -179.572 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' C' C ' 27' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 60.39 28.95 18.61 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 120.952 0.406 . . . . 0.0 110.419 -179.696 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 28' ' ' THR . . . . . 0.503 ' CG2' ' H ' ' C' ' 29' ' ' GLU . 3.5 t -150.01 -59.29 0.2 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.717 -179.595 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 29' ' ' GLU . . . . . 0.503 ' H ' ' CG2' ' C' ' 28' ' ' THR . 17.3 pt-20 -175.31 28.12 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.267 -0.878 . . . . 0.0 111.252 -179.492 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -140.72 43.55 1.84 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.057 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.79 -55.11 38.39 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.436 0.636 . . . . 0.0 110.503 179.796 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -52.74 -42.57 65.05 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.636 178.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 33' ' ' LEU . . . . . 0.41 HD12 ' HB2' ' D' ' 95' ' ' SER . 5.1 tp -57.06 -35.44 69.36 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.977 178.801 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 34' ' ' ARG . . . . . 0.465 ' CG ' ' OG ' ' C' ' 26' ' ' SER . 1.4 ttt180 -60.34 -45.16 94.43 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.511 178.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 15.0 m -59.12 -35.06 72.8 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.239 179.15 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 36' ' ' SER . . . . . 0.486 ' O ' ' HG2' ' C' ' 39' ' ' ARG . 0.1 OUTLIER -70.06 -48.68 56.82 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.059 0.457 . . . . 0.0 110.306 179.507 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' C' C ' 37' ' ' ILE . . . . . 0.657 ' O ' HG12 ' C' ' 41' ' ' ILE . 69.0 mt -60.33 -38.35 77.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.856 178.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -64.7 -51.08 64.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.154 -0.93 . . . . 0.0 112.115 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 39' ' ' ARG . . . . . 0.486 ' HG2' ' O ' ' C' ' 36' ' ' SER . 4.3 ptp180 -55.17 -40.26 70.49 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.19 -179.53 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . 0.456 ' CG1' ' CD1' ' C' ' 44' ' ' PHE . 92.4 t -62.21 -40.25 86.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 178.28 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 41' ' ' ILE . . . . . 0.657 HG12 ' O ' ' C' ' 37' ' ' ILE . 11.6 mm -55.38 -57.28 7.95 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.178 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.36 179.438 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 13.8 t -59.96 -47.4 85.96 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.917 0.389 . . . . 0.0 110.713 -179.336 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 43' ' ' ILE . . . . . 0.459 ' O ' ' CG ' ' C' ' 49' ' ' PHE . 18.0 mt -60.34 -34.39 57.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.155 179.306 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 44' ' ' PHE . . . . . 0.568 ' CD2' ' HB3' ' C' ' 15' ' ' LEU . 1.6 m-85 -71.99 -57.19 4.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.511 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 45' ' ' GLN . . . . . 0.414 ' NE2' HG23 ' C' ' 41' ' ' ILE . 4.3 pt20 -80.48 1.61 28.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.576 -179.35 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 46' ' ' SER . . . . . 0.426 ' CB ' ' CE1' ' D' ' 129' ' ' TYR . 0.5 OUTLIER -48.2 148.44 1.83 Allowed 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 121.042 0.449 . . . . 0.0 111.231 -179.696 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -64.07 -40.35 96.06 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.012 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . 0.415 ' HG ' ' HA ' ' D' ' 129' ' ' TYR . 1.0 OUTLIER -79.49 -44.57 21.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.104 -179.859 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' C' C ' 49' ' ' PHE . . . . . 0.459 ' CG ' ' O ' ' C' ' 43' ' ' ILE . 19.2 t80 -51.21 -53.52 34.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.16 -179.602 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -60.42 -40.33 90.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.455 179.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.7 -39.41 84.5 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.314 -0.403 . . . . 0.0 109.992 179.106 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 1.7 mt -61.15 -43.57 98.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.749 178.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 53' ' ' ILE . . . . . 0.413 HG12 HD11 ' D' ' 125' ' ' LEU . 46.8 mt -54.69 -46.77 73.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.367 179.117 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -59.0 -39.57 82.25 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.566 179.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 55' ' ' ILE . . . . . 0.428 ' CG2' ' HB2' ' C' ' 59' ' ' TYR . 64.2 mt -58.14 -43.06 84.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.842 179.724 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.61 -22.9 5.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.818 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 57' ' ' GLU . . . . . 0.4 ' O ' ' CG ' ' C' ' 58' ' ' PHE . 11.7 pt-20 -47.87 -30.96 4.53 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.724 0.297 . . . . 0.0 111.549 -179.686 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 58' ' ' PHE . . . . . 0.406 ' CB ' ' HB2' ' A' ' 65' ' ' ASP . 46.0 m-85 -158.13 26.66 0.26 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.704 -179.64 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 59' ' ' TYR . . . . . 0.442 ' CE2' HD11 ' A' ' 63' ' ' LEU . 49.4 m-85 -132.1 71.66 1.48 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.851 0.358 . . . . 0.0 110.802 179.695 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -58.14 95.18 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.753 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 61' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -72.39 97.28 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.965 0.412 . . . . 0.0 110.645 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 62' ' ' THR . . . . . . . . . . . . . 1.3 m -85.6 110.94 19.61 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.085 -179.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 63' ' ' LEU . . . . . 0.44 ' CD1' ' CE1' ' A' ' 59' ' ' TYR . 0.3 OUTLIER -81.55 137.74 35.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.006 179.247 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' C' C ' 64' ' ' LEU . . . . . 0.404 ' CD2' ' N ' ' C' ' 64' ' ' LEU . 0.1 OUTLIER -123.21 -41.61 2.3 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 -179.023 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' C' C ' 65' ' ' ASP . . . . . 0.434 ' CB ' ' CE1' ' A' ' 58' ' ' PHE . 0.1 OUTLIER -156.08 15.21 0.34 Allowed 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 -179.111 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' C' C ' 66' ' ' ASN . . . . . 0.419 ' HB3' HD23 ' C' ' 63' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 CA-C-O 120.851 0.357 . . . . 0.0 110.437 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.539 0 N-CA-C 109.622 -1.391 . . . . 0.0 109.622 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D ' 82' ' ' LEU . . . . . . . . . . . . . 8.5 tt -87.29 -26.68 23.32 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 114.255 -0.973 . . . . 0.0 110.049 178.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 83' ' ' LEU . . . . . 0.601 ' O ' ' HB3' ' D' ' 87' ' ' ARG . 0.8 OUTLIER -66.03 -38.01 87.34 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.341 179.741 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' D' D ' 84' ' ' ALA . . . . . 0.786 ' O ' ' HB1' ' D' ' 88' ' ' ALA . . . -81.11 -16.87 51.84 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.633 -179.072 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 85' ' ' ALA . . . . . 0.423 ' CB ' ' CB ' ' D' ' 126' ' ' LEU . . . -52.14 -23.14 4.98 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.219 -0.592 . . . . 0.0 109.658 179.057 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 86' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -127.78 -37.51 1.94 Allowed 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.81 178.611 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 87' ' ' ARG . . . . . 0.601 ' HB3' ' O ' ' D' ' 83' ' ' LEU . 35.9 ttt85 -69.51 -35.8 75.84 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.793 179.721 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 88' ' ' ALA . . . . . 0.786 ' HB1' ' O ' ' D' ' 84' ' ' ALA . . . -75.44 -42.75 52.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.918 -179.629 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 89' ' ' VAL . . . . . 0.448 HG12 ' CD1' ' D' ' 117' ' ' PHE . 42.9 t -70.98 -36.49 63.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.16 179.342 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 90' ' ' SER . . . . . 0.422 ' HA ' ' HB2' ' D' ' 93' ' ' LEU . 86.4 p -75.2 -27.42 59.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.475 179.131 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 91' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -65.46 -57.3 8.62 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.683 179.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 92' ' ' VAL . . . . . 0.431 ' CG1' ' CD2' ' C' ' 18' ' ' LEU . 11.7 t -66.03 -27.98 42.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.884 179.029 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 93' ' ' LEU . . . . . 0.643 HD22 ' HA ' ' D' ' 114' ' ' HIS . 3.1 mt -65.39 -32.9 74.77 Favored 'General case' 0 N--CA 1.458 -0.047 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.056 179.665 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.05 -38.0 18.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.764 0.316 . . . . 0.0 111.263 -179.533 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 95' ' ' SER . . . . . 0.41 ' HB2' HD12 ' C' ' 33' ' ' LEU . 0.3 OUTLIER -80.13 -22.42 42.12 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.244 -0.435 . . . . 0.0 112.169 -179.275 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' D' D ' 96' ' ' LEU . . . . . 0.487 ' O ' ' HB ' ' D' ' 99' ' ' ILE . 0.2 OUTLIER -38.32 -52.28 1.52 Allowed 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -179.16 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -67.62 -30.5 70.09 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.204 -179.288 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 98' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.83 -34.59 73.86 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 177.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 99' ' ' ILE . . . . . 0.487 ' HB ' ' O ' ' D' ' 96' ' ' LEU . 37.7 mt -61.51 -49.35 84.78 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.785 0 CA-C-N 114.595 -1.184 . . . . 0.0 109.646 178.452 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 100' ' ' HIS . . . . . 0.519 ' HB2' ' CD1' ' D' ' 110' ' ' LEU . 1.9 t-160 -55.98 -34.84 66.11 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 178.105 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 101' ' ' ALA . . . . . . . . . . . . . . . -55.37 -45.82 76.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.413 -1.267 . . . . 0.0 111.927 179.405 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 102' ' ' LEU . . . . . 0.438 HD13 HD21 ' C' ' 25' ' ' LEU . 0.4 OUTLIER -117.18 28.52 8.45 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.577 -0.738 . . . . 0.0 112.757 -177.452 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' D' D ' 103' ' ' THR . . . . . 0.476 ' HB ' ' CD ' ' C' ' 24' ' ' LYS . 45.0 p -141.49 -35.89 0.45 Allowed 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 121.018 -0.273 . . . . 0.0 111.262 179.646 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 3.6 t0 74.87 27.53 1.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.003 0.43 . . . . 0.0 110.356 -179.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 105' ' ' SER . . . . . 0.434 ' HB3' ' CZ ' ' C' ' 21' ' ' TYR . 13.8 m -65.86 -10.18 35.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.281 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 106' ' ' SER . . . . . 0.42 ' CB ' ' O ' ' D' ' 105' ' ' SER . 3.9 t 81.63 121.7 0.05 OUTLIER 'General case' 0 C--O 1.233 0.196 0 CA-C-O 121.049 0.452 . . . . 0.0 110.996 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -54.03 -23.85 15.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.868 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.5 -54.23 48.01 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.055 0.455 . . . . 0.0 109.878 179.382 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 109' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -59.85 -40.37 88.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.65 178.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 110' ' ' LEU . . . . . 0.519 ' CD1' ' HB2' ' D' ' 100' ' ' HIS . 26.5 mt -59.66 -48.04 83.25 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.008 178.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 111' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -51.51 -44.72 62.66 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.788 179.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 112' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -60.51 -42.71 96.96 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.762 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 113' ' ' LEU . . . . . 0.425 HD21 ' CB ' ' C' ' 14' ' ' ALA . 0.4 OUTLIER -71.93 -37.9 69.95 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.401 -179.517 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' D' D ' 114' ' ' HIS . . . . . 0.643 ' HA ' HD22 ' D' ' 93' ' ' LEU . 98.7 m-70 -58.28 -34.38 70.47 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 178.302 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 115' ' ' SER . . . . . . . . . . . . . 22.5 t -74.75 -37.15 62.56 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 178.366 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 116' ' ' VAL . . . . . 0.414 ' O ' ' CD2' ' D' ' 122' ' ' LEU . 43.0 t -61.87 -26.45 39.94 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 CA-C-N 115.261 -0.881 . . . . 0.0 109.873 178.451 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 117' ' ' PHE . . . . . 0.448 ' CD1' HG12 ' D' ' 89' ' ' VAL . 33.3 m-85 -99.14 -30.45 12.29 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.996 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 118' ' ' GLN . . . . . 0.405 ' NE2' ' CD1' ' D' ' 93' ' ' LEU . 0.0 OUTLIER -65.1 -28.79 69.69 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.377 -179.486 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -43.09 128.89 4.56 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.961 0.41 . . . . 0.0 111.64 -179.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 120' ' ' GLN . . . . . . . . . . . . . 9.1 tp60 -69.91 -49.02 56.15 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.699 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 121' ' ' HIS . . . . . . . . . . . . . 54.2 m80 -55.87 -34.1 65.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.432 179.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 122' ' ' LEU . . . . . 0.486 ' HA ' HD12 ' D' ' 125' ' ' LEU . 52.6 tp -55.98 -49.28 74.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.139 179.56 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 123' ' ' HIS . . . . . 0.676 ' HA ' ' CD1' ' D' ' 126' ' ' LEU . 11.0 m-70 -53.01 -26.94 17.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.227 179.096 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 124' ' ' THR . . . . . 0.401 HG23 ' CD1' ' D' ' 128' ' ' LEU . 6.5 m -75.98 -33.83 59.76 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.881 179.239 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 125' ' ' LEU . . . . . 0.486 HD12 ' HA ' ' D' ' 122' ' ' LEU . 16.2 mt -65.37 -44.71 86.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.275 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 126' ' ' LEU . . . . . 0.676 ' CD1' ' HA ' ' D' ' 123' ' ' HIS . 0.2 OUTLIER -71.59 -39.48 70.51 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.694 0.283 . . . . 0.0 110.961 -179.737 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' D' D ' 127' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -59.84 -53.12 61.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.082 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 128' ' ' LEU . . . . . 0.416 HD22 ' CD1' ' A' ' 59' ' ' TYR . 4.7 mt -70.81 -33.15 70.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.835 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 129' ' ' TYR . . . . . 0.426 ' CE1' ' CB ' ' C' ' 46' ' ' SER . 2.2 t80 -55.99 -51.83 66.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.045 0.45 . . . . 0.0 110.688 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 130' ' ' ASP . . . . . 0.408 ' OD1' ' CE2' ' D' ' 129' ' ' TYR . 39.9 m-20 -76.86 -29.88 56.05 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.149 179.571 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 131' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.41 -48.61 81.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.909 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 132' ' ' ILE . . . . . . . . . . . . . 2.9 mt -74.98 -39.5 44.55 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 CA-C-O 121.024 0.44 . . . . 0.0 110.616 179.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 133' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -68.5 -26.61 65.55 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.957 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 134' ' ' THR . . . . . 0.4 ' O ' ' CG2' ' D' ' 134' ' ' THR . 62.0 m -109.99 40.58 1.89 Allowed 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 121.118 0.485 . . . . 0.0 110.95 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 135' ' ' LYS . . . . . . . . . . . . . 1.5 tptt -120.53 -40.66 2.65 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.764 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 136' ' ' SER . . . . . . . . . . . . . 90.5 p . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.12 -179.93 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.408 0 CA-C-O 120.631 0.253 . . . . 0.0 110.322 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.6 tttm -63.73 -39.17 93.63 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 179.059 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 53.6 mm-40 -74.49 -28.94 61.23 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.926 178.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -79.79 -30.05 40.51 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.473 179.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.5 p -73.03 -40.4 65.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.52 179.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -71.06 -43.14 68.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.246 179.517 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.5 tpm_? -71.2 -24.01 62.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.99 179.121 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.439 ' O ' HD22 ' B' ' 113' ' ' LEU . . . -78.62 -53.65 6.95 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.64 179.049 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.531 ' CD2' ' HB3' ' A' ' 44' ' ' PHE . 0.4 OUTLIER -63.24 -28.73 70.23 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.858 179.637 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -73.87 -44.26 55.99 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-O 121.067 0.461 . . . . 0.0 110.087 179.151 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.435 HD21 ' CE1' ' A' ' 21' ' ' TYR . 1.4 mt -61.5 -49.44 76.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.69 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.498 HD12 ' HA ' ' A' ' 15' ' ' LEU . 1.2 mt -61.94 -35.7 79.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.454 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.02 -43.75 86.91 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.248 0.547 . . . . 0.0 110.063 179.197 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -73.37 -33.22 64.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.847 179.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.714 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 6.8 m-30 -64.29 -48.29 76.26 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.389 179.698 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.418 ' HG3' ' N ' ' A' ' 23' ' ' SER . 3.8 ptm180 -59.3 -44.03 92.57 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.779 0.323 . . . . 0.0 110.403 179.533 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.418 ' N ' ' HG3' ' A' ' 22' ' ' ARG . 26.8 m -57.91 -32.86 68.15 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.362 179.279 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.59 13.89 21.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.177 179.721 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.714 ' HB2' ' O ' ' A' ' 21' ' ' TYR . 0.2 OUTLIER -100.18 -64.1 1.07 Allowed 'General case' 0 CA--C 1.52 -0.201 0 CA-C-O 121.082 0.468 . . . . 0.0 110.367 179.699 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.425 ' HB2' ' HB2' ' A' ' 34' ' ' ARG . 35.6 t -64.91 -148.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.387 -179.742 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.41 ' OE1' ' NH1' ' A' ' 31' ' ' ARG . 1.0 OUTLIER 54.79 24.88 6.04 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 121.159 0.504 . . . . 0.0 110.399 -179.548 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.461 ' CG2' ' H ' ' A' ' 29' ' ' GLU . 6.2 t -149.01 -55.36 0.19 Allowed 'General case' 0 CA--C 1.516 -0.329 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.516 -179.218 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.461 ' H ' ' CG2' ' A' ' 28' ' ' THR . 16.6 pt-20 -176.59 28.03 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.398 -179.484 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.441 ' HB3' ' HB3' ' A' ' 33' ' ' LEU . 0.1 OUTLIER -138.73 53.69 1.77 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.901 0.381 . . . . 0.0 110.713 -179.778 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.41 ' NH1' ' OE1' ' A' ' 27' ' ' GLN . 15.9 mmm180 -66.31 -53.39 37.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.15 0.5 . . . . 0.0 110.03 179.694 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 20.5 tp60 -59.98 -47.42 85.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.518 178.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.441 ' HB3' ' HB3' ' A' ' 30' ' ' ASP . 13.7 tp -55.27 -33.58 63.33 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.121 178.803 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.425 ' HB2' ' HB2' ' A' ' 26' ' ' SER . 6.4 ttp180 -60.38 -48.96 79.49 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.285 179.033 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.4 m -57.96 -31.56 66.99 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.256 178.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.461 ' HB2' ' HB3' ' B' ' 91' ' ' GLN . 1.1 p -65.89 -51.52 57.99 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.093 0.473 . . . . 0.0 110.547 179.536 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.57 ' O ' HG12 ' A' ' 41' ' ' ILE . 6.2 mt -55.31 -42.94 69.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.263 0.554 . . . . 0.0 109.552 178.815 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -55.45 -43.68 75.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.986 -1.006 . . . . 0.0 110.835 179.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.433 ' HD2' ' HA ' ' A' ' 36' ' ' SER . 13.3 mtt180 -55.57 -50.39 70.2 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-O 121.309 0.576 . . . . 0.0 109.924 179.382 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.524 HG12 ' CZ ' ' B' ' 117' ' ' PHE . 86.6 t -59.93 -34.17 55.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.478 179.707 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.57 HG12 ' O ' ' A' ' 37' ' ' ILE . 6.7 mm -70.24 -54.61 17.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.55 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 26.2 t -62.45 -47.96 81.75 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-O 120.849 0.357 . . . . 0.0 110.947 -179.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.492 HD11 HG22 ' A' ' 43' ' ' ILE . 8.7 mt -59.83 -32.92 50.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.206 179.502 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.531 ' HB3' ' CD2' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -71.95 -56.7 5.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.056 -0.52 . . . . 0.0 112.141 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.474 ' HG2' ' O ' ' A' ' 41' ' ' ILE . 5.8 pt20 -78.16 -0.65 29.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 112.002 -178.495 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.415 ' OG ' ' CE1' ' B' ' 129' ' ' TYR . 0.2 OUTLIER -51.62 130.96 29.36 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.824 0.345 . . . . 0.0 110.822 179.898 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -50.44 -34.55 25.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.569 -179.472 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.438 ' HG ' ' HA ' ' B' ' 129' ' ' TYR . 1.7 tp -79.25 -43.55 23.52 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.261 -179.74 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.415 ' CE2' HD12 ' A' ' 53' ' ' ILE . 28.8 t80 -51.17 -54.61 23.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.691 0.281 . . . . 0.0 111.285 -179.597 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -54.09 -38.91 65.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.949 0.404 . . . . 0.0 110.712 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.94 -46.84 87.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.644 179.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.4 mt -60.32 -45.97 91.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.39 179.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.449 HD13 HG22 ' A' ' 53' ' ' ILE . 50.1 mt -54.45 -36.44 34.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.662 179.483 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.16 -36.1 74.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.255 179.344 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.413 HD11 HG22 ' A' ' 55' ' ' ILE . 99.7 mt -63.38 -43.42 98.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.722 179.597 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -52.53 -22.18 4.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.49 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.421 ' O ' ' CD1' ' A' ' 58' ' ' PHE . 36.2 mt-10 -45.08 -34.57 2.64 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.394 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.469 ' CD1' ' HB2' ' C' ' 65' ' ' ASP . 27.7 m-85 -157.58 25.5 0.28 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.622 -179.715 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.468 ' CE2' ' CD1' ' C' ' 63' ' ' LEU . 11.6 m-85 -129.93 70.44 1.43 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.703 179.601 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.412 ' HB2' ' HB ' ' C' ' 62' ' ' THR . 1.5 mt-10 -58.58 94.48 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.837 0.351 . . . . 0.0 111.043 -179.769 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -72.94 104.51 2.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.117 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.8 m -87.01 120.56 28.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.483 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.442 ' CD1' ' CE2' ' C' ' 59' ' ' TYR . 0.1 OUTLIER -91.41 129.64 37.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 179.897 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.44 ' CD2' ' N ' ' A' ' 64' ' ' LEU . 0.1 OUTLIER -117.65 -16.43 10.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.36 -179.716 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.13 -5.48 44.5 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.532 -0.303 . . . . 0.0 110.922 179.621 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.332 -0.174 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.39 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.483 0 N-CA-C 109.894 -1.282 . . . . 0.0 109.894 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 9.3 tt -89.29 -26.39 21.17 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.18 -1.01 . . . . 0.0 110.195 178.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . 0.606 ' O ' ' HB3' ' B' ' 87' ' ' ARG . 0.7 OUTLIER -67.96 -39.18 83.42 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.959 -179.768 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . 0.558 ' O ' ' HB2' ' B' ' 88' ' ' ALA . . . -75.47 -21.51 58.03 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.454 -178.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 85' ' ' ALA . . . . . 0.444 ' HB2' ' HB3' ' B' ' 126' ' ' LEU . . . -52.55 -24.61 8.52 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.134 0.492 . . . . 0.0 110.207 179.44 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -124.8 -42.39 2.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.544 178.697 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 87' ' ' ARG . . . . . 0.606 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 33.6 ttt85 -61.05 -46.63 89.93 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.195 178.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . 0.558 ' HB2' ' O ' ' B' ' 84' ' ' ALA . . . -69.02 -46.06 68.94 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.843 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 89' ' ' VAL . . . . . 0.443 HG11 ' CD1' ' B' ' 117' ' ' PHE . 60.7 t -56.83 -50.34 75.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.519 179.416 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 15.6 t -70.93 -21.15 62.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.683 179.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 91' ' ' GLN . . . . . 0.461 ' HB3' ' HB2' ' A' ' 36' ' ' SER . 0.3 OUTLIER -67.51 -57.68 6.08 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-O 121.389 0.614 . . . . 0.0 110.073 179.744 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 92' ' ' VAL . . . . . 0.418 HG22 ' HA ' ' A' ' 37' ' ' ILE . 4.9 t -68.59 -27.97 38.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.157 179.33 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . 0.653 HD21 ' HA ' ' B' ' 114' ' ' HIS . 0.7 OUTLIER -70.88 -28.5 64.61 Favored 'General case' 0 C--O 1.231 0.096 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 179.411 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -88.08 -37.04 16.58 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.822 0.344 . . . . 0.0 111.465 -179.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 2.3 m -79.84 -16.76 54.81 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.233 -0.439 . . . . 0.0 112.0 -179.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . 0.558 HD21 ' CD2' ' B' ' 110' ' ' LEU . 0.1 OUTLIER -39.5 -52.14 2.14 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -179.447 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -65.4 -30.44 71.26 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.123 -179.189 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . 0.414 ' O ' ' CB ' ' B' ' 101' ' ' ALA . 0.1 OUTLIER -70.97 -35.98 72.37 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 178.334 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 99' ' ' ILE . . . . . 0.501 HG12 ' CD1' ' A' ' 25' ' ' LEU . 59.2 mt -61.57 -49.32 84.87 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.718 0 CA-C-N 114.646 -1.161 . . . . 0.0 109.562 178.357 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . 0.469 ' HB2' HD11 ' B' ' 110' ' ' LEU . 8.6 t-160 -53.52 -37.5 62.85 Favored 'General case' 0 CA--C 1.516 -0.354 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 177.725 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . 0.414 ' CB ' ' O ' ' B' ' 98' ' ' GLU . . . -55.11 -44.95 75.44 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 113.889 -1.505 . . . . 0.0 111.973 179.437 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 102' ' ' LEU . . . . . 0.402 ' CD1' HD23 ' A' ' 25' ' ' LEU . 0.5 OUTLIER -121.36 31.37 6.35 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 113.229 0.825 . . . . 0.0 113.229 -177.218 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 103' ' ' THR . . . . . 0.442 HG22 ' O ' ' B' ' 99' ' ' ILE . 44.2 p -146.19 -38.47 0.23 Allowed 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.843 -0.343 . . . . 0.0 111.622 179.439 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 1.8 t0 75.8 28.69 0.87 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.935 0.398 . . . . 0.0 110.18 -179.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 105' ' ' SER . . . . . 0.421 ' OG ' ' CZ ' ' A' ' 21' ' ' TYR . 3.7 m -60.63 -15.2 25.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.551 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 106' ' ' SER . . . . . 0.407 ' CB ' ' O ' ' B' ' 105' ' ' SER . 0.3 OUTLIER 79.11 127.25 0.05 OUTLIER 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 120.873 0.368 . . . . 0.0 110.643 -179.767 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . 0.467 ' HA ' HD13 ' B' ' 110' ' ' LEU . 3.3 mt-10 -57.48 -20.79 33.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.23 -179.759 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 10.1 mmtm -63.01 -55.39 26.09 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.995 0.426 . . . . 0.0 110.195 179.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -66.42 -34.98 79.16 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.751 178.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 110' ' ' LEU . . . . . 0.558 ' CD2' HD21 ' B' ' 96' ' ' LEU . 14.3 mt -67.0 -37.23 83.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.37 179.369 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -65.41 -40.84 93.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.307 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -60.6 -47.3 86.8 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.169 179.435 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 113' ' ' LEU . . . . . 0.439 HD22 ' O ' ' A' ' 14' ' ' ALA . 0.5 OUTLIER -68.97 -39.34 79.5 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.219 179.537 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 114' ' ' HIS . . . . . 0.653 ' HA ' HD21 ' B' ' 93' ' ' LEU . 0.2 OUTLIER -53.2 -38.82 63.19 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 178.939 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 115' ' ' SER . . . . . 0.499 ' HA ' ' HB2' ' B' ' 118' ' ' GLN . 1.5 m -74.81 -34.79 62.43 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.613 178.594 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 116' ' ' VAL . . . . . 0.405 HG11 ' CB ' ' A' ' 14' ' ' ALA . 29.5 t -56.23 -23.79 16.83 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.071 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.443 178.468 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 117' ' ' PHE . . . . . 0.524 ' CZ ' HG12 ' A' ' 40' ' ' VAL . 68.9 m-85 -108.26 -20.27 13.2 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.183 179.375 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 118' ' ' GLN . . . . . 0.579 ' HG2' ' O ' ' B' ' 114' ' ' HIS . 14.7 mm-40 -61.13 -39.63 90.75 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-O 120.995 0.426 . . . . 0.0 110.596 179.433 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -44.23 138.63 2.96 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.966 -179.164 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -81.57 -42.88 19.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.44 179.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -55.91 -33.77 64.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.339 179.301 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . 0.491 ' HG ' HD11 ' B' ' 126' ' ' LEU . 55.1 tp -55.38 -46.43 76.51 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.846 179.641 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 123' ' ' HIS . . . . . 0.683 ' HA ' ' CD1' ' B' ' 126' ' ' LEU . 0.0 OUTLIER -53.2 -28.08 24.89 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 121.165 0.507 . . . . 0.0 109.872 178.66 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 2.8 m -77.16 -32.62 56.34 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.167 179.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 20.9 mt -68.2 -43.77 77.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.31 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . 0.683 ' CD1' ' HA ' ' B' ' 123' ' ' HIS . 0.2 OUTLIER -73.39 -37.18 66.05 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.735 179.925 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.68 -53.09 62.09 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.324 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . 0.43 HD23 ' CE2' ' C' ' 59' ' ' TYR . 4.5 mt -70.99 -35.15 71.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.145 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 129' ' ' TYR . . . . . 0.438 ' HA ' ' HG ' ' A' ' 48' ' ' LEU . 0.4 OUTLIER -55.17 -50.75 68.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.038 -179.451 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 130' ' ' ASP . . . . . 0.408 ' OD1' ' CE2' ' B' ' 129' ' ' TYR . 14.2 m-20 -75.72 -33.54 60.31 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.327 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -54.88 -50.14 69.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.04 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 132' ' ' ILE . . . . . 0.436 ' HB ' ' CD2' ' A' ' 48' ' ' LEU . 2.0 mt -76.75 -38.69 30.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.968 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 133' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -65.79 -25.78 67.4 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.558 -179.207 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 90.1 m -78.97 -49.68 12.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.834 0.35 . . . . 0.0 110.824 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 165.57 -26.36 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.928 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 10.7 p . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.996 -179.829 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.203 0 CA-C-O 120.343 0.116 . . . . 0.0 110.726 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 8' ' ' LYS . . . . . 0.402 ' HG2' ' CG2' ' C' ' 53' ' ' ILE . 1.7 mmmm -69.13 -35.8 76.79 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 179.263 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -77.12 -30.67 55.32 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.518 178.428 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -79.49 -29.71 41.75 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.73 178.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 11' ' ' THR . . . . . 0.446 ' CG2' ' CD2' ' C' ' 44' ' ' PHE . 55.5 m -73.18 -50.43 22.59 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.126 179.382 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 12' ' ' GLN . . . . . 0.446 ' O ' ' HB2' ' C' ' 16' ' ' HIS . 0.6 OUTLIER -65.28 -35.72 81.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.109 179.375 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.55 -24.72 60.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.114 179.098 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 14' ' ' ALA . . . . . 0.456 ' O ' HD21 ' D' ' 113' ' ' LEU . . . -78.57 -55.07 5.48 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 178.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 15' ' ' LEU . . . . . 0.592 ' HB3' ' CD2' ' C' ' 44' ' ' PHE . 0.4 OUTLIER -61.01 -26.71 67.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.229 179.426 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' C' C ' 16' ' ' HIS . . . . . 0.446 ' HB2' ' O ' ' C' ' 12' ' ' GLN . 17.8 t-80 -73.86 -50.45 20.24 Favored 'General case' 0 CA--C 1.519 -0.23 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 178.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . 0.445 HD23 ' CZ ' ' C' ' 21' ' ' TYR . 1.0 OUTLIER -56.15 -39.25 72.02 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.345 178.693 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . 0.476 ' HB3' ' CG2' ' C' ' 37' ' ' ILE . 50.3 mt -62.77 -44.52 95.96 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.641 -1.163 . . . . 0.0 110.822 179.587 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -59.15 -34.93 72.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.982 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.5 -39.99 57.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.973 0.416 . . . . 0.0 110.504 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 21' ' ' TYR . . . . . 0.585 ' O ' ' HB2' ' C' ' 25' ' ' LEU . 21.9 m-85 -66.65 -47.43 72.56 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.631 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 22' ' ' ARG . . . . . 0.513 ' HG3' ' N ' ' C' ' 23' ' ' SER . 0.0 OUTLIER -57.8 -48.26 80.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.783 179.808 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' C' C ' 23' ' ' SER . . . . . 0.513 ' N ' ' HG3' ' C' ' 22' ' ' ARG . 1.3 p -56.5 -37.2 70.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.033 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 24' ' ' LYS . . . . . 0.4 ' NZ ' ' HB ' ' D' ' 103' ' ' THR . 0.0 OUTLIER -101.52 8.73 41.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.448 179.886 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' C' C ' 25' ' ' LEU . . . . . 0.585 ' HB2' ' O ' ' C' ' 21' ' ' TYR . 0.2 OUTLIER -93.38 -62.56 1.35 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.041 0.448 . . . . 0.0 111.483 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' C' C ' 26' ' ' SER . . . . . 0.653 ' HB2' ' HD2' ' C' ' 31' ' ' ARG . 27.7 p -58.45 -18.36 28.04 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.706 -0.679 . . . . 0.0 112.301 -178.586 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 27' ' ' GLN . . . . . 0.48 ' OE1' ' OG ' ' C' ' 26' ' ' SER . 1.1 mm100 -76.4 51.34 0.71 Allowed 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.465 -179.272 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 28' ' ' THR . . . . . 0.476 ' CG2' ' N ' ' C' ' 29' ' ' GLU . 3.1 t -176.15 -55.74 0.01 OUTLIER 'General case' 0 C--N 1.334 -0.09 0 CA-C-O 120.683 0.278 . . . . 0.0 111.724 179.299 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 29' ' ' GLU . . . . . 0.476 ' N ' ' CG2' ' C' ' 28' ' ' THR . 17.5 pt-20 -178.01 26.33 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.752 -179.554 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 30' ' ' ASP . . . . . 0.4 ' HB3' ' HB3' ' C' ' 33' ' ' LEU . 5.3 m-20 -131.81 50.16 2.26 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.891 -179.814 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . 0.653 ' HD2' ' HB2' ' C' ' 26' ' ' SER . 22.3 mmm180 -66.92 -51.33 56.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.487 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 8.0 tp60 -59.12 -45.35 91.13 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.229 0.538 . . . . 0.0 109.774 178.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 33' ' ' LEU . . . . . 0.417 ' CD2' ' HB3' ' D' ' 95' ' ' SER . 7.2 tp -55.56 -37.34 67.88 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.352 179.022 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 34' ' ' ARG . . . . . 0.629 ' HB2' ' HB3' ' C' ' 26' ' ' SER . 6.7 ttt180 -60.13 -42.28 94.47 Favored 'General case' 0 CA--C 1.516 -0.346 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 178.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 10.8 t -55.72 -39.92 71.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.969 178.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 36' ' ' SER . . . . . 0.406 ' O ' ' HB2' ' C' ' 39' ' ' ARG . 2.2 m -65.55 -51.52 59.26 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.244 179.13 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 37' ' ' ILE . . . . . 0.625 ' O ' HG12 ' C' ' 41' ' ' ILE . 40.6 mt -57.13 -36.39 51.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 178.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -62.36 -40.74 97.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.143 179.314 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 39' ' ' ARG . . . . . 0.551 ' CD ' ' HB2' ' D' ' 88' ' ' ALA . 17.6 mtt180 -55.51 -50.49 69.82 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.426 179.075 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . 0.557 ' O ' ' HB2' ' C' ' 44' ' ' PHE . 19.7 t -61.06 -30.73 48.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.87 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 41' ' ' ILE . . . . . 0.625 HG12 ' O ' ' C' ' 37' ' ' ILE . 12.5 mm -69.14 -51.76 40.33 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 N-CA-C 111.827 0.306 . . . . 0.0 111.827 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 11.4 t -65.38 -48.97 71.05 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-O 120.927 0.394 . . . . 0.0 111.199 -178.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 43' ' ' ILE . . . . . 0.49 HD12 HG21 ' C' ' 43' ' ' ILE . 9.2 mt -59.47 -34.37 54.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.543 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.54 179.759 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 44' ' ' PHE . . . . . 0.592 ' CD2' ' HB3' ' C' ' 15' ' ' LEU . 3.0 m-85 -71.9 -54.05 11.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.086 -0.506 . . . . 0.0 112.26 -179.694 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 45' ' ' GLN . . . . . 0.476 ' HG2' ' O ' ' C' ' 41' ' ' ILE . 3.7 pt20 -79.5 -0.96 35.4 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -178.427 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 46' ' ' SER . . . . . 0.423 ' OG ' ' CE1' ' D' ' 129' ' ' TYR . 0.3 OUTLIER -52.41 141.78 18.96 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.839 0.352 . . . . 0.0 110.853 179.937 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -60.59 -39.69 89.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.532 -179.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . 0.46 ' CD2' ' HB ' ' D' ' 132' ' ' ILE . 1.2 tp -77.75 -43.04 32.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.17 -179.684 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 49' ' ' PHE . . . . . 0.468 ' CG ' ' O ' ' C' ' 43' ' ' ILE . 82.8 t80 -50.92 -54.26 25.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.08 -179.417 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 41.5 mm-40 -55.51 -35.81 66.02 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.875 0.369 . . . . 0.0 110.446 179.424 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.91 -48.6 80.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.471 179.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 52' ' ' LEU . . . . . 0.421 ' CD1' ' N ' ' D' ' 129' ' ' TYR . 5.9 mt -57.61 -43.3 84.64 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.077 179.192 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 53' ' ' ILE . . . . . 0.402 ' CG2' ' HG2' ' C' ' 8' ' ' LYS . 37.0 mt -56.08 -36.03 43.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.164 179.18 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.07 -28.76 62.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.545 179.328 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 55' ' ' ILE . . . . . . . . . . . . . 70.2 mt -74.82 -45.15 44.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.158 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 56' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -49.71 -22.48 1.39 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.887 -179.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 57' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -43.21 -46.6 6.14 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.742 0.306 . . . . 0.0 111.481 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 58' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -145.33 33.09 1.08 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.017 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 59' ' ' TYR . . . . . 0.442 ' CE2' ' CD1' ' A' ' 63' ' ' LEU . 52.6 m-85 -133.99 69.74 1.46 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.512 179.623 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -60.4 96.18 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 61' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -72.98 96.97 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.555 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 62' ' ' THR . . . . . 0.412 ' HB ' ' HB2' ' A' ' 60' ' ' GLU . 11.8 m -74.07 119.98 19.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.895 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 63' ' ' LEU . . . . . 0.549 ' CD2' ' HB2' ' C' ' 66' ' ' ASN . 1.1 mp -89.8 127.2 35.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.668 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -120.0 -14.98 8.84 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 65' ' ' ASP . . . . . 0.469 ' HB2' ' CD1' ' A' ' 58' ' ' PHE . 8.4 t70 -136.5 6.49 3.0 Favored 'General case' 0 C--O 1.232 0.169 0 N-CA-C 112.219 0.451 . . . . 0.0 112.219 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 66' ' ' ASN . . . . . 0.549 ' HB2' ' CD2' ' C' ' 63' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.358 0 CA-C-O 120.547 0.213 . . . . 0.0 111.311 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.512 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 82' ' ' LEU . . . . . 0.56 ' CD2' ' N ' ' D' ' 82' ' ' LEU . 0.4 OUTLIER -73.66 -36.31 65.35 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.366 0.603 . . . . 0.0 109.411 178.868 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' D' D ' 83' ' ' LEU . . . . . 0.639 ' O ' ' HB2' ' D' ' 87' ' ' ARG . 0.4 OUTLIER -55.8 -42.4 75.58 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.251 -179.85 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' D' D ' 84' ' ' ALA . . . . . 0.847 ' HA ' ' HB2' ' D' ' 87' ' ' ARG . . . -113.6 1.57 15.0 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.675 -0.693 . . . . 0.0 112.405 -177.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 85' ' ' ALA . . . . . 0.439 ' CB ' ' HB3' ' D' ' 126' ' ' LEU . . . -53.08 -25.92 14.46 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 108.145 -1.058 . . . . 0.0 108.145 177.391 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 86' ' ' GLU . . . . . 0.423 ' HG3' ' CE1' ' D' ' 123' ' ' HIS . 0.6 OUTLIER -120.25 -31.37 4.4 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 114.642 -1.163 . . . . 0.0 109.533 178.126 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' D' D ' 87' ' ' ARG . . . . . 0.847 ' HB2' ' HA ' ' D' ' 84' ' ' ALA . 0.9 OUTLIER -66.83 -53.95 27.41 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 121.162 0.506 . . . . 0.0 109.947 179.04 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' D' D ' 88' ' ' ALA . . . . . 0.551 ' HB2' ' CD ' ' C' ' 39' ' ' ARG . . . -56.3 -41.63 76.25 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.497 179.729 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 89' ' ' VAL . . . . . 0.549 ' CG1' ' HB3' ' D' ' 117' ' ' PHE . 98.7 t -68.37 -50.37 57.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.804 178.694 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 5.5 t -62.7 -24.85 67.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.537 179.303 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 91' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -67.54 -51.02 55.8 Favored 'General case' 0 CA--C 1.516 -0.354 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 179.382 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 92' ' ' VAL . . . . . 0.412 HG22 ' CG2' ' C' ' 40' ' ' VAL . 11.9 t -74.35 -28.49 22.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.894 178.791 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 93' ' ' LEU . . . . . 0.554 ' CD2' ' HA ' ' D' ' 114' ' ' HIS . 1.4 mt -69.16 -27.07 65.2 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.835 179.249 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.31 -43.42 10.95 Favored 'General case' 0 C--N 1.334 -0.093 0 CA-C-O 120.925 0.393 . . . . 0.0 111.175 -179.815 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 95' ' ' SER . . . . . 0.417 ' HB3' ' CD2' ' C' ' 33' ' ' LEU . 0.5 OUTLIER -79.69 -16.93 54.79 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.993 -179.494 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' D' D ' 96' ' ' LEU . . . . . 0.471 ' O ' ' HB ' ' D' ' 99' ' ' ILE . 0.1 OUTLIER -41.22 -50.49 3.6 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.022 0.439 . . . . 0.0 111.853 -179.526 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -68.94 -28.71 66.9 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.058 -179.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 98' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.49 -34.61 72.55 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 178.119 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 99' ' ' ILE . . . . . 0.471 ' HB ' ' O ' ' D' ' 96' ' ' LEU . 73.0 mt -60.08 -49.57 83.54 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.681 0 CA-C-N 114.591 -1.186 . . . . 0.0 109.449 178.146 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 100' ' ' HIS . . . . . 0.498 ' HB2' ' CD1' ' D' ' 110' ' ' LEU . 1.8 t-160 -56.35 -34.95 67.11 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 178.232 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 101' ' ' ALA . . . . . . . . . . . . . . . -55.67 -43.92 76.78 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.577 -1.192 . . . . 0.0 111.679 179.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 102' ' ' LEU . . . . . 0.437 ' CD1' ' CD2' ' C' ' 25' ' ' LEU . 0.3 OUTLIER -118.4 24.83 10.69 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -177.529 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' D' D ' 103' ' ' THR . . . . . 0.453 ' OG1' ' O ' ' D' ' 99' ' ' ILE . 37.7 p -141.63 -23.7 0.72 Allowed 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.095 0.405 . . . . 0.0 112.095 179.748 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 1.8 t0 67.46 23.83 8.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.078 0.466 . . . . 0.0 110.557 -179.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 105' ' ' SER . . . . . 0.425 ' HB3' ' CE1' ' C' ' 21' ' ' TYR . 32.7 m -62.3 -16.1 51.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.119 179.77 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 106' ' ' SER . . . . . . . . . . . . . 4.2 t 78.9 124.64 0.04 OUTLIER 'General case' 0 C--O 1.232 0.163 0 CA-C-O 121.017 0.437 . . . . 0.0 111.043 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -54.16 -24.17 17.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.854 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 4.8 mmtt -59.02 -54.56 45.76 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.026 0.441 . . . . 0.0 110.034 179.455 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 109' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -61.5 -40.37 94.35 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.833 179.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 110' ' ' LEU . . . . . 0.498 ' CD1' ' HB2' ' D' ' 100' ' ' HIS . 83.9 mt -61.96 -39.85 93.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.351 179.323 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 111' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -60.06 -43.1 95.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.406 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 112' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -58.72 -47.25 85.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.174 179.563 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 113' ' ' LEU . . . . . 0.456 HD21 ' O ' ' C' ' 14' ' ' ALA . 0.5 OUTLIER -70.22 -33.01 71.15 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.425 179.861 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' D' D ' 114' ' ' HIS . . . . . 0.554 ' HA ' ' CD2' ' D' ' 93' ' ' LEU . 0.1 OUTLIER -57.57 -33.96 68.7 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 178.189 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' D' D ' 115' ' ' SER . . . . . 0.424 ' HA ' ' HB2' ' D' ' 118' ' ' GLN . 14.8 m -74.94 -38.88 61.64 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.013 178.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 116' ' ' VAL . . . . . 0.443 ' O ' ' CD2' ' D' ' 122' ' ' LEU . 54.0 t -57.26 -23.55 19.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.311 -0.859 . . . . 0.0 109.702 178.289 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 117' ' ' PHE . . . . . 0.549 ' HB3' ' CG1' ' D' ' 89' ' ' VAL . 25.8 m-85 -103.45 -37.58 7.53 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.585 -179.626 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 118' ' ' GLN . . . . . 0.467 ' NE2' ' O ' ' D' ' 114' ' ' HIS . 0.6 OUTLIER -55.23 -32.91 62.67 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.49 -178.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -46.09 138.96 4.83 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.636 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 120' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -80.88 -45.67 16.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.769 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 121' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -55.78 -33.95 64.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.553 179.628 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 122' ' ' LEU . . . . . 0.443 ' CD2' ' O ' ' D' ' 116' ' ' VAL . 53.9 tp -55.58 -49.57 72.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.307 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 123' ' ' HIS . . . . . 0.631 ' HA ' ' CD1' ' D' ' 126' ' ' LEU . 93.4 m-70 -50.83 -27.47 7.43 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.192 0.52 . . . . 0.0 110.034 178.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 124' ' ' THR . . . . . . . . . . . . . 2.0 m -76.56 -35.86 57.95 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.848 179.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 125' ' ' LEU . . . . . 0.401 ' HG ' ' HA ' ' D' ' 122' ' ' LEU . 11.9 mt -67.21 -37.63 83.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.496 179.441 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 126' ' ' LEU . . . . . 0.631 ' CD1' ' HA ' ' D' ' 123' ' ' HIS . 0.9 OUTLIER -68.93 -49.33 59.01 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.669 179.784 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' D' D ' 127' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.79 -53.28 59.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.285 -179.767 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 128' ' ' LEU . . . . . 0.413 HD23 ' CD2' ' A' ' 59' ' ' TYR . 52.5 mt -62.53 -36.98 84.32 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.18 -179.669 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 129' ' ' TYR . . . . . 0.423 ' CE1' ' OG ' ' C' ' 46' ' ' SER . 0.3 OUTLIER -55.8 -52.25 64.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.887 0.375 . . . . 0.0 110.96 -179.344 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' D' D ' 130' ' ' ASP . . . . . 0.453 ' HB3' ' CD2' ' D' ' 82' ' ' LEU . 7.8 t70 -76.19 -28.97 57.48 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.078 179.785 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.86 -54.01 47.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.847 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 132' ' ' ILE . . . . . 0.46 ' HB ' ' CD2' ' C' ' 48' ' ' LEU . 1.6 mt -75.46 -38.15 39.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.757 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 133' ' ' ASN . . . . . 0.416 ' HB2' HD23 ' C' ' 48' ' ' LEU . 27.8 t-20 -63.83 -28.14 69.65 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.215 -179.644 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 134' ' ' THR . . . . . . . . . . . . . 89.5 m -85.5 -31.48 22.73 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.941 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 135' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.32 -35.29 58.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.55 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 136' ' ' SER . . . . . . . . . . . . . 12.5 t . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.98 -179.706 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.6 ttm180 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.73 -38.33 88.86 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-O 121.255 0.55 . . . . 0.0 109.525 179.006 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 50.1 mm-40 -74.99 -30.61 61.21 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.806 178.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -78.91 -29.59 44.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.919 179.19 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.437 HG21 ' CE2' ' A' ' 44' ' ' PHE . 58.6 m -70.08 -45.7 66.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.359 179.62 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -69.61 -38.49 77.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.291 -0.413 . . . . 0.0 109.988 179.329 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 44.4 ttt180 -71.96 -24.37 61.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.038 179.022 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.48 ' O ' HD21 ' B' ' 113' ' ' LEU . . . -78.46 -54.8 5.77 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 121.229 0.538 . . . . 0.0 109.569 179.119 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.603 ' HB3' ' CD2' ' A' ' 44' ' ' PHE . 0.4 OUTLIER -63.11 -25.03 68.17 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.738 179.272 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -72.97 -46.46 52.18 Favored 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 178.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.424 HD21 ' CE1' ' A' ' 21' ' ' TYR . 2.2 mt -62.06 -35.5 78.83 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.562 -0.744 . . . . 0.0 109.258 178.43 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.419 ' CD2' ' CG1' ' B' ' 92' ' ' VAL . 52.7 mt -61.54 -44.43 97.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.572 179.516 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -63.08 -37.48 87.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -73.47 -37.51 65.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.057 179.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.597 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 14.8 m-30 -68.18 -45.81 72.43 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.902 179.566 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.417 ' CG ' ' CG ' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -55.1 -51.11 67.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.809 179.735 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 60.6 p -56.42 -42.79 78.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.873 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.2 ptmt -89.78 3.12 53.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.632 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.597 ' HB2' ' O ' ' A' ' 21' ' ' TYR . 0.2 OUTLIER -92.14 -67.3 0.86 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.981 0.42 . . . . 0.0 111.176 -179.799 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.442 ' HB3' ' HB2' ' A' ' 34' ' ' ARG . 2.5 p -59.41 -158.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.208 -179.308 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.429 ' OE1' ' NH1' ' A' ' 31' ' ' ARG . 1.7 mp0 60.04 27.83 17.3 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 120.967 0.413 . . . . 0.0 110.537 -179.785 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.535 ' CG2' ' H ' ' A' ' 29' ' ' GLU . 3.5 t -150.47 -63.15 0.2 Allowed 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 121.211 0.529 . . . . 0.0 111.222 -179.693 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.535 ' H ' ' CG2' ' A' ' 28' ' ' THR . 17.2 pt-20 -172.79 27.92 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.323 -179.508 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.402 ' HB3' ' HB3' ' A' ' 33' ' ' LEU . 2.0 m-20 -143.17 52.56 1.36 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.657 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.429 ' NH1' ' OE1' ' A' ' 27' ' ' GLN . 12.5 mmm180 -66.08 -52.52 48.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.181 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -55.79 -47.08 77.72 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.201 0.524 . . . . 0.0 109.693 178.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.428 ' CD2' ' HB3' ' B' ' 95' ' ' SER . 11.0 tp -55.64 -34.06 64.59 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.798 178.8 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.442 ' HB2' ' HB3' ' A' ' 26' ' ' SER . 7.2 ttp180 -60.62 -42.63 97.23 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.491 178.826 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.9 t -62.06 -33.79 75.05 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.306 179.049 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.49 ' O ' ' HG2' ' A' ' 39' ' ' ARG . 5.6 p -65.91 -48.68 70.65 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.944 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.589 ' O ' HG12 ' A' ' 41' ' ' ILE . 32.4 mt -60.51 -39.19 80.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.135 0.493 . . . . 0.0 109.744 179.134 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.58 -51.78 66.01 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.028 -0.987 . . . . 0.0 111.918 -179.65 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.509 ' HG3' ' CB ' ' B' ' 88' ' ' ALA . 4.5 ptp180 -55.21 -39.3 69.48 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.15 -179.61 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.435 ' O ' ' HB2' ' A' ' 44' ' ' PHE . 92.3 t -63.59 -38.01 81.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.863 178.386 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.589 HG12 ' O ' ' A' ' 37' ' ' ILE . 9.4 mm -57.6 -56.4 15.59 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.156 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.087 179.484 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.8 p -59.71 -47.2 86.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.848 0.356 . . . . 0.0 110.555 -179.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 14.7 mt -59.89 -34.89 57.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.971 179.347 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.603 ' CD2' ' HB3' ' A' ' 15' ' ' LEU . 1.4 m-85 -72.56 -56.66 5.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.775 179.665 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -81.88 2.83 28.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.023 -0.535 . . . . 0.0 112.129 -178.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.6 p -50.12 175.57 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.844 0.354 . . . . 0.0 111.118 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -88.18 -38.38 15.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.213 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.473 ' CD2' ' HB ' ' B' ' 132' ' ' ILE . 1.8 tp -79.72 -43.08 23.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.546 -179.619 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -50.58 -56.35 12.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.103 -179.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -58.54 -31.84 68.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.953 0.406 . . . . 0.0 110.035 179.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.06 -47.92 83.87 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.379 179.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.6 mt -60.14 -44.37 94.99 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.404 179.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.9 mt -55.03 -37.38 42.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.487 179.389 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -73.2 -38.31 66.15 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.085 178.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.44 HG23 ' CG ' ' A' ' 59' ' ' TYR . 70.0 mt -60.86 -44.35 97.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.49 179.381 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -52.27 -24.84 8.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.486 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -49.3 -28.22 4.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.687 0.279 . . . . 0.0 111.118 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.429 ' CG ' ' HB2' ' C' ' 65' ' ' ASP . 52.9 m-85 -153.62 24.17 0.52 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.316 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.44 ' CG ' HG23 ' A' ' 55' ' ' ILE . 49.6 m-85 -135.91 80.62 1.84 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.5 179.77 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -66.98 95.04 0.36 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -72.66 96.9 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-O 120.934 0.397 . . . . 0.0 110.737 179.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.1 m -82.68 104.43 12.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.613 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.419 HD11 ' CE2' ' C' ' 59' ' ' TYR . 0.3 OUTLIER -82.1 130.47 35.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.961 0.41 . . . . 0.0 110.649 179.681 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.5 ' N ' ' CD2' ' A' ' 64' ' ' LEU . 0.1 OUTLIER -109.79 -27.09 9.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.033 -179.526 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.418 ' HB2' ' CG ' ' C' ' 58' ' ' PHE . 15.3 t0 -70.44 -25.62 63.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.564 179.679 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.517 -0.309 0 CA-C-O 121.508 0.67 . . . . 0.0 110.764 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.48 0 N-CA-C 110.187 -1.165 . . . . 0.0 110.187 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . 0.573 ' HA ' ' CG ' ' B' ' 130' ' ' ASP . 9.6 tt -106.78 -22.71 12.63 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 114.692 -0.754 . . . . 0.0 110.249 179.14 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . 0.626 ' O ' ' HB3' ' B' ' 87' ' ' ARG . 0.6 OUTLIER -71.05 -40.22 71.79 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.369 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . 0.82 ' O ' ' HB1' ' B' ' 88' ' ' ALA . . . -82.35 -17.31 46.1 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.834 -179.032 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 85' ' ' ALA . . . . . 0.435 ' CB ' ' HB3' ' B' ' 126' ' ' LEU . . . -52.06 -23.03 4.64 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.227 -0.589 . . . . 0.0 109.728 179.152 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -127.06 -40.02 1.89 Allowed 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.793 178.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 87' ' ' ARG . . . . . 0.626 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 33.8 ttt85 -65.59 -40.49 92.74 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.733 179.471 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . 0.82 ' HB1' ' O ' ' B' ' 84' ' ' ALA . . . -68.53 -42.9 77.82 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.0 -179.578 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 89' ' ' VAL . . . . . 0.469 ' O ' ' HB2' ' B' ' 93' ' ' LEU . 61.0 t -69.66 -36.0 68.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.374 179.31 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 2.4 t -74.31 -26.75 60.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.673 179.53 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 91' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -67.4 -57.08 7.23 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-O 121.329 0.585 . . . . 0.0 109.742 179.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 92' ' ' VAL . . . . . 0.419 ' CG1' ' CD2' ' A' ' 18' ' ' LEU . 6.2 t -65.37 -27.65 42.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.276 -0.874 . . . . 0.0 109.96 179.069 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . 0.526 HD23 ' HA ' ' B' ' 114' ' ' HIS . 2.7 mt -66.26 -36.52 83.21 Favored 'General case' 0 C--O 1.231 0.09 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.555 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.52 -39.25 20.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.975 0.417 . . . . 0.0 111.039 -179.51 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 95' ' ' SER . . . . . 0.428 ' HB3' ' CD2' ' A' ' 33' ' ' LEU . 5.5 m -80.22 -17.89 51.04 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.133 -179.256 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . 0.447 ' O ' ' HB ' ' B' ' 99' ' ' ILE . 0.1 OUTLIER -38.53 -52.41 1.6 Allowed 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -179.077 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -71.21 -28.23 64.06 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.037 -179.365 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.6 -33.56 72.87 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 177.764 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 99' ' ' ILE . . . . . 0.451 ' O ' HG21 ' B' ' 103' ' ' THR . 58.1 mt -63.36 -49.58 82.28 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.862 0 CA-C-N 114.51 -1.223 . . . . 0.0 109.689 178.508 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . 0.504 ' HB2' ' CD1' ' B' ' 110' ' ' LEU . 1.8 t-160 -56.48 -32.88 65.42 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 178.116 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -57.39 -46.07 83.84 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 114.54 -1.209 . . . . 0.0 111.986 179.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 102' ' ' LEU . . . . . 0.407 ' CD1' HD23 ' A' ' 25' ' ' LEU . 0.4 OUTLIER -116.63 26.66 9.7 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.736 -177.48 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 103' ' ' THR . . . . . 0.451 HG21 ' O ' ' B' ' 99' ' ' ILE . 31.9 p -140.67 -31.93 0.6 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.663 0.268 . . . . 0.0 111.484 179.604 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 1.1 t70 68.45 27.25 6.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.963 0.411 . . . . 0.0 110.55 -179.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 105' ' ' SER . . . . . 0.423 ' HB3' ' CE1' ' A' ' 21' ' ' TYR . 10.9 m -53.8 -77.75 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.654 179.813 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 167.55 105.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.429 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -47.97 -35.17 10.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.869 0.366 . . . . 0.0 110.638 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.8 -43.15 89.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.631 178.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.94 -39.74 94.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.767 179.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 110' ' ' LEU . . . . . 0.504 ' CD1' ' HB2' ' B' ' 100' ' ' HIS . 50.8 mt -61.46 -35.01 76.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.816 179.048 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 111' ' ' ASP . . . . . 0.433 ' HA ' ' ND1' ' B' ' 114' ' ' HIS . 5.0 m-20 -64.01 -48.67 75.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.737 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -58.86 -37.79 77.3 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.865 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 113' ' ' LEU . . . . . 0.48 HD21 ' O ' ' A' ' 14' ' ' ALA . 0.5 OUTLIER -75.96 -36.74 59.18 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.033 -179.865 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 114' ' ' HIS . . . . . 0.534 ' C ' ' CD2' ' B' ' 114' ' ' HIS . 0.0 OUTLIER -59.05 -33.35 70.66 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 178.939 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 115' ' ' SER . . . . . 0.46 ' N ' ' CD2' ' B' ' 114' ' ' HIS . 39.2 t -75.81 -36.76 59.61 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 178.283 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 116' ' ' VAL . . . . . 0.405 ' O ' ' CD2' ' B' ' 122' ' ' LEU . 28.1 t -61.34 -23.33 30.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.726 178.297 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 117' ' ' PHE . . . . . 0.461 ' HB3' ' CG1' ' B' ' 89' ' ' VAL . 27.8 m-85 -100.49 -37.08 8.97 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.374 -179.642 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.49 -28.06 69.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.682 -179.095 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -41.16 114.72 0.52 Allowed 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.792 -179.325 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.32 -43.01 92.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.495 179.771 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 16.9 m-70 -60.99 -34.15 74.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.448 179.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . 0.405 ' CD2' ' O ' ' B' ' 116' ' ' VAL . 48.8 tp -56.03 -49.08 74.69 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.498 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 123' ' ' HIS . . . . . 0.51 ' HA ' ' CD1' ' B' ' 126' ' ' LEU . 97.1 m-70 -53.81 -26.03 22.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.981 179.04 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 124' ' ' THR . . . . . 0.449 ' O ' ' HG ' ' B' ' 128' ' ' LEU . 1.9 m -74.22 -40.21 62.59 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.294 178.755 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 4.9 mt -67.02 -31.82 72.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.845 178.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . 0.51 ' CD1' ' HA ' ' B' ' 123' ' ' HIS . 7.1 mt -73.29 -50.87 19.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.393 -179.582 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.87 -51.55 68.8 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.909 0.385 . . . . 0.0 110.942 179.759 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' B' ' 124' ' ' THR . 12.0 mt -60.66 -37.48 81.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.34 179.595 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 129' ' ' TYR . . . . . 0.455 ' HA ' ' HG ' ' A' ' 48' ' ' LEU . 0.2 OUTLIER -56.95 -44.25 82.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.359 179.567 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 130' ' ' ASP . . . . . 0.573 ' CG ' ' HA ' ' B' ' 82' ' ' LEU . 0.2 OUTLIER -76.07 -39.24 55.85 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.064 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 15.2 mttm -54.98 -53.84 50.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.496 -179.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 132' ' ' ILE . . . . . 0.473 ' HB ' ' CD2' ' A' ' 48' ' ' LEU . 2.2 mt -72.26 -38.21 61.21 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 CA-C-O 120.978 0.418 . . . . 0.0 110.67 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 133' ' ' ASN . . . . . . . . . . . . . 60.6 t-20 -60.53 -32.64 71.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.672 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 80.7 m -64.02 -29.67 70.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.914 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.59 -29.78 14.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.019 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.043 179.953 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 7' ' ' ARG . . . . . . . . . . . . . 12.0 ttm-85 . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 1.5 tptp -60.88 -38.17 84.7 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-O 121.149 0.5 . . . . 0.0 109.722 179.101 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 61.4 mm-40 -73.93 -29.19 61.9 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.066 179.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -78.13 -31.76 50.06 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.371 179.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 16.8 p -71.92 -42.73 66.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.384 179.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -68.95 -40.59 78.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.389 179.561 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 12.2 ttt180 -72.9 -24.36 60.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.183 179.031 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 14' ' ' ALA . . . . . 0.458 ' O ' HD23 ' D' ' 113' ' ' LEU . . . -78.72 -50.79 10.78 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.877 179.3 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 15' ' ' LEU . . . . . 0.516 ' CD2' ' HB3' ' C' ' 44' ' ' PHE . 0.5 OUTLIER -66.81 -27.24 67.41 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.763 179.623 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' C' C ' 16' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -73.61 -45.86 50.47 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 178.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . 0.436 HD21 ' CE1' ' C' ' 21' ' ' TYR . 1.6 mt -61.62 -42.16 98.49 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.669 178.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . 0.429 ' HB3' ' CG2' ' C' ' 37' ' ' ILE . 10.7 mt -58.99 -42.91 91.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.393 -0.822 . . . . 0.0 110.629 179.617 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . 0.406 ' O ' ' CG ' ' C' ' 22' ' ' ARG . 0.0 OUTLIER -58.05 -45.71 86.56 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.06 0.457 . . . . 0.0 110.508 179.637 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -69.81 -32.98 71.71 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.697 179.086 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 21' ' ' TYR . . . . . 0.602 ' O ' ' HB2' ' C' ' 25' ' ' LEU . 9.1 m-30 -65.93 -47.42 74.77 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.915 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 22' ' ' ARG . . . . . 0.406 ' CG ' ' O ' ' C' ' 19' ' ' GLU . 9.1 ptt85 -59.95 -43.58 94.93 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.866 0.365 . . . . 0.0 110.758 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 1.7 p -58.09 -39.66 79.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.679 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 24' ' ' LYS . . . . . 0.423 ' HG3' ' HB ' ' D' ' 103' ' ' THR . 5.9 ptmt -94.0 -11.42 30.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.828 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 25' ' ' LEU . . . . . 0.602 ' HB2' ' O ' ' C' ' 21' ' ' TYR . 0.7 OUTLIER -79.32 -68.78 0.63 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.873 0.368 . . . . 0.0 111.152 -179.632 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' C' C ' 26' ' ' SER . . . . . 0.465 ' HB2' ' HB2' ' C' ' 34' ' ' ARG . 33.6 t -62.39 -144.46 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.803 -179.396 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 48.35 27.24 1.3 Allowed 'General case' 0 N--CA 1.452 -0.346 0 CA-C-O 120.992 0.425 . . . . 0.0 110.35 -179.429 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 28' ' ' THR . . . . . 0.452 ' CG2' ' N ' ' C' ' 29' ' ' GLU . 12.9 t -152.18 -53.4 0.12 Allowed 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.856 -179.619 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 29' ' ' GLU . . . . . 0.452 ' N ' ' CG2' ' C' ' 28' ' ' THR . 9.7 pt-20 -177.47 26.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.779 -179.807 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 30' ' ' ASP . . . . . 0.44 ' CB ' HD21 ' C' ' 25' ' ' LEU . 0.9 OUTLIER -141.71 55.07 1.5 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.992 0.425 . . . . 0.0 110.914 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 2.0 mmm180 -65.02 -50.81 64.8 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.096 179.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.88 -50.56 73.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.083 179.156 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 33' ' ' LEU . . . . . 0.428 HD11 ' CB ' ' D' ' 95' ' ' SER . 4.9 tp -52.72 -33.32 47.43 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.092 179.058 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 34' ' ' ARG . . . . . 0.465 ' HB2' ' HB2' ' C' ' 26' ' ' SER . 6.8 ttp180 -60.62 -49.76 76.24 Favored 'General case' 0 CA--C 1.517 -0.311 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 178.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 4.9 m -55.7 -32.68 63.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.173 179.026 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 36' ' ' SER . . . . . 0.484 ' O ' ' CG ' ' C' ' 39' ' ' ARG . 1.4 m -66.69 -48.29 69.77 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.528 179.458 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 37' ' ' ILE . . . . . 0.6 ' O ' HG12 ' C' ' 41' ' ' ILE . 54.0 mt -58.21 -40.04 75.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 179.208 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -58.81 -52.61 64.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.611 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 39' ' ' ARG . . . . . 0.484 ' CG ' ' O ' ' C' ' 36' ' ' SER . 1.9 ptp180 -55.68 -35.75 66.37 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.053 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . 0.437 ' O ' ' HB2' ' C' ' 44' ' ' PHE . 89.8 t -68.82 -33.0 57.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.883 178.655 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 41' ' ' ILE . . . . . 0.6 HG12 ' O ' ' C' ' 37' ' ' ILE . 9.7 mm -69.67 -58.26 6.05 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.136 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 179.449 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 18.9 p -56.57 -47.56 79.27 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-O 121.07 0.462 . . . . 0.0 110.377 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 43' ' ' ILE . . . . . . . . . . . . . 16.8 mt -60.05 -32.23 49.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.948 179.086 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 44' ' ' PHE . . . . . 0.516 ' HB3' ' CD2' ' C' ' 15' ' ' LEU . 0.3 OUTLIER -72.59 -57.29 4.26 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.77 179.704 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' C' C ' 45' ' ' GLN . . . . . 0.443 ' HG2' ' O ' ' C' ' 41' ' ' ILE . 4.8 pt20 -74.4 -3.28 29.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 112.116 -178.725 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 46' ' ' SER . . . . . 0.409 ' OG ' ' CE1' ' D' ' 129' ' ' TYR . 6.3 t -54.71 126.47 24.12 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.799 0.333 . . . . 0.0 110.678 179.809 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -53.87 -24.73 16.9 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.601 -179.553 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . 0.54 ' CD1' ' HA ' ' D' ' 129' ' ' TYR . 0.3 OUTLIER -76.14 -49.21 17.96 Favored 'General case' 0 CA--C 1.519 -0.225 0 N-CA-C 109.252 -0.648 . . . . 0.0 109.252 179.173 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' C' C ' 49' ' ' PHE . . . . . 0.476 ' CE2' ' CD1' ' C' ' 53' ' ' ILE . 85.6 t80 -52.71 -41.78 64.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.37 179.45 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 50' ' ' GLN . . . . . 0.469 ' CA ' ' OE1' ' C' ' 50' ' ' GLN . 0.0 OUTLIER -59.68 -44.91 93.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.462 179.352 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.18 -48.03 83.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.945 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 52' ' ' LEU . . . . . 0.406 HD13 ' HB2' ' D' ' 128' ' ' LEU . 2.1 mt -59.12 -45.88 89.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.903 0.383 . . . . 0.0 110.53 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 53' ' ' ILE . . . . . 0.489 HD11 HG21 ' C' ' 53' ' ' ILE . 50.2 mt -53.61 -42.39 50.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.517 179.624 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -63.27 -39.13 93.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.385 179.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 55' ' ' ILE . . . . . 0.462 HD12 HG22 ' C' ' 55' ' ' ILE . 67.8 mt -60.37 -34.17 56.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.681 179.761 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.19 -21.76 5.63 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.764 -179.81 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 57' ' ' GLU . . . . . 0.405 ' O ' ' CD1' ' C' ' 58' ' ' PHE . 41.5 mt-10 -45.08 -43.03 9.22 Favored 'General case' 0 N--CA 1.462 0.159 0 N-CA-C 111.692 0.256 . . . . 0.0 111.692 -179.666 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 58' ' ' PHE . . . . . 0.418 ' CG ' ' HB2' ' A' ' 65' ' ' ASP . 83.1 m-85 -155.69 38.73 0.38 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.822 0.304 . . . . 0.0 111.822 -179.59 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 59' ' ' TYR . . . . . 0.445 ' CE2' HD22 ' B' ' 128' ' ' LEU . 59.7 m-85 -136.07 79.7 1.78 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.874 179.609 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.16 87.9 0.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.948 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 61' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -73.26 98.77 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 120.924 0.393 . . . . 0.0 111.126 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 62' ' ' THR . . . . . . . . . . . . . 3.7 m -80.97 122.36 27.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.527 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 63' ' ' LEU . . . . . 0.426 HD13 ' CE2' ' A' ' 59' ' ' TYR . 0.1 OUTLIER -93.01 130.03 38.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.895 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' C' C ' 64' ' ' LEU . . . . . 0.473 ' CD2' ' N ' ' C' ' 64' ' ' LEU . 0.1 OUTLIER -115.81 -27.05 7.15 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.086 -179.604 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' C' C ' 65' ' ' ASP . . . . . 0.429 ' HB2' ' CG ' ' A' ' 58' ' ' PHE . 31.7 t70 -59.04 -20.59 54.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.836 0.35 . . . . 0.0 110.939 179.631 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 66' ' ' ASN . . . . . . . . . . . . . 17.8 p-10 . . . . . 0 C--N 1.332 -0.187 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.147 -179.914 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.414 0 N-CA-C 109.913 -1.275 . . . . 0.0 109.913 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 82' ' ' LEU . . . . . . . . . . . . . 9.3 tt -92.36 -27.24 17.65 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 114.444 -0.878 . . . . 0.0 109.878 178.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 83' ' ' LEU . . . . . 0.606 ' O ' ' HB3' ' D' ' 87' ' ' ARG . 0.7 OUTLIER -66.51 -40.18 89.07 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.604 179.911 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' D' D ' 84' ' ' ALA . . . . . 0.815 ' O ' ' HB3' ' D' ' 88' ' ' ALA . . . -80.27 -17.84 51.05 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.617 -178.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 85' ' ' ALA . . . . . 0.523 ' CB ' ' HB3' ' D' ' 126' ' ' LEU . . . -51.68 -25.68 7.73 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 179.085 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 86' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -124.84 -37.81 2.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.023 178.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 87' ' ' ARG . . . . . 0.606 ' HB3' ' O ' ' D' ' 83' ' ' LEU . 33.0 ttt180 -68.37 -37.73 80.72 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.969 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 88' ' ' ALA . . . . . 0.815 ' HB3' ' O ' ' D' ' 84' ' ' ALA . . . -72.15 -39.96 68.38 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.245 -179.296 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 89' ' ' VAL . . . . . 0.513 ' CG1' ' HB3' ' D' ' 117' ' ' PHE . 21.5 t -76.97 -35.2 23.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.871 179.586 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 8.3 t -74.96 -43.26 55.1 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.169 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 91' ' ' GLN . . . . . 0.412 ' CG ' ' N ' ' D' ' 92' ' ' VAL . 6.9 pt20 -64.56 -49.97 69.12 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.056 0.455 . . . . 0.0 109.782 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 92' ' ' VAL . . . . . 0.412 ' N ' ' CG ' ' D' ' 91' ' ' GLN . 62.4 t -64.28 -27.67 43.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 177.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 93' ' ' LEU . . . . . 0.589 ' CD2' ' HA ' ' D' ' 114' ' ' HIS . 1.0 OUTLIER -58.22 -47.45 83.45 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.129 179.141 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.01 -24.41 52.15 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.196 -179.655 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 95' ' ' SER . . . . . 0.443 ' O ' HG13 ' D' ' 99' ' ' ILE . 4.8 m -79.31 -29.69 42.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.758 -179.483 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 96' ' ' LEU . . . . . 0.522 ' O ' ' HB ' ' D' ' 99' ' ' ILE . 0.2 OUTLIER -37.64 -52.49 1.23 Allowed 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 112.528 0.566 . . . . 0.0 112.528 -179.294 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' D' D ' 97' ' ' GLU . . . . . 0.428 ' HA ' HD13 ' D' ' 110' ' ' LEU . 45.5 mt-10 -66.09 -30.52 71.05 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.959 0.409 . . . . 0.0 111.187 -179.173 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 98' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' D' ' 95' ' ' SER . 0.0 OUTLIER -70.02 -34.95 73.95 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 177.62 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' D' D ' 99' ' ' ILE . . . . . 0.522 ' HB ' ' O ' ' D' ' 96' ' ' LEU . 6.6 mt -59.32 -49.35 83.81 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.644 0 CA-C-N 114.386 -1.279 . . . . 0.0 110.031 178.433 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 100' ' ' HIS . . . . . 0.495 ' HB2' ' CD1' ' D' ' 110' ' ' LEU . 2.0 t-160 -58.03 -35.08 70.78 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 178.464 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 101' ' ' ALA . . . . . . . . . . . . . . . -55.36 -43.25 74.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.676 -1.147 . . . . 0.0 111.874 179.408 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 102' ' ' LEU . . . . . 0.417 ' CD1' HD23 ' C' ' 25' ' ' LEU . 0.4 OUTLIER -119.66 31.67 6.45 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.622 -0.717 . . . . 0.0 112.804 -177.452 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' D' D ' 103' ' ' THR . . . . . 0.423 ' HB ' ' HG3' ' C' ' 24' ' ' LYS . 35.4 p -146.89 -34.29 0.27 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.709 0.29 . . . . 0.0 111.572 179.713 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 1.7 t0 70.75 28.01 3.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.892 0.377 . . . . 0.0 110.326 -179.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 105' ' ' SER . . . . . 0.414 ' OG ' ' CE1' ' C' ' 21' ' ' TYR . 3.7 m -54.32 -77.61 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.773 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 106' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 167.55 105.36 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.487 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -47.31 -32.32 4.62 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.91 0.386 . . . . 0.0 110.596 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -66.93 -44.42 80.72 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 178.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 109' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -66.23 -35.2 79.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.706 178.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 110' ' ' LEU . . . . . 0.495 ' CD1' ' HB2' ' D' ' 100' ' ' HIS . 17.1 mt -63.08 -44.53 95.52 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.998 179.268 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 111' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -60.34 -42.1 94.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.608 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 112' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -58.83 -43.25 90.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.344 179.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 113' ' ' LEU . . . . . 0.458 HD23 ' O ' ' C' ' 14' ' ' ALA . 0.5 OUTLIER -72.82 -32.71 65.7 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.707 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' D' D ' 114' ' ' HIS . . . . . 0.589 ' HA ' ' CD2' ' D' ' 93' ' ' LEU . 35.1 m170 -60.24 -37.9 81.79 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 178.347 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 115' ' ' SER . . . . . . . . . . . . . 70.1 m -73.37 -37.71 65.95 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 178.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 116' ' ' VAL . . . . . 0.4 HG13 ' CE1' ' D' ' 117' ' ' PHE . 55.1 t -60.05 -23.07 26.04 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 CA-C-N 115.165 -0.925 . . . . 0.0 109.711 178.293 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 117' ' ' PHE . . . . . 0.513 ' HB3' ' CG1' ' D' ' 89' ' ' VAL . 6.7 m-30 -107.37 -25.18 11.56 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.69 -179.503 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 118' ' ' GLN . . . . . 0.422 ' HB2' ' O ' ' D' ' 114' ' ' HIS . 0.0 OUTLIER -67.43 -37.81 83.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.698 0.285 . . . . 0.0 111.588 -179.029 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -42.71 111.71 0.28 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.749 -179.262 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 120' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -56.51 -40.19 74.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.422 179.702 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 121' ' ' HIS . . . . . . . . . . . . . 20.4 m170 -56.16 -34.01 65.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.195 179.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 122' ' ' LEU . . . . . 0.405 ' CD2' ' HA ' ' D' ' 117' ' ' PHE . 36.4 tp -56.03 -48.99 74.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.297 179.667 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 123' ' ' HIS . . . . . 0.52 ' HA ' ' CD1' ' D' ' 126' ' ' LEU . 40.5 m170 -54.64 -24.42 21.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.092 179.042 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 124' ' ' THR . . . . . . . . . . . . . 1.7 m -75.52 -39.04 58.92 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 178.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 125' ' ' LEU . . . . . 0.4 ' O ' HD13 ' C' ' 52' ' ' LEU . 4.7 mt -69.45 -33.63 73.2 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.647 178.668 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 126' ' ' LEU . . . . . 0.523 ' HB3' ' CB ' ' D' ' 85' ' ' ALA . 3.9 mt -73.6 -49.85 24.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.07 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 127' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -60.79 -43.0 98.67 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.709 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 128' ' ' LEU . . . . . 0.432 HD22 ' CD2' ' A' ' 59' ' ' TYR . 19.1 mt -74.24 -29.7 61.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.204 179.309 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 129' ' ' TYR . . . . . 0.54 ' HA ' ' CD1' ' C' ' 48' ' ' LEU . 0.3 OUTLIER -56.39 -52.1 65.87 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.861 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' D' D ' 130' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.47 -35.48 58.41 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.787 0.327 . . . . 0.0 111.234 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 131' ' ' LYS . . . . . . . . . . . . . 1.2 mtpp -55.04 -51.0 67.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.099 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 132' ' ' ILE . . . . . . . . . . . . . 5.0 mt -74.2 -38.38 48.02 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 CA-C-O 120.995 0.426 . . . . 0.0 110.708 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 133' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -58.98 -26.02 64.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.889 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 134' ' ' THR . . . . . . . . . . . . . 97.7 m -90.23 -55.04 3.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.079 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 135' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -63.03 -20.06 64.96 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.269 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 136' ' ' SER . . . . . . . . . . . . . 59.3 p . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 120.795 0.331 . . . . 0.0 111.096 179.954 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.455 -0.201 0 N-CA-C 110.081 -0.341 . . . . 0.0 110.081 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.48 -38.43 89.83 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 121.098 0.475 . . . . 0.0 109.783 179.169 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 58.0 mm-40 -74.77 -29.05 61.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.094 179.057 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -80.43 -30.34 37.65 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.708 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.7 p -75.47 -36.09 60.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.264 179.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -71.99 -44.9 62.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.096 179.338 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.5 ttt180 -70.13 -24.65 63.22 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.023 178.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.429 ' O ' HD23 ' B' ' 113' ' ' LEU . . . -78.41 -53.99 6.66 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.857 179.073 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.473 ' CD2' ' HB3' ' A' ' 44' ' ' PHE . 0.4 OUTLIER -66.09 -25.53 67.06 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.696 179.54 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -73.12 -44.38 60.32 Favored 'General case' 0 CA--C 1.518 -0.261 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 178.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.42 HD21 ' CE1' ' A' ' 21' ' ' TYR . 5.4 mt -64.36 -29.01 70.09 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.558 178.423 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.403 ' CD2' ' CG1' ' B' ' 92' ' ' VAL . 45.0 mt -66.2 -50.3 64.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.909 179.767 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.471 ' HG3' ' N ' ' A' ' 20' ' ' GLU . 0.3 OUTLIER -61.26 -36.52 80.25 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.707 -179.803 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.471 ' N ' ' HG3' ' A' ' 19' ' ' GLU . 74.2 mm-40 -74.86 -36.1 62.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.872 179.25 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.576 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 9.8 m-30 -66.16 -47.14 75.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.365 179.473 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.442 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 2.6 ptm180 -58.77 -43.52 90.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.799 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.421 ' N ' ' HG3' ' A' ' 22' ' ' ARG . 1.5 m -61.74 -35.11 77.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.466 179.604 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.461 ' HG3' ' HB ' ' B' ' 103' ' ' THR . 8.5 ptmt -99.16 5.29 46.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.464 179.718 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.576 ' HB2' ' O ' ' A' ' 21' ' ' TYR . 0.2 OUTLIER -98.53 -65.39 0.96 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.008 0.433 . . . . 0.0 110.676 -179.778 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.473 ' OG ' ' CG ' ' A' ' 34' ' ' ARG . 0.7 OUTLIER -60.6 -145.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.098 -179.479 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 47.3 27.4 0.87 Allowed 'General case' 0 N--CA 1.452 -0.367 0 CA-C-O 120.836 0.35 . . . . 0.0 110.593 -179.608 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.458 ' CG2' ' N ' ' A' ' 29' ' ' GLU . 14.7 t -150.85 -55.47 0.15 Allowed 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.42 -179.686 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.458 ' N ' ' CG2' ' A' ' 28' ' ' THR . 14.1 pt-20 -177.31 27.78 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.732 -179.352 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.414 ' CB ' HD21 ' A' ' 25' ' ' LEU . 0.6 OUTLIER -143.08 48.07 1.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.03 0.443 . . . . 0.0 111.266 -179.742 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.8 -51.0 71.63 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.249 0.547 . . . . 0.0 110.049 179.433 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -56.25 -46.04 79.78 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.896 179.075 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.482 HD12 ' CB ' ' B' ' 95' ' ' SER . 6.2 tp -53.87 -33.79 57.46 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.871 179.081 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.473 ' CG ' ' OG ' ' A' ' 26' ' ' SER . 6.6 ttp180 -61.63 -46.83 88.14 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 178.604 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.547 ' HA ' ' CG ' ' A' ' 38' ' ' GLU . 0.3 OUTLIER -57.39 -30.46 64.92 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.965 179.669 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.617 ' HB3' ' NE2' ' B' ' 91' ' ' GLN . 0.1 OUTLIER -75.89 -46.6 29.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.114 0.483 . . . . 0.0 110.411 179.67 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.586 ' O ' HG12 ' A' ' 41' ' ' ILE . 56.1 mt -63.47 -40.55 89.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.908 179.501 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.547 ' CG ' ' HA ' ' A' ' 35' ' ' SER . 0.0 OUTLIER -69.8 -38.43 76.62 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.089 -0.505 . . . . 0.0 112.338 -178.954 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.53 ' HG2' ' O ' ' A' ' 36' ' ' SER . 6.1 ptp180 -62.1 -38.92 90.69 Favored 'General case' 0 CA--C 1.519 -0.241 0 C-N-CA 119.955 -0.698 . . . . 0.0 109.499 179.782 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 94.9 t -60.94 -44.31 97.74 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 177.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.586 HG12 ' O ' ' A' ' 37' ' ' ILE . 11.3 mm -50.79 -57.52 2.63 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.577 179.527 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.4 t -56.28 -46.12 79.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.944 0.402 . . . . 0.0 110.795 -179.063 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.454 ' CG2' ' CE2' ' B' ' 129' ' ' TYR . 9.2 mt -59.83 -34.59 56.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.864 179.055 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.473 ' HB3' ' CD2' ' A' ' 15' ' ' LEU . 2.5 m-85 -72.53 -57.13 4.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.503 179.477 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.425 ' HG3' ' O ' ' A' ' 41' ' ' ILE . 32.2 mt-30 -62.7 -26.44 68.67 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.985 -178.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.496 ' CB ' ' CE1' ' B' ' 129' ' ' TYR . 0.2 OUTLIER -37.62 127.41 1.14 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.981 0.419 . . . . 0.0 111.774 -179.331 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -54.4 -24.86 21.53 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.504 -179.709 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.598 ' CD1' ' HA ' ' B' ' 129' ' ' TYR . 0.4 OUTLIER -79.15 -47.38 16.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.828 0.347 . . . . 0.0 110.243 179.766 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.423 ' CE2' HD13 ' A' ' 53' ' ' ILE . 88.1 t80 -50.44 -51.49 46.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.029 -179.399 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 49.6 mm-40 -59.03 -34.22 71.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.026 0.441 . . . . 0.0 110.398 179.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.43 -47.28 86.09 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.533 179.55 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.41 ' CD2' ' HB2' ' B' ' 128' ' ' LEU . 0.3 OUTLIER -60.35 -44.6 95.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.242 179.489 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.423 HD13 ' CE2' ' A' ' 49' ' ' PHE . 10.8 mt -54.7 -37.37 39.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.46 179.432 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -67.52 -39.27 85.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.259 179.34 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.411 HG22 ' CD2' ' D' ' 128' ' ' LEU . 66.6 mt -62.82 -35.08 69.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.726 179.602 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -54.66 -21.06 9.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.765 -179.721 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.429 ' O ' ' CD1' ' A' ' 58' ' ' PHE . 37.2 mt-10 -46.97 -36.83 8.17 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 120.572 0.225 . . . . 0.0 111.265 -179.784 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.429 ' CD1' ' O ' ' A' ' 57' ' ' GLU . 18.9 m-85 -156.75 35.14 0.3 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.614 -179.786 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.419 ' CE2' ' CD1' ' C' ' 63' ' ' LEU . 26.7 m-85 -139.86 94.17 2.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.826 179.615 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -84.91 99.01 10.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.784 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.412 HG22 HG23 ' B' ' 124' ' ' THR . 0.0 OUTLIER -77.55 98.72 2.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.132 179.94 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.409 ' HB ' ' HB2' ' C' ' 60' ' ' GLU . 28.8 m -75.28 128.63 35.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.368 179.67 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.447 ' CD1' ' CE2' ' C' ' 59' ' ' TYR . 0.9 OUTLIER -97.21 120.53 37.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.974 -179.867 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.448 ' CD2' ' N ' ' A' ' 64' ' ' LEU . 0.1 OUTLIER -111.37 -17.44 13.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.857 179.691 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.487 ' O ' ' ND2' ' A' ' 66' ' ' ASN . 6.9 t0 -166.79 -22.05 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.87 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.487 ' ND2' ' O ' ' A' ' 65' ' ' ASP . 6.2 p30 . . . . . 0 N--CA 1.463 0.218 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.731 0 N-CA-C 111.409 -0.676 . . . . 0.0 111.409 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . 0.607 ' CD2' ' N ' ' B' ' 82' ' ' LEU . 0.3 OUTLIER -87.78 -33.34 18.68 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.099 0.476 . . . . 0.0 110.468 179.658 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . 0.756 ' O ' ' HB3' ' B' ' 87' ' ' ARG . 0.0 OUTLIER -63.51 -55.13 26.46 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.14 -179.316 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . 0.569 ' H ' ' CD2' ' B' ' 83' ' ' LEU . . . -71.19 -25.0 62.34 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.391 -179.309 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 85' ' ' ALA . . . . . 0.485 ' CB ' ' HB3' ' B' ' 126' ' ' LEU . . . -52.66 -28.04 19.89 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-O 121.113 0.483 . . . . 0.0 110.036 179.624 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -123.03 -44.09 2.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.902 178.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 87' ' ' ARG . . . . . 0.756 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 16.0 ttt180 -57.64 -50.42 73.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.935 178.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . 0.514 ' HB1' ' CB ' ' B' ' 84' ' ' ALA . . . -58.04 -48.4 80.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.109 -0.951 . . . . 0.0 111.8 -179.394 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 89' ' ' VAL . . . . . 0.47 ' CG1' ' HB3' ' B' ' 117' ' ' PHE . 24.8 t -62.19 -30.21 48.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.223 -179.725 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 73.7 m -75.24 -30.46 60.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.287 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 91' ' ' GLN . . . . . 0.617 ' NE2' ' HB3' ' A' ' 36' ' ' SER . 0.8 OUTLIER -68.65 -54.0 19.02 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 179.519 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 92' ' ' VAL . . . . . 0.414 HG22 ' HA ' ' A' ' 37' ' ' ILE . 3.6 t -64.28 -27.94 43.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.766 178.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . 0.666 ' CD2' ' HA ' ' B' ' 114' ' ' HIS . 1.5 mt -63.63 -42.54 98.16 Favored 'General case' 0 N--CA 1.457 -0.084 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.48 179.688 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.37 -27.96 31.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.387 -179.409 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 95' ' ' SER . . . . . 0.482 ' CB ' HD12 ' A' ' 33' ' ' LEU . 4.5 p -80.05 -28.54 39.24 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -179.345 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . 0.506 ' O ' ' HB ' ' B' ' 99' ' ' ILE . 0.2 OUTLIER -36.04 -51.12 0.72 Allowed 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 112.455 0.539 . . . . 0.0 112.455 -179.113 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -69.0 -31.65 70.64 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.034 -179.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' B' ' 95' ' ' SER . 0.2 OUTLIER -68.73 -34.27 75.33 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.045 -1.095 . . . . 0.0 108.045 177.706 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 99' ' ' ILE . . . . . 0.506 ' HB ' ' O ' ' B' ' 96' ' ' LEU . 12.8 mt -61.99 -49.5 83.91 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.883 0 CA-C-N 114.352 -1.295 . . . . 0.0 109.984 178.493 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . 0.503 ' HB2' ' CD1' ' B' ' 110' ' ' LEU . 1.6 t-160 -56.37 -34.16 66.4 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 178.187 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -56.79 -45.03 82.42 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.416 -1.266 . . . . 0.0 111.786 179.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 102' ' ' LEU . . . . . 0.424 ' CD1' HD23 ' A' ' 25' ' ' LEU . 0.4 OUTLIER -118.48 27.08 9.15 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.768 -177.329 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 103' ' ' THR . . . . . 0.461 ' HB ' ' HG3' ' A' ' 24' ' ' LYS . 31.8 p -141.57 -33.83 0.5 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.702 0.287 . . . . 0.0 111.365 179.521 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 68.42 28.42 6.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.958 0.408 . . . . 0.0 110.448 -179.608 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 105' ' ' SER . . . . . 0.403 ' OG ' ' CE1' ' A' ' 21' ' ' TYR . 6.0 m -53.74 -76.07 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.754 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 1.1 m 168.63 105.88 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.493 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -47.72 -34.9 8.89 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.911 0.386 . . . . 0.0 110.657 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 5.3 mmtt -65.91 -46.22 79.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.205 0.526 . . . . 0.0 109.711 178.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -62.87 -36.99 85.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.836 178.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 110' ' ' LEU . . . . . 0.503 ' CD1' ' HB2' ' B' ' 100' ' ' HIS . 20.3 mt -60.93 -50.64 72.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.922 179.107 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.94 -43.07 66.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.873 179.732 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -62.03 -38.42 88.64 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.801 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 113' ' ' LEU . . . . . 0.429 HD23 ' O ' ' A' ' 14' ' ' ALA . 0.4 OUTLIER -75.51 -34.46 60.82 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.156 -179.768 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 114' ' ' HIS . . . . . 0.666 ' HA ' ' CD2' ' B' ' 93' ' ' LEU . 98.1 m-70 -60.91 -37.11 81.11 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 178.591 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.81 -37.6 64.86 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 178.508 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 116' ' ' VAL . . . . . 0.411 HG13 ' CB ' ' A' ' 14' ' ' ALA . 47.5 t -59.05 -23.77 25.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.234 -0.894 . . . . 0.0 109.96 178.47 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 117' ' ' PHE . . . . . 0.47 ' HB3' ' CG1' ' B' ' 89' ' ' VAL . 22.2 m-85 -105.06 -29.88 10.12 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.365 -179.782 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 118' ' ' GLN . . . . . 0.43 ' NE2' ' O ' ' B' ' 114' ' ' HIS . 0.0 OUTLIER -63.43 -29.47 70.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.236 -179.595 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -46.34 131.56 10.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.45 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -72.77 -46.49 53.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.731 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -55.95 -34.71 65.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.694 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . 0.414 ' HA ' ' CD1' ' B' ' 125' ' ' LEU . 44.3 tp -56.35 -49.16 75.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.307 179.703 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 123' ' ' HIS . . . . . 0.654 ' HA ' ' CD1' ' B' ' 126' ' ' LEU . 46.3 m170 -53.07 -26.05 14.84 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.201 179.106 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 124' ' ' THR . . . . . 0.414 HG23 ' CD1' ' B' ' 128' ' ' LEU . 5.7 m -77.54 -34.67 53.8 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.042 179.298 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . 0.414 ' CD1' ' HA ' ' B' ' 122' ' ' LEU . 13.1 mt -65.98 -38.95 89.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.779 179.694 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . 0.654 ' CD1' ' HA ' ' B' ' 123' ' ' HIS . 0.3 OUTLIER -73.54 -46.46 47.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.431 -179.64 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -56.6 -51.48 68.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.995 0.426 . . . . 0.0 110.899 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . 0.424 HD23 ' CD2' ' C' ' 59' ' ' TYR . 9.9 mt -71.14 -29.04 64.73 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.331 179.495 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 129' ' ' TYR . . . . . 0.598 ' HA ' ' CD1' ' A' ' 48' ' ' LEU . 0.2 OUTLIER -55.19 -53.84 50.93 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.164 -179.239 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 130' ' ' ASP . . . . . 0.447 ' HB2' HD22 ' B' ' 82' ' ' LEU . 2.4 m-20 -77.65 -31.04 52.45 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.156 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.94 -52.02 64.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.877 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 3.0 mt -76.15 -39.13 35.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.636 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 133' ' ' ASN . . . . . . . . . . . . . 33.7 t30 -64.19 -28.6 69.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.92 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 134' ' ' THR . . . . . 0.415 ' O ' ' CG2' ' B' ' 134' ' ' THR . 61.6 m -95.51 23.01 6.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.289 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 47.03 26.68 0.64 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.592 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 -179.479 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 7' ' ' ARG . . . . . . . . . . . . . 12.2 ttm105 . . . . . 0 CA--C 1.521 -0.173 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.93 -42.6 94.53 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.005 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 51.3 mm-40 -73.84 -30.83 62.9 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.944 179.018 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.47 -29.72 52.81 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.367 179.442 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 1.9 p -71.4 -43.62 66.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.391 179.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.78 -42.65 85.67 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-O 120.919 0.39 . . . . 0.0 110.272 179.541 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 -67.81 -26.19 65.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.155 179.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 14' ' ' ALA . . . . . 0.496 ' O ' HD21 ' D' ' 113' ' ' LEU . . . -78.64 -54.8 5.74 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.679 178.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 15' ' ' LEU . . . . . 0.567 ' HB3' ' CD2' ' C' ' 44' ' ' PHE . 0.3 OUTLIER -64.37 -27.14 68.81 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.612 179.227 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' C' C ' 16' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -70.94 -45.41 64.23 Favored 'General case' 0 C--O 1.234 0.268 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 178.196 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . 0.448 HD22 ' CE1' ' C' ' 21' ' ' TYR . 4.0 mt -63.73 -35.37 80.36 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.135 -0.938 . . . . 0.0 109.177 178.171 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . 0.546 ' HB3' HG23 ' C' ' 37' ' ' ILE . 13.2 mt -62.19 -42.25 99.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 114.966 -1.015 . . . . 0.0 110.752 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -62.4 -48.17 80.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.11 0.481 . . . . 0.0 110.942 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 20' ' ' GLU . . . . . 0.453 ' O ' ' HG3' ' C' ' 24' ' ' LYS . 6.1 mt-10 -70.86 -31.62 68.37 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.145 179.744 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 21' ' ' TYR . . . . . 0.506 ' O ' ' HB2' ' C' ' 25' ' ' LEU . 8.4 m-30 -69.93 -46.16 65.95 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.818 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 22' ' ' ARG . . . . . 0.471 ' HB3' ' HB ' ' C' ' 37' ' ' ILE . 2.8 ptm180 -59.87 -39.81 86.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.87 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 23' ' ' SER . . . . . 0.437 ' N ' ' HG3' ' C' ' 22' ' ' ARG . 74.2 p -61.9 -46.23 90.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 24' ' ' LYS . . . . . 0.453 ' HG3' ' O ' ' C' ' 20' ' ' GLU . 45.7 mtpt -74.43 -31.46 62.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.312 0.577 . . . . 0.0 110.41 179.473 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 25' ' ' LEU . . . . . 0.575 HD12 ' HB3' ' C' ' 33' ' ' LEU . 0.3 OUTLIER -56.78 -73.66 0.06 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.168 -0.924 . . . . 0.0 111.726 -179.445 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' C' C ' 26' ' ' SER . . . . . 0.502 ' HB3' ' HB3' ' C' ' 34' ' ' ARG . 24.4 p -58.92 -157.83 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.295 -179.138 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 27' ' ' GLN . . . . . 0.419 ' OE1' ' NH1' ' C' ' 31' ' ' ARG . 2.8 mp0 59.01 24.21 12.42 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.504 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 28' ' ' THR . . . . . 0.525 ' CG2' ' H ' ' C' ' 29' ' ' GLU . 6.8 t -148.74 -60.24 0.23 Allowed 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 121.088 0.471 . . . . 0.0 111.702 -179.017 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 29' ' ' GLU . . . . . 0.525 ' H ' ' CG2' ' C' ' 28' ' ' THR . 12.7 pt-20 -175.33 27.99 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.394 -179.102 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 30' ' ' ASP . . . . . 0.44 ' HB3' ' HB3' ' C' ' 33' ' ' LEU . 1.6 m-20 -152.29 56.84 0.83 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.159 0.504 . . . . 0.0 110.726 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . 0.485 ' O ' ' HG2' ' C' ' 34' ' ' ARG . 10.0 mmm180 -68.86 -43.17 75.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.405 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 21.6 tp60 -63.74 -34.14 77.22 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.178 0.513 . . . . 0.0 109.804 179.015 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 33' ' ' LEU . . . . . 0.575 ' HB3' HD12 ' C' ' 25' ' ' LEU . 0.1 OUTLIER -62.53 -48.96 77.25 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.639 179.625 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' C' C ' 34' ' ' ARG . . . . . 0.502 ' HB3' ' HB3' ' C' ' 26' ' ' SER . 0.7 OUTLIER -60.85 -31.87 71.29 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 179.094 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.15 -39.81 93.85 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.695 178.566 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 36' ' ' SER . . . . . 0.484 ' O ' ' CG ' ' C' ' 39' ' ' ARG . 2.1 m -62.4 -43.6 98.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.539 0.685 . . . . 0.0 109.835 178.814 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 37' ' ' ILE . . . . . 0.578 ' O ' HG12 ' C' ' 41' ' ' ILE . 65.7 mt -60.97 -37.2 76.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.744 179.119 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -60.92 -51.77 67.87 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.525 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 39' ' ' ARG . . . . . 0.51 ' HG3' ' HB3' ' D' ' 88' ' ' ALA . 2.6 ptp180 -55.1 -37.8 67.3 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . 0.403 ' CG1' ' CD1' ' C' ' 18' ' ' LEU . 89.5 t -64.83 -33.64 64.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.757 178.395 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 41' ' ' ILE . . . . . 0.578 HG12 ' O ' ' C' ' 37' ' ' ILE . 25.6 mm -65.22 -59.62 3.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 179.396 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 23.9 t -55.6 -44.03 76.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.925 0.393 . . . . 0.0 110.653 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 43' ' ' ILE . . . . . . . . . . . . . 13.7 mt -59.84 -35.83 62.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.803 179.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 44' ' ' PHE . . . . . 0.567 ' CD2' ' HB3' ' C' ' 15' ' ' LEU . 2.6 m-85 -73.12 -58.48 3.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.303 178.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 45' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -63.03 -21.68 66.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.72 -179.205 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 46' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -39.76 149.44 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.953 0.406 . . . . 0.0 111.814 -179.269 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -72.79 -28.4 62.56 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.388 -179.464 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . 0.534 ' CD1' ' HA ' ' D' ' 129' ' ' TYR . 0.4 OUTLIER -79.2 -47.46 15.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.02 0.438 . . . . 0.0 110.212 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' C' C ' 49' ' ' PHE . . . . . 0.424 ' CE2' HD11 ' C' ' 53' ' ' ILE . 85.0 t80 -51.22 -55.71 16.65 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.297 -179.539 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 -54.75 -41.9 70.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.996 0.427 . . . . 0.0 110.485 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 51' ' ' ALA . . . . . 0.403 ' O ' HG12 ' C' ' 55' ' ' ILE . . . -58.76 -49.18 78.62 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.603 179.576 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 52' ' ' LEU . . . . . 0.407 HD11 ' HB2' ' D' ' 128' ' ' LEU . 0.5 OUTLIER -57.95 -45.64 86.31 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.39 179.388 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' C' C ' 53' ' ' ILE . . . . . 0.431 HD13 HG21 ' C' ' 53' ' ' ILE . 35.6 mt -51.16 -40.09 21.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 121.081 0.467 . . . . 0.0 110.087 178.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -66.88 -34.34 77.58 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.249 179.193 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 55' ' ' ILE . . . . . 0.424 ' CG2' ' HB2' ' C' ' 59' ' ' TYR . 37.3 mm -56.0 -40.83 65.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.852 179.678 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 56' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -52.71 -20.75 3.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.648 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 57' ' ' GLU . . . . . 0.404 ' O ' ' CG ' ' C' ' 58' ' ' PHE . 2.4 mm-40 -42.96 -46.61 5.49 Favored 'General case' 0 N--CA 1.462 0.169 0 N-CA-C 111.712 0.264 . . . . 0.0 111.712 -179.777 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 58' ' ' PHE . . . . . 0.44 ' CD1' ' HB2' ' A' ' 65' ' ' ASP . 90.3 m-85 -157.57 27.58 0.28 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.762 0.315 . . . . 0.0 111.645 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 59' ' ' TYR . . . . . 0.447 ' CE2' ' CD1' ' A' ' 63' ' ' LEU . 42.0 m-85 -126.27 75.42 1.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.248 179.43 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 60' ' ' GLU . . . . . 0.409 ' HB2' ' HB ' ' A' ' 62' ' ' THR . 0.6 OUTLIER -63.93 96.21 0.13 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.813 0.34 . . . . 0.0 111.067 -179.557 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' C' C ' 61' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -72.93 98.96 0.94 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.188 0 CA-C-O 120.8 0.333 . . . . 0.0 110.906 179.695 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 62' ' ' THR . . . . . . . . . . . . . 22.3 m -83.66 117.03 22.92 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.65 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 63' ' ' LEU . . . . . 0.419 ' CD1' ' CE2' ' A' ' 59' ' ' TYR . 0.1 OUTLIER -89.93 129.62 36.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.786 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' C' C ' 64' ' ' LEU . . . . . 0.589 ' CD2' ' N ' ' C' ' 64' ' ' LEU . 0.0 OUTLIER -108.17 -29.75 8.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.472 -179.805 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' C' C ' 65' ' ' ASP . . . . . 0.428 ' HB2' ' CG ' ' A' ' 58' ' ' PHE . 0.1 OUTLIER -149.38 -85.22 0.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.067 179.898 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' C' C ' 66' ' ' ASN . . . . . . . . . . . . . 6.2 p30 . . . . . 0 C--N 1.332 -0.179 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.023 179.95 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 111.598 -0.601 . . . . 0.0 111.598 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 82' ' ' LEU . . . . . 0.421 ' HB2' ' CG ' ' D' ' 130' ' ' ASP . 6.7 tt -103.53 -25.84 13.06 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 122.671 0.389 . . . . 0.0 111.35 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 83' ' ' LEU . . . . . 0.676 ' O ' ' HB3' ' D' ' 87' ' ' ARG . 0.0 OUTLIER -79.09 -50.93 10.26 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.998 -178.924 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' D' D ' 84' ' ' ALA . . . . . 0.776 ' O ' ' HB1' ' D' ' 88' ' ' ALA . . . -74.51 -23.26 58.81 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.297 -179.459 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 85' ' ' ALA . . . . . 0.515 ' CB ' ' HB3' ' D' ' 126' ' ' LEU . . . -51.99 -25.71 8.97 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.529 -0.468 . . . . 0.0 109.875 179.316 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 86' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -124.33 -35.36 2.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.141 178.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 87' ' ' ARG . . . . . 0.676 ' HB3' ' O ' ' D' ' 83' ' ' LEU . 17.0 ttt180 -71.92 -38.83 69.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.703 179.655 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 88' ' ' ALA . . . . . 0.776 ' HB1' ' O ' ' D' ' 84' ' ' ALA . . . -73.41 -36.88 66.07 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.037 -179.552 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 89' ' ' VAL . . . . . 0.478 ' CG1' ' HB3' ' D' ' 117' ' ' PHE . 45.8 t -76.27 -37.56 32.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.721 179.635 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 38.4 m -76.22 -40.57 51.82 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.439 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 91' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -66.25 -46.52 76.83 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 121.125 0.488 . . . . 0.0 109.871 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 92' ' ' VAL . . . . . . . . . . . . . 60.0 t -68.62 -27.76 37.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.394 178.008 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 93' ' ' LEU . . . . . 0.583 ' CD2' ' HA ' ' D' ' 114' ' ' HIS . 1.7 mt -62.12 -41.18 97.99 Favored 'General case' 0 C--O 1.231 0.089 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.297 179.733 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.19 -29.84 34.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.225 -179.625 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 95' ' ' SER . . . . . 0.417 ' HB3' ' CD2' ' C' ' 33' ' ' LEU . 20.0 m -79.9 -24.58 41.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.289 -0.414 . . . . 0.0 112.067 -179.344 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 96' ' ' LEU . . . . . 0.512 ' O ' ' HB ' ' D' ' 99' ' ' ILE . 0.2 OUTLIER -38.75 -49.84 1.62 Allowed 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -179.331 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -64.83 -32.05 73.56 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.564 -179.188 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 98' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.05 -35.96 77.17 Favored 'General case' 0 C--O 1.237 0.405 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 178.018 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 99' ' ' ILE . . . . . 0.517 HG12 HD11 ' C' ' 25' ' ' LEU . 20.3 mt -60.2 -48.52 87.78 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.883 0 CA-C-N 114.283 -1.326 . . . . 0.0 110.254 178.76 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 100' ' ' HIS . . . . . 0.517 ' HB2' ' CD1' ' D' ' 110' ' ' LEU . 1.9 t-160 -57.64 -35.7 70.86 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 178.215 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 101' ' ' ALA . . . . . . . . . . . . . . . -53.66 -43.05 68.5 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 114.662 -1.154 . . . . 0.0 111.406 179.156 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 102' ' ' LEU . . . . . 0.417 ' CD1' HD23 ' C' ' 25' ' ' LEU . 0.3 OUTLIER -118.04 22.23 12.34 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -177.679 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' D' D ' 103' ' ' THR . . . . . 0.451 ' OG1' ' O ' ' D' ' 99' ' ' ILE . 42.7 p -140.47 -10.49 1.07 Allowed 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 55.23 23.73 5.73 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.917 0.389 . . . . 0.0 110.759 -179.397 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 105' ' ' SER . . . . . 0.469 ' HB3' ' CE1' ' C' ' 21' ' ' TYR . 0.2 OUTLIER -58.92 -19.58 43.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.161 179.77 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' D' D ' 106' ' ' SER . . . . . 0.413 ' CB ' ' O ' ' D' ' 105' ' ' SER . 4.3 t 81.1 121.09 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.465 -179.593 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -53.15 -23.75 9.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.289 -179.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 1.4 mmtp -60.54 -55.61 31.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.133 0.492 . . . . 0.0 110.162 179.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 109' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -62.27 -36.71 82.92 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.552 178.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 110' ' ' LEU . . . . . 0.517 ' CD1' ' HB2' ' D' ' 100' ' ' HIS . 19.1 mt -60.93 -45.54 94.3 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.779 178.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 111' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -54.64 -45.93 73.84 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.686 179.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 112' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -60.13 -38.94 84.57 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.668 179.751 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 113' ' ' LEU . . . . . 0.496 HD21 ' O ' ' C' ' 14' ' ' ALA . 0.4 OUTLIER -76.24 -34.94 59.2 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.179 -179.742 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' D' D ' 114' ' ' HIS . . . . . 0.583 ' HA ' ' CD2' ' D' ' 93' ' ' LEU . 97.0 m-70 -59.93 -34.77 73.67 Favored 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 178.185 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 115' ' ' SER . . . . . . . . . . . . . 3.7 t -74.24 -38.32 63.54 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 178.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 116' ' ' VAL . . . . . 0.411 ' O ' ' CD2' ' D' ' 122' ' ' LEU . 14.0 t -59.41 -23.83 26.44 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.73 178.511 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 117' ' ' PHE . . . . . 0.478 ' HB3' ' CG1' ' D' ' 89' ' ' VAL . 24.2 m-85 -103.42 -30.36 10.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.157 -179.711 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 118' ' ' GLN . . . . . 0.421 ' NE2' ' O ' ' D' ' 114' ' ' HIS . 0.0 OUTLIER -65.26 -30.14 70.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.028 -179.607 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -45.43 113.04 0.52 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.47 -179.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 120' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -58.17 -35.48 71.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.696 179.793 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 121' ' ' HIS . . . . . . . . . . . . . 16.0 m80 -62.84 -35.54 80.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.647 179.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 122' ' ' LEU . . . . . 0.411 ' CD2' ' O ' ' D' ' 116' ' ' VAL . 44.3 tp -56.52 -49.1 75.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.641 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 123' ' ' HIS . . . . . 0.5 ' HA ' ' CD1' ' D' ' 126' ' ' LEU . 11.7 m170 -55.38 -23.83 26.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.249 179.159 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 124' ' ' THR . . . . . 0.417 ' HA ' ' OD2' ' D' ' 127' ' ' ASP . 2.3 m -76.31 -38.72 55.65 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 178.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 125' ' ' LEU . . . . . 0.402 ' CD1' ' HA ' ' D' ' 122' ' ' LEU . 2.8 mt -70.79 -28.64 64.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.748 178.568 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 126' ' ' LEU . . . . . 0.515 ' HB3' ' CB ' ' D' ' 85' ' ' ALA . 11.5 mt -73.6 -50.76 19.58 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.648 -179.483 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 127' ' ' ASP . . . . . 0.417 ' OD2' ' HA ' ' D' ' 124' ' ' THR . 1.3 p30 -64.86 -38.89 92.49 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 179.087 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 128' ' ' LEU . . . . . 0.415 HD22 ' CD2' ' A' ' 59' ' ' TYR . 44.2 mt -73.65 -29.7 62.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.855 178.522 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 129' ' ' TYR . . . . . 0.534 ' HA ' ' CD1' ' C' ' 48' ' ' LEU . 7.8 t80 -55.7 -52.34 64.22 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.579 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 130' ' ' ASP . . . . . 0.421 ' CG ' ' HB2' ' D' ' 82' ' ' LEU . 11.4 t70 -76.98 -31.26 56.39 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.691 -0.404 . . . . 0.0 111.323 179.514 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.44 -50.45 67.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.038 -179.522 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 132' ' ' ILE . . . . . . . . . . . . . 5.0 mt -78.77 -38.66 21.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.827 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 133' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -63.42 -27.04 69.02 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.119 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 134' ' ' THR . . . . . . . . . . . . . 90.8 m -82.28 -45.92 14.34 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.143 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 135' ' ' LYS . . . . . . . . . . . . . 2.3 mmpt? -56.99 -35.35 69.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 136' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.784 179.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.209 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.54 -36.8 83.78 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 121.145 0.497 . . . . 0.0 109.832 179.047 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 59.2 mm-40 -76.71 -28.65 55.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.219 179.199 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -78.97 -32.62 45.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.446 179.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 79.3 p -72.76 -41.36 65.17 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.426 179.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -69.55 -40.19 76.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.323 179.583 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.6 ttm180 -73.31 -24.63 60.42 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.074 179.157 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.483 ' O ' HD21 ' B' ' 113' ' ' LEU . . . -78.6 -51.28 10.13 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.104 179.155 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.48 ' CD2' ' HB3' ' A' ' 44' ' ' PHE . 0.4 OUTLIER -67.76 -25.05 65.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.645 179.579 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.3 m170 -72.99 -45.85 55.56 Favored 'General case' 0 CA--C 1.518 -0.27 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 178.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.455 ' CD2' ' CE1' ' A' ' 21' ' ' TYR . 3.0 mt -63.35 -35.5 80.59 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.227 178.352 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.434 ' CD2' ' CG1' ' B' ' 92' ' ' VAL . 31.8 mt -63.36 -40.95 98.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.133 -0.94 . . . . 0.0 110.503 179.517 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -64.04 -38.61 91.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.489 179.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.65 -36.95 62.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.225 179.679 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.61 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 11.8 m-30 -67.52 -46.47 72.74 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.925 179.561 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.415 ' CG ' ' CG ' ' A' ' 34' ' ' ARG . 4.2 ttt180 -55.58 -51.33 67.47 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.792 179.531 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 72.2 p -57.96 -36.98 73.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.115 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.407 ' HG3' ' HB ' ' B' ' 103' ' ' THR . 8.4 ptmt -96.09 4.0 52.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.702 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.61 ' HB2' ' O ' ' A' ' 21' ' ' TYR . 0.2 OUTLIER -94.05 -66.09 0.94 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.002 0.429 . . . . 0.0 111.149 -179.751 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.506 ' HB3' ' HB2' ' A' ' 34' ' ' ARG . 1.5 p -60.41 -157.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.144 -179.187 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.423 ' OE1' ' NH1' ' A' ' 31' ' ' ARG . 1.3 mp0 59.62 28.14 17.5 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 120.964 0.412 . . . . 0.0 110.459 -179.762 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.536 ' CG2' ' H ' ' A' ' 29' ' ' GLU . 3.7 t -150.3 -63.51 0.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.379 -179.546 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.536 ' H ' ' CG2' ' A' ' 28' ' ' THR . 26.8 pt-20 -170.01 27.66 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.68 -179.289 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.503 ' HB2' HD23 ' A' ' 25' ' ' LEU . 4.8 m-20 -146.74 56.33 1.14 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.999 0.428 . . . . 0.0 110.783 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.423 ' NH1' ' OE1' ' A' ' 27' ' ' GLN . 12.9 mmm180 -66.23 -48.27 71.11 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.143 179.781 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -58.72 -48.94 79.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.799 178.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.421 HD13 ' CB ' ' B' ' 95' ' ' SER . 9.4 tp -53.51 -35.51 60.72 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.032 178.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.506 ' HB2' ' HB3' ' A' ' 26' ' ' SER . 6.7 ttp180 -60.67 -43.96 97.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.722 178.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.6 m -60.67 -32.65 71.84 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.47 -0.787 . . . . 0.0 110.456 179.234 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.421 ' CB ' ' NE2' ' B' ' 91' ' ' GLN . 61.0 m -66.41 -51.29 58.5 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.93 0.395 . . . . 0.0 110.628 179.695 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.58 ' O ' HG12 ' A' ' 41' ' ' ILE . 6.4 mt -56.55 -40.58 69.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.268 0.556 . . . . 0.0 109.83 179.152 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.81 -52.59 64.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.042 -0.981 . . . . 0.0 111.909 -179.636 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.677 ' HG3' ' HB2' ' B' ' 88' ' ' ALA . 3.0 ptp180 -55.77 -34.59 65.38 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.066 -179.649 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.444 ' CG1' ' CE2' ' A' ' 44' ' ' PHE . 98.5 t -66.83 -34.42 69.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 178.17 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.58 HG12 ' O ' ' A' ' 37' ' ' ILE . 12.4 mm -64.96 -61.07 1.87 Allowed 'Isoleucine or valine' 0 C--O 1.227 -0.131 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.05 179.232 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.3 p -54.97 -47.33 74.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.626 -179.423 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.484 HD11 HG22 ' A' ' 43' ' ' ILE . 14.2 mt -59.88 -32.01 48.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.738 178.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.48 ' HB3' ' CD2' ' A' ' 15' ' ' LEU . 0.5 OUTLIER -72.59 -58.59 3.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.819 178.926 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.412 ' HG3' ' O ' ' A' ' 41' ' ' ILE . 22.3 mt-30 -66.63 -17.23 64.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.515 -179.563 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.456 ' CB ' ' CE1' ' B' ' 129' ' ' TYR . 1.2 m -38.81 127.02 1.56 Allowed 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.94 0.4 . . . . 0.0 111.623 -179.53 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -55.04 -29.74 58.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.295 -179.806 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.486 ' CD2' ' HB ' ' B' ' 132' ' ' ILE . 1.3 tp -79.84 -47.91 14.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.71 0.291 . . . . 0.0 110.803 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.43 ' CE1' HD23 ' B' ' 126' ' ' LEU . 79.7 t80 -50.99 -51.98 47.37 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.865 -179.677 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -59.28 -35.83 74.47 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.93 0.395 . . . . 0.0 110.427 179.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.79 -43.67 90.52 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.321 179.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.8 mt -62.24 -44.1 97.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.103 179.206 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.421 HD12 ' CE2' ' A' ' 49' ' ' PHE . 53.5 mt -52.09 -41.99 33.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.558 179.391 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -67.24 -38.1 84.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.411 179.398 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.42 ' CG2' ' HB2' ' A' ' 59' ' ' TYR . 68.3 mt -61.59 -41.51 90.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.641 179.564 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -51.92 -23.44 4.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.609 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.405 ' O ' ' CD1' ' A' ' 58' ' ' PHE . 68.4 mt-10 -47.1 -36.82 8.77 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.692 -179.685 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.458 ' CG ' ' HB3' ' C' ' 65' ' ' ASP . 61.2 m-85 -154.28 30.08 0.44 Allowed 'General case' 0 C--O 1.234 0.251 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 -179.529 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.458 ' CD2' HD22 ' D' ' 128' ' ' LEU . 57.5 m-85 -134.09 75.39 1.59 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.563 179.477 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.26 100.35 0.23 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.8 -179.743 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -72.83 96.94 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.966 0.412 . . . . 0.0 110.684 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.409 ' HB ' ' CB ' ' C' ' 60' ' ' GLU . 1.7 m -72.34 116.95 13.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.975 -179.788 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.433 ' CD1' ' CE2' ' C' ' 59' ' ' TYR . 2.9 tp -88.27 118.48 27.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.337 179.423 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.415 ' HG ' ' HA ' ' C' ' 58' ' ' PHE . 0.2 OUTLIER -106.96 -28.48 10.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.341 -179.71 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.427 ' HB2' ' CG ' ' C' ' 58' ' ' PHE . 2.4 t0 -64.9 -47.12 78.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.95 0.405 . . . . 0.0 110.465 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.465 0.301 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.644 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.382 0 N-CA-C 111.617 -0.593 . . . . 0.0 111.617 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . 0.59 ' HA ' ' CG ' ' B' ' 130' ' ' ASP . 8.8 tt -110.22 -23.17 11.39 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 122.498 0.319 . . . . 0.0 111.579 -179.561 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . 0.642 ' O ' ' HB3' ' B' ' 87' ' ' ARG . 0.0 OUTLIER -72.44 -49.45 33.34 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.007 0.432 . . . . 0.0 110.677 -179.578 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . 0.578 ' O ' ' HB3' ' B' ' 88' ' ' ALA . . . -67.98 -25.6 65.51 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.58 -178.785 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 85' ' ' ALA . . . . . 0.439 ' CB ' ' HB3' ' B' ' 126' ' ' LEU . . . -52.5 -24.71 8.54 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.494 -0.482 . . . . 0.0 110.198 179.383 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -126.02 -44.81 1.75 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.991 178.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 87' ' ' ARG . . . . . 0.642 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 7.7 ttt85 -57.9 -47.46 82.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.355 179.139 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . 0.677 ' HB2' ' HG3' ' A' ' 39' ' ' ARG . . . -56.36 -46.25 80.1 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.406 -0.816 . . . . 0.0 111.373 -179.267 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 89' ' ' VAL . . . . . 0.506 ' O ' ' HB2' ' B' ' 93' ' ' LEU . 25.4 t -69.61 -30.17 44.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.074 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 13.4 t -74.7 -35.5 62.73 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.79 -179.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 91' ' ' GLN . . . . . 0.584 ' HG3' ' O ' ' B' ' 87' ' ' ARG . 6.2 mt-30 -68.69 -52.91 25.85 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-O 121.2 0.524 . . . . 0.0 109.633 179.741 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 92' ' ' VAL . . . . . 0.434 ' CG1' ' CD2' ' A' ' 18' ' ' LEU . 12.5 t -63.55 -27.83 43.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.086 179.364 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . 0.568 HD23 ' HA ' ' B' ' 114' ' ' HIS . 1.8 mt -66.54 -43.28 85.53 Favored 'General case' 0 C--N 1.337 0.041 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.448 179.667 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.57 -33.89 35.77 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.81 -179.73 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 95' ' ' SER . . . . . 0.421 ' CB ' HD13 ' A' ' 33' ' ' LEU . 8.2 m -79.96 -22.91 42.05 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.568 -179.773 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . 0.459 ' O ' ' HB ' ' B' ' 99' ' ' ILE . 0.2 OUTLIER -38.01 -52.59 1.39 Allowed 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -179.358 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -70.11 -28.32 65.29 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.971 0.415 . . . . 0.0 111.022 -179.356 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' B' ' 95' ' ' SER . 0.1 OUTLIER -69.82 -34.79 74.15 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.796 -1.186 . . . . 0.0 107.796 177.755 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 99' ' ' ILE . . . . . 0.48 HG12 ' CD1' ' A' ' 25' ' ' LEU . 39.8 mt -62.45 -49.79 82.45 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.777 0 CA-C-N 114.446 -1.252 . . . . 0.0 109.88 178.595 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . 0.507 ' HB2' ' CD1' ' B' ' 110' ' ' LEU . 1.9 t-160 -56.57 -33.76 66.46 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 178.231 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -56.65 -45.61 81.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 114.459 -1.246 . . . . 0.0 111.899 179.419 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 102' ' ' LEU . . . . . 0.431 ' CD1' HD22 ' A' ' 25' ' ' LEU . 0.4 OUTLIER -117.37 26.5 9.7 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.615 -0.721 . . . . 0.0 112.684 -177.361 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 103' ' ' THR . . . . . 0.448 HG22 ' O ' ' B' ' 99' ' ' ILE . 33.9 p -140.64 -31.98 0.6 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.717 0.294 . . . . 0.0 111.534 179.677 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 13.1 t70 68.45 27.47 6.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.905 0.384 . . . . 0.0 110.397 -179.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 105' ' ' SER . . . . . 0.409 ' OG ' ' CE1' ' A' ' 21' ' ' TYR . 3.3 m -54.31 -76.78 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.724 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 167.76 104.01 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.56 179.774 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -47.97 -32.86 6.99 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.92 0.39 . . . . 0.0 110.637 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.56 -46.61 72.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.629 178.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -63.05 -36.93 85.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.721 178.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 110' ' ' LEU . . . . . 0.507 ' CD1' ' HB2' ' B' ' 100' ' ' HIS . 29.5 mt -60.26 -39.78 88.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.899 179.049 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.8 -43.68 95.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.559 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -58.44 -38.75 78.11 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.416 179.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 113' ' ' LEU . . . . . 0.483 HD21 ' O ' ' A' ' 14' ' ' ALA . 0.5 OUTLIER -76.11 -31.28 58.6 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.944 -179.766 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 114' ' ' HIS . . . . . 0.568 ' HA ' HD23 ' B' ' 93' ' ' LEU . 0.0 OUTLIER -64.92 -29.77 70.73 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 178.834 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 115' ' ' SER . . . . . 0.433 ' N ' ' CD2' ' B' ' 114' ' ' HIS . 0.3 OUTLIER -79.2 -38.49 35.64 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 177.8 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 16.5 t -61.99 -23.73 32.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.592 178.07 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 117' ' ' PHE . . . . . 0.504 ' HB3' ' CG1' ' B' ' 89' ' ' VAL . 17.9 m-85 -99.98 -30.54 11.94 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.286 -179.692 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 118' ' ' GLN . . . . . 0.41 ' OE1' ' ND1' ' B' ' 114' ' ' HIS . 0.0 OUTLIER -66.94 -29.4 69.26 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.415 -179.531 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -46.66 114.19 0.78 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.419 -179.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.02 -38.33 85.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.548 179.758 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -59.64 -34.32 72.65 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.617 179.704 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 47.7 tp -56.16 -46.29 79.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.504 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 123' ' ' HIS . . . . . 0.481 ' HA ' ' CD1' ' B' ' 126' ' ' LEU . 38.7 m170 -57.58 -25.33 59.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.07 179.078 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 124' ' ' THR . . . . . . . . . . . . . 1.8 m -73.74 -37.92 64.92 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.179 -0.675 . . . . 0.0 109.179 178.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 4.3 mt -71.32 -32.32 68.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.602 178.469 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . 0.481 ' CD1' ' HA ' ' B' ' 123' ' ' HIS . 7.5 mt -73.34 -50.62 21.06 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.145 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.22 -53.04 62.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.095 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . 0.444 ' CD2' ' CD2' ' C' ' 59' ' ' TYR . 14.3 mt -60.85 -39.06 87.67 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.638 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 129' ' ' TYR . . . . . 0.456 ' CE1' ' CB ' ' A' ' 46' ' ' SER . 1.0 OUTLIER -56.34 -40.94 75.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.132 0.491 . . . . 0.0 110.354 179.582 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 130' ' ' ASP . . . . . 0.59 ' CG ' ' HA ' ' B' ' 82' ' ' LEU . 0.3 OUTLIER -76.23 -40.27 52.45 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.196 179.93 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 24.8 mmtt -54.56 -54.12 45.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.358 -179.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 132' ' ' ILE . . . . . 0.486 ' HB ' ' CD2' ' A' ' 48' ' ' LEU . 1.8 mt -72.87 -35.86 50.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.912 0.387 . . . . 0.0 110.708 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 133' ' ' ASN . . . . . 0.451 ' HB2' HD23 ' A' ' 48' ' ' LEU . 48.0 t-20 -63.69 -25.88 68.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.818 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 134' ' ' THR . . . . . 0.428 ' O ' ' HG3' ' B' ' 135' ' ' LYS . 58.2 m -94.39 28.81 2.43 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.19 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 135' ' ' LYS . . . . . 0.428 ' HG3' ' O ' ' B' ' 134' ' ' THR . 1.6 pttp 41.81 32.08 0.25 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.696 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 10.8 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.98 179.913 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.13 -36.31 83.2 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.2 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -75.74 -28.93 58.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.026 179.071 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -79.47 -30.61 42.17 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.301 179.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 3.3 p -73.08 -42.39 63.07 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.542 179.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -71.13 -38.75 72.26 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.357 179.515 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 18.7 ttm180 -73.04 -24.77 60.75 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.931 178.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 14' ' ' ALA . . . . . 0.474 ' O ' HD22 ' D' ' 113' ' ' LEU . . . -78.47 -54.23 6.39 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.6 178.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 15' ' ' LEU . . . . . 0.509 ' CD2' ' HB3' ' C' ' 44' ' ' PHE . 0.4 OUTLIER -62.34 -26.07 68.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.602 179.38 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' C' C ' 16' ' ' HIS . . . . . . . . . . . . . 6.8 m170 -73.19 -45.88 53.83 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 178.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . 0.435 HD22 ' CE1' ' C' ' 21' ' ' TYR . 5.7 mt -63.15 -36.4 83.48 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.458 178.618 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . 0.434 ' CD2' ' CG1' ' D' ' 92' ' ' VAL . 38.8 mt -62.99 -46.8 85.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.632 179.587 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -57.91 -41.51 82.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.767 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -71.53 -32.36 68.07 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.221 179.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 21' ' ' TYR . . . . . 0.65 ' O ' ' HB2' ' C' ' 25' ' ' LEU . 14.4 m-30 -70.13 -48.65 56.58 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.451 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 22' ' ' ARG . . . . . 0.446 ' HB2' ' CG ' ' C' ' 34' ' ' ARG . 6.5 ptm180 -55.66 -42.66 75.39 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.607 179.455 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 17.7 t -59.68 -43.27 94.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.734 179.498 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 24' ' ' LYS . . . . . . . . . . . . . 10.1 ptmt -98.74 13.17 33.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.74 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 25' ' ' LEU . . . . . 0.65 ' HB2' ' O ' ' C' ' 21' ' ' TYR . 0.0 OUTLIER -107.85 -67.5 0.96 Allowed 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.815 0.302 . . . . 0.0 111.815 -179.269 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' C' C ' 26' ' ' SER . . . . . 0.58 ' CB ' ' HB2' ' C' ' 34' ' ' ARG . 0.0 OUTLIER -61.74 -18.13 58.58 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -178.399 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' C' C ' 27' ' ' GLN . . . . . 0.435 ' OE1' ' NH1' ' C' ' 31' ' ' ARG . 0.3 OUTLIER -72.65 57.38 0.41 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.946 0.403 . . . . 0.0 111.077 -179.513 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' C' C ' 28' ' ' THR . . . . . 0.482 ' CG2' ' H ' ' C' ' 29' ' ' GLU . 9.0 t -176.34 -58.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 112.058 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 29' ' ' GLU . . . . . 0.482 ' H ' ' CG2' ' C' ' 28' ' ' THR . 14.8 pt-20 -168.57 29.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -178.792 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 30' ' ' ASP . . . . . 0.576 ' HB2' HD21 ' C' ' 25' ' ' LEU . 2.0 m-20 -141.93 47.23 1.64 Allowed 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 120.932 -0.307 . . . . 0.0 111.654 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . 0.473 ' HA ' ' HB2' ' C' ' 26' ' ' SER . 10.8 mmm180 -54.87 -51.88 64.56 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.181 0.515 . . . . 0.0 110.715 179.456 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.04 -45.88 75.26 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.098 179.116 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 33' ' ' LEU . . . . . 0.447 HD11 ' CB ' ' D' ' 95' ' ' SER . 3.9 tp -53.1 -35.09 59.25 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.951 179.073 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 34' ' ' ARG . . . . . 0.58 ' HB2' ' CB ' ' C' ' 26' ' ' SER . 6.0 ttp180 -60.76 -45.83 92.8 Favored 'General case' 0 CA--C 1.512 -0.495 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 178.535 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 10.4 t -54.13 -36.9 63.78 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.376 179.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 36' ' ' SER . . . . . 0.42 ' O ' ' CG ' ' C' ' 39' ' ' ARG . 3.9 p -68.88 -49.63 56.58 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.951 0.405 . . . . 0.0 110.319 179.051 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 37' ' ' ILE . . . . . 0.622 ' O ' HG12 ' C' ' 41' ' ' ILE . 52.0 mt -58.1 -38.14 65.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.081 0.467 . . . . 0.0 109.816 178.809 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -61.45 -52.38 64.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.61 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 39' ' ' ARG . . . . . 0.476 ' HG3' ' HB3' ' D' ' 88' ' ' ALA . 4.3 ptp85 -55.52 -35.05 65.21 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.652 -0.419 . . . . 0.0 109.897 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . 0.515 ' O ' ' HB2' ' C' ' 44' ' ' PHE . 57.9 t -68.73 -31.96 52.99 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 CA-C-N 116.257 -0.429 . . . . 0.0 109.925 178.336 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 41' ' ' ILE . . . . . 0.622 HG12 ' O ' ' C' ' 37' ' ' ILE . 8.6 mm -69.31 -59.48 3.51 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.601 179.672 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 16.5 p -57.76 -47.16 83.28 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-O 121.022 0.439 . . . . 0.0 110.5 -179.228 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 43' ' ' ILE . . . . . 0.437 ' HA ' ' CZ ' ' D' ' 129' ' ' TYR . 31.2 mt -59.94 -33.08 51.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.966 179.05 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 44' ' ' PHE . . . . . 0.515 ' HB2' ' O ' ' C' ' 40' ' ' VAL . 0.2 OUTLIER -73.04 -57.48 4.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.804 -179.932 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' C' C ' 45' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -80.21 -18.5 49.38 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 -176.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 46' ' ' SER . . . . . 0.437 ' CB ' ' OH ' ' D' ' 129' ' ' TYR . 0.4 OUTLIER -45.28 143.92 1.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.989 0.424 . . . . 0.0 111.328 -179.286 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -54.94 -22.53 15.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.389 -178.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . 0.482 ' HB3' ' CD2' ' D' ' 129' ' ' TYR . 0.3 OUTLIER -75.74 -46.2 32.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.818 0.342 . . . . 0.0 111.033 -179.475 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' C' C ' 49' ' ' PHE . . . . . 0.43 ' CD2' HD11 ' C' ' 53' ' ' ILE . 19.7 t80 -51.29 -56.3 13.72 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.54 -179.195 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 50.2 mm-40 -51.75 -39.17 58.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.866 0.365 . . . . 0.0 110.739 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.76 -52.24 65.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.764 179.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 52' ' ' LEU . . . . . 0.402 HD13 ' O ' ' D' ' 125' ' ' LEU . 1.2 mt -58.33 -46.99 85.17 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.721 179.801 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 53' ' ' ILE . . . . . 0.43 HD11 ' CD2' ' C' ' 49' ' ' PHE . 63.4 mt -53.64 -36.26 28.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.543 179.541 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.72 -30.64 64.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.623 179.474 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 55' ' ' ILE . . . . . 0.427 ' CG2' ' CD2' ' B' ' 128' ' ' LEU . 72.7 mt -70.07 -50.95 43.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.163 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 56' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -53.51 -23.15 9.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.533 -179.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.71 -35.19 13.49 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.633 0.254 . . . . 0.0 111.023 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 58' ' ' PHE . . . . . 0.427 ' CG ' ' HB2' ' A' ' 65' ' ' ASP . 80.7 m-85 -146.92 16.03 1.21 Allowed 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 59' ' ' TYR . . . . . 0.444 ' CD2' ' CD2' ' B' ' 128' ' ' LEU . 13.4 m-85 -130.64 62.28 1.6 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.886 0.374 . . . . 0.0 110.675 179.804 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 60' ' ' GLU . . . . . 0.409 ' CB ' ' HB ' ' A' ' 62' ' ' THR . 0.9 OUTLIER -48.29 95.8 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.976 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' C' C ' 61' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -72.14 104.44 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.993 0.425 . . . . 0.0 111.276 -179.713 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 62' ' ' THR . . . . . . . . . . . . . 2.5 m -89.19 110.43 21.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.472 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 63' ' ' LEU . . . . . 0.428 ' CD1' ' CE2' ' A' ' 59' ' ' TYR . 0.2 OUTLIER -82.56 132.47 35.19 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.835 -179.912 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' C' C ' 64' ' ' LEU . . . . . 0.451 ' CD2' ' N ' ' C' ' 64' ' ' LEU . 0.1 OUTLIER -116.75 -31.29 5.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.469 -179.558 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' C' C ' 65' ' ' ASP . . . . . 0.458 ' HB3' ' CG ' ' A' ' 58' ' ' PHE . 2.7 p30 -60.67 -27.46 67.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.897 0.38 . . . . 0.0 110.694 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 66' ' ' ASN . . . . . . . . . . . . . 18.2 p-10 . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.285 179.878 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.48 0 N-CA-C 109.543 -1.423 . . . . 0.0 109.543 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' 82' ' ' LEU . . . . . 0.558 ' CD2' ' N ' ' D' ' 82' ' ' LEU . 0.5 OUTLIER -78.13 -24.47 47.41 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 177.67 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' D' D ' 83' ' ' LEU . . . . . 0.67 ' O ' ' HB3' ' D' ' 87' ' ' ARG . 0.3 OUTLIER -66.53 -47.12 73.88 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.021 -0.991 . . . . 0.0 110.698 -179.835 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' D' D ' 84' ' ' ALA . . . . . 0.717 ' O ' ' HB1' ' D' ' 88' ' ' ALA . . . -77.82 -20.04 53.9 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.435 -179.216 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 85' ' ' ALA . . . . . 0.462 ' CB ' ' CB ' ' D' ' 126' ' ' LEU . . . -52.3 -23.19 5.39 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.214 0.53 . . . . 0.0 110.112 179.253 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 86' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -128.29 -38.97 1.73 Allowed 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.536 178.72 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 87' ' ' ARG . . . . . 0.67 ' HB3' ' O ' ' D' ' 83' ' ' LEU . 31.9 ttt85 -65.53 -41.0 93.56 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.493 179.288 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 88' ' ' ALA . . . . . 0.717 ' HB1' ' O ' ' D' ' 84' ' ' ALA . . . -70.6 -46.15 63.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.597 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 89' ' ' VAL . . . . . 0.48 ' CG1' ' HB3' ' D' ' 117' ' ' PHE . 28.9 t -68.69 -35.82 71.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.34 179.24 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 90' ' ' SER . . . . . 0.428 ' HA ' ' HB2' ' D' ' 93' ' ' LEU . 62.5 m -75.35 -24.75 57.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.632 179.308 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 91' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -67.69 -57.09 6.98 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-O 121.325 0.583 . . . . 0.0 109.627 179.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 92' ' ' VAL . . . . . 0.434 ' CG1' ' CD2' ' C' ' 18' ' ' LEU . 3.6 t -66.09 -27.99 42.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.262 -0.881 . . . . 0.0 109.902 179.127 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 93' ' ' LEU . . . . . 0.639 HD22 ' HA ' ' D' ' 114' ' ' HIS . 2.3 mt -64.36 -37.9 89.12 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.263 179.7 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -83.22 -35.35 25.49 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.929 0.395 . . . . 0.0 111.136 -179.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 95' ' ' SER . . . . . 0.447 ' CB ' HD11 ' C' ' 33' ' ' LEU . 16.1 m -80.59 -23.36 39.92 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.137 -179.509 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 96' ' ' LEU . . . . . 0.47 ' O ' ' HB ' ' D' ' 99' ' ' ILE . 0.2 OUTLIER -36.83 -52.73 0.93 Allowed 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 112.722 0.638 . . . . 0.0 112.722 -178.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -70.54 -27.95 64.55 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.978 -179.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 98' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' D' ' 95' ' ' SER . 0.1 OUTLIER -69.83 -34.73 74.05 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 177.597 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' D' D ' 99' ' ' ILE . . . . . 0.47 ' HB ' ' O ' ' D' ' 96' ' ' LEU . 24.8 mt -61.45 -49.74 83.24 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.756 0 CA-C-N 114.452 -1.249 . . . . 0.0 109.925 178.437 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 100' ' ' HIS . . . . . 0.5 ' HB2' ' CD1' ' D' ' 110' ' ' LEU . 1.8 t-160 -57.42 -33.79 68.25 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 178.326 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 101' ' ' ALA . . . . . . . . . . . . . . . -57.8 -43.07 85.39 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.528 -1.214 . . . . 0.0 111.967 179.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 102' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' D' ' 98' ' ' GLU . 0.4 OUTLIER -119.41 25.94 9.75 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 -177.395 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' D' D ' 103' ' ' THR . . . . . 0.43 HG22 ' O ' ' D' ' 99' ' ' ILE . 30.9 p -141.25 -32.91 0.53 Allowed 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 120.984 -0.286 . . . . 0.0 111.517 179.727 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 67.73 28.29 7.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.873 0.368 . . . . 0.0 110.448 -179.427 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 105' ' ' SER . . . . . 0.42 ' OG ' ' CE1' ' C' ' 21' ' ' TYR . 3.7 m -52.84 -75.93 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.892 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 169.64 105.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.405 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -47.48 -39.28 15.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.871 0.367 . . . . 0.0 110.736 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 5.2 mmtp -63.3 -43.88 96.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.146 0.498 . . . . 0.0 109.853 179.157 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 109' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -65.03 -37.67 88.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.753 178.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 110' ' ' LEU . . . . . 0.5 ' CD1' ' HB2' ' D' ' 100' ' ' HIS . 13.3 mt -59.58 -49.67 76.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.929 179.136 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 111' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.66 -42.56 79.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.899 -179.697 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 112' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -58.67 -39.91 81.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.36 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 113' ' ' LEU . . . . . 0.474 HD22 ' O ' ' C' ' 14' ' ' ALA . 0.5 OUTLIER -73.71 -30.74 63.03 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.217 -179.704 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' D' D ' 114' ' ' HIS . . . . . 0.639 ' HA ' HD22 ' D' ' 93' ' ' LEU . 65.2 m80 -63.21 -34.85 78.55 Favored 'General case' 0 CA--C 1.517 -0.293 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 178.296 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 115' ' ' SER . . . . . . . . . . . . . 44.1 t -73.0 -39.54 65.97 Favored 'General case' 0 N--CA 1.453 -0.275 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 178.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 116' ' ' VAL . . . . . 0.45 HG13 ' CE1' ' D' ' 117' ' ' PHE . 41.3 t -62.28 -23.39 31.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.141 -0.936 . . . . 0.0 109.698 178.326 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 117' ' ' PHE . . . . . 0.48 ' HA ' ' CD2' ' D' ' 122' ' ' LEU . 8.4 m-30 -105.32 -18.88 13.97 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.585 -179.728 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 118' ' ' GLN . . . . . 0.422 ' N ' ' O ' ' D' ' 114' ' ' HIS . 0.0 OUTLIER -74.71 -33.65 62.46 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.725 0.298 . . . . 0.0 111.39 -179.5 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -42.45 127.95 3.82 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.711 -179.321 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 120' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -69.0 -46.9 66.84 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.674 179.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 121' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 -55.88 -34.03 65.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.404 179.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 122' ' ' LEU . . . . . 0.581 ' HG ' HD11 ' D' ' 126' ' ' LEU . 24.3 tp -56.19 -50.41 71.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.286 179.844 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 123' ' ' HIS . . . . . 0.508 ' HA ' HD13 ' D' ' 126' ' ' LEU . 28.9 m170 -51.73 -27.14 11.03 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.176 179.023 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 124' ' ' THR . . . . . . . . . . . . . 6.2 m -75.7 -35.86 60.18 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.92 179.372 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 125' ' ' LEU . . . . . 0.51 ' CD1' ' HA ' ' D' ' 122' ' ' LEU . 14.9 mt -62.32 -41.48 98.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.796 179.662 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 126' ' ' LEU . . . . . 0.581 HD11 ' HG ' ' D' ' 122' ' ' LEU . 1.7 mp -73.38 -40.43 64.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.46 -179.442 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 127' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.42 -53.5 57.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.946 0.403 . . . . 0.0 111.137 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 128' ' ' LEU . . . . . 0.458 HD22 ' CD2' ' A' ' 59' ' ' TYR . 2.4 mt -72.13 -29.09 63.72 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.339 179.622 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 129' ' ' TYR . . . . . 0.482 ' CD2' ' HB3' ' C' ' 48' ' ' LEU . 1.6 t80 -55.37 -52.56 63.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.313 -179.437 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 130' ' ' ASP . . . . . 0.428 ' HB2' HD21 ' D' ' 82' ' ' LEU . 2.2 m-20 -76.88 -36.44 56.73 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.832 0.349 . . . . 0.0 111.039 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 131' ' ' LYS . . . . . . . . . . . . . 7.1 mttm -56.57 -43.88 80.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.134 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 132' ' ' ILE . . . . . . . . . . . . . 5.3 mt -78.86 -39.05 21.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.865 0.364 . . . . 0.0 111.039 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 133' ' ' ASN . . . . . . . . . . . . . 16.6 t30 -63.71 -25.9 68.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.237 -179.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 134' ' ' THR . . . . . . . . . . . . . 74.8 m -81.28 -35.99 30.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.464 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 135' ' ' LYS . . . . . . . . . . . . . 12.1 mttp -92.59 -19.56 21.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.433 -179.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 136' ' ' SER . . . . . . . . . . . . . 5.5 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.314 -179.83 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.09 -38.56 91.66 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 121.136 0.493 . . . . 0.0 109.692 179.046 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 55.4 mm-40 -74.17 -29.86 61.97 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.023 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.628 ' HB3' HG22 ' B' ' 116' ' ' VAL . 1.1 m-20 -80.03 -29.81 39.4 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.233 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.776 HG23 ' CD1' ' A' ' 44' ' ' PHE . 94.9 m -71.21 -42.21 69.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.117 179.571 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.416 ' O ' ' HB2' ' A' ' 16' ' ' HIS . 0.8 OUTLIER -69.51 -46.82 65.64 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.202 179.272 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.446 ' HD2' ' CE1' ' B' ' 112' ' ' PHE . 0.4 OUTLIER -65.91 -25.05 66.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.139 179.193 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.915 ' CB ' HG11 ' B' ' 116' ' ' VAL . . . -78.7 -54.71 5.82 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 179.065 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.762 ' O ' HD12 ' A' ' 41' ' ' ILE . 0.4 OUTLIER -65.92 -27.34 68.12 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.681 179.342 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.416 ' HB2' ' O ' ' A' ' 12' ' ' GLN . 8.1 m80 -73.19 -45.51 55.93 Favored 'General case' 0 CA--C 1.52 -0.191 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 178.626 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.935 HD22 ' CE1' ' A' ' 21' ' ' TYR . 2.7 mt -60.92 -43.78 98.11 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.655 179.082 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.733 HD22 HG11 ' B' ' 92' ' ' VAL . 23.1 mt -58.94 -42.65 90.28 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.623 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.456 ' CG ' HG21 ' A' ' 41' ' ' ILE . 8.0 mt-10 -58.26 -44.02 88.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.195 0.521 . . . . 0.0 110.715 179.681 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -72.57 -31.6 65.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.035 179.453 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.935 ' CE1' HD22 ' A' ' 17' ' ' LEU . 10.7 m-30 -67.51 -47.68 69.27 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.521 179.757 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.452 ' HA ' HD12 ' A' ' 37' ' ' ILE . 2.7 ptm180 -60.19 -43.64 95.74 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 120.894 0.378 . . . . 0.0 110.612 179.593 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.6 t -57.37 -40.37 78.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.399 179.419 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.7 ptmt -96.9 3.9 51.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.566 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 1.07 HD12 HD11 ' A' ' 37' ' ' ILE . 0.1 OUTLIER -92.36 -66.87 0.89 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.88 0.371 . . . . 0.0 111.181 -179.852 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.467 ' HB3' ' HB2' ' A' ' 34' ' ' ARG . 2.9 p -60.45 -157.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.875 -179.483 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.422 ' OE1' ' NH1' ' A' ' 31' ' ' ARG . 1.8 mp0 59.72 25.4 14.38 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 120.822 0.344 . . . . 0.0 110.674 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.772 HG23 ' H ' ' A' ' 29' ' ' GLU . 3.5 t -147.87 -63.75 0.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.388 -179.568 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.772 ' H ' HG23 ' A' ' 28' ' ' THR . 12.6 pt-20 -170.4 27.87 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.607 -179.213 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.473 ' HB2' HD22 ' A' ' 25' ' ' LEU . 3.8 m-20 -146.73 53.11 1.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.035 0.445 . . . . 0.0 110.816 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.422 ' NH1' ' OE1' ' A' ' 27' ' ' GLN . 13.9 mmm180 -64.64 -47.77 77.28 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.214 0.53 . . . . 0.0 109.871 179.628 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.7 tp60 -58.23 -45.03 88.45 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.594 178.789 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.52 HD11 ' CB ' ' B' ' 95' ' ' SER . 8.1 tp -57.02 -34.07 67.81 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.823 178.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.467 ' HB2' ' HB3' ' A' ' 26' ' ' SER . 5.6 ttp180 -60.6 -43.0 97.91 Favored 'General case' 0 CA--C 1.518 -0.278 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 178.696 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.23 -38.27 79.59 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.407 179.08 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.508 ' HB2' ' NE2' ' B' ' 91' ' ' GLN . 27.8 p -62.07 -51.46 67.85 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.174 0.511 . . . . 0.0 110.431 179.474 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 1.07 HD11 HD12 ' A' ' 25' ' ' LEU . 37.8 mt -55.85 -42.88 72.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.273 179.399 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.37 -43.51 79.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.835 179.645 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.455 ' HB3' ' CB ' ' B' ' 88' ' ' ALA . 9.8 mtt180 -55.7 -49.07 74.0 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-O 121.261 0.553 . . . . 0.0 109.927 179.346 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.749 HG12 ' CD2' ' A' ' 44' ' ' PHE . 21.6 t -60.18 -33.81 54.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.662 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.762 HD12 ' O ' ' A' ' 15' ' ' LEU . 13.0 mm -70.06 -55.38 14.95 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.719 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.1 p -60.86 -49.28 78.11 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-O 120.922 0.391 . . . . 0.0 110.809 -179.177 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.556 HD13 ' HA ' ' B' ' 85' ' ' ALA . 11.1 mt -59.97 -32.28 49.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.079 179.358 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.776 ' CD1' HG23 ' A' ' 11' ' ' THR . 0.2 OUTLIER -72.51 -57.17 4.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.139 179.767 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.438 ' HG2' ' O ' ' A' ' 41' ' ' ILE . 19.5 pt20 -79.43 1.13 26.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.227 -178.229 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.451 ' CB ' ' CE1' ' B' ' 129' ' ' TYR . 0.1 OUTLIER -53.49 137.71 35.5 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.939 0.399 . . . . 0.0 110.78 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -56.36 -32.46 64.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.489 -179.552 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.864 ' O ' HD12 ' A' ' 48' ' ' LEU . 0.4 OUTLIER -79.73 -46.61 16.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.756 0.312 . . . . 0.0 111.09 -179.725 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.662 ' CE1' HD23 ' B' ' 126' ' ' LEU . 41.9 t80 -51.26 -53.5 34.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.598 -179.597 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -54.28 -40.86 68.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.821 0.344 . . . . 0.0 111.049 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.431 ' HB1' HG23 ' D' ' 132' ' ' ILE . . . -58.48 -45.1 89.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.057 0.456 . . . . 0.0 110.648 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.526 HD21 ' HB3' ' B' ' 128' ' ' LEU . 5.6 mt -61.94 -44.72 96.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.307 179.479 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.871 HG12 HD13 ' B' ' 125' ' ' LEU . 23.0 mt -51.46 -39.49 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.976 178.82 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -65.58 -39.53 91.74 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.104 179.157 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.682 HG22 ' HB2' ' A' ' 59' ' ' TYR . 4.9 mm -52.65 -40.85 35.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.842 179.502 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -50.28 -22.45 1.79 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.946 -179.687 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.421 ' O ' ' CG ' ' A' ' 58' ' ' PHE . 0.6 OUTLIER -44.66 -48.77 10.58 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.512 0.196 . . . . 0.0 111.525 -179.63 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.421 ' CG ' ' O ' ' A' ' 57' ' ' GLU . 66.0 m-85 -156.24 44.57 0.42 Allowed 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.949 0.404 . . . . 0.0 111.637 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.682 ' HB2' HG22 ' A' ' 55' ' ' ILE . 42.4 m-85 -139.68 67.35 1.38 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.642 179.388 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.418 ' HB2' ' HB ' ' C' ' 62' ' ' THR . 3.1 mt-10 -53.72 93.21 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.976 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.632 HG23 HG21 ' B' ' 124' ' ' THR . 0.0 OUTLIER -78.21 96.87 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.868 0.366 . . . . 0.0 111.101 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.428 ' HB ' ' HB2' ' C' ' 60' ' ' GLU . 11.7 m -78.12 120.09 22.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.394 179.716 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.81 HD11 ' CE2' ' C' ' 59' ' ' TYR . 0.8 OUTLIER -92.38 135.43 34.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.04 -179.876 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.753 HD23 ' N ' ' A' ' 64' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.078 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 82' ' ' LEU . . . . . 0.898 ' O ' HD12 ' B' ' 82' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.451 -0.381 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 83' ' ' LEU . . . . . 0.922 HD23 ' H ' ' B' ' 84' ' ' ALA . 0.0 OUTLIER -69.97 -55.49 9.49 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.046 -179.816 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 0.922 ' H ' HD23 ' B' ' 83' ' ' LEU . . . -64.34 -29.36 70.44 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.066 -0.515 . . . . 0.0 112.028 -178.094 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 85' ' ' ALA . . . . . 0.91 ' HB1' ' HB3' ' B' ' 126' ' ' LEU . . . -53.69 -24.67 15.31 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.914 0.388 . . . . 0.0 110.674 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -124.2 -45.29 1.98 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.011 -0.541 . . . . 0.0 109.788 178.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 87' ' ' ARG . . . . . 0.688 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 6.1 ttt-85 -57.69 -52.97 63.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.031 178.802 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 88' ' ' ALA . . . . . 0.738 ' HB3' ' O ' ' B' ' 84' ' ' ALA . . . -56.47 -43.83 79.98 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.32 -0.854 . . . . 0.0 111.193 -179.722 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 89' ' ' VAL . . . . . 0.49 ' CG1' ' HB3' ' B' ' 117' ' ' PHE . 21.5 t -59.25 -35.24 56.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.073 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 3.7 t -76.06 -29.66 58.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.813 -179.489 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 91' ' ' GLN . . . . . 0.617 ' NE2' ' HA ' ' B' ' 88' ' ' ALA . 11.7 mt-30 -66.45 -55.21 16.78 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-O 121.395 0.617 . . . . 0.0 109.511 179.597 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 92' ' ' VAL . . . . . 0.733 HG11 HD22 ' A' ' 18' ' ' LEU . 3.3 t -65.72 -28.31 43.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.278 179.246 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 93' ' ' LEU . . . . . 0.725 HD21 ' HA ' ' B' ' 114' ' ' HIS . 2.7 mt -67.09 -32.92 74.4 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.009 179.6 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -86.73 -39.49 15.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.762 0.315 . . . . 0.0 111.313 -179.625 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 95' ' ' SER . . . . . 0.52 ' CB ' HD11 ' A' ' 33' ' ' LEU . 0.8 OUTLIER -79.86 -17.88 52.11 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -179.293 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 96' ' ' LEU . . . . . 0.993 HD22 HD22 ' B' ' 110' ' ' LEU . 0.2 OUTLIER -39.47 -52.33 2.12 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -179.366 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 97' ' ' GLU . . . . . 0.405 ' HA ' ' CD1' ' B' ' 110' ' ' LEU . 70.4 mt-10 -68.33 -28.86 67.51 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.3 -179.466 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 98' ' ' GLU . . . . . 0.827 ' O ' ' HB3' ' B' ' 101' ' ' ALA . 0.1 OUTLIER -70.19 -34.4 72.89 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 177.966 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 99' ' ' ILE . . . . . 0.602 HG23 HG21 ' B' ' 103' ' ' THR . 62.1 mt -62.97 -49.97 81.48 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.822 0 CA-C-N 114.57 -1.195 . . . . 0.0 109.653 178.52 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 100' ' ' HIS . . . . . 0.745 ' HB2' HD11 ' B' ' 110' ' ' LEU . 0.2 OUTLIER -54.9 -34.39 63.04 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 178.08 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 101' ' ' ALA . . . . . 0.827 ' HB3' ' O ' ' B' ' 98' ' ' GLU . . . -56.21 -46.6 79.41 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 114.311 -1.313 . . . . 0.0 111.946 179.349 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 102' ' ' LEU . . . . . 0.661 HD12 HG23 ' B' ' 103' ' ' THR . 0.4 OUTLIER -117.43 30.28 7.39 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.516 -0.765 . . . . 0.0 112.72 -177.591 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 103' ' ' THR . . . . . 0.661 HG23 HD12 ' B' ' 102' ' ' LEU . 44.3 p -145.02 -31.12 0.42 Allowed 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 111.694 0.257 . . . . 0.0 111.694 179.707 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 3.0 t0 74.85 24.56 1.57 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.058 0.456 . . . . 0.0 110.511 -179.359 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 105' ' ' SER . . . . . 0.445 ' HB3' ' CZ ' ' A' ' 21' ' ' TYR . 4.0 m -62.31 -14.67 41.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.305 179.686 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 106' ' ' SER . . . . . 0.423 ' CB ' ' O ' ' B' ' 105' ' ' SER . 4.0 t 80.96 121.82 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.945 0.402 . . . . 0.0 110.968 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -54.15 -29.0 43.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.984 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 22.1 mmtm -56.72 -54.14 49.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.066 0.46 . . . . 0.0 110.354 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 109' ' ' ASP . . . . . 0.636 ' O ' HD12 ' B' ' 113' ' ' LEU . 1.2 m-20 -62.03 -37.61 85.57 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.958 179.125 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 110' ' ' LEU . . . . . 0.993 HD22 HD22 ' B' ' 96' ' ' LEU . 31.2 mt -61.83 -42.47 99.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.267 179.297 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -60.18 -43.27 96.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.573 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 112' ' ' PHE . . . . . 0.542 ' O ' HG23 ' B' ' 116' ' ' VAL . 0.4 OUTLIER -58.84 -42.61 89.69 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.374 179.635 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 113' ' ' LEU . . . . . 0.696 HD11 ' CD1' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -72.18 -33.61 67.8 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.793 -179.864 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 114' ' ' HIS . . . . . 0.962 ' CD2' HD12 ' B' ' 96' ' ' LEU . 36.2 m170 -58.09 -35.9 72.09 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 178.1 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 115' ' ' SER . . . . . 0.41 ' HA ' ' HB2' ' B' ' 118' ' ' GLN . 46.5 t -73.2 -40.13 65.01 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.034 178.852 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 116' ' ' VAL . . . . . 0.915 HG11 ' CB ' ' A' ' 14' ' ' ALA . 66.5 t -61.01 -23.21 29.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.727 178.492 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 117' ' ' PHE . . . . . 0.613 ' CZ ' HD11 ' A' ' 18' ' ' LEU . 6.2 m-30 -106.79 -17.23 14.27 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.684 -179.643 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 118' ' ' GLN . . . . . 0.624 HE22 ' HB3' ' B' ' 114' ' ' HIS . 0.0 OUTLIER -77.69 -30.49 51.92 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.716 0.294 . . . . 0.0 111.352 -179.471 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -48.27 139.06 9.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.918 0.39 . . . . 0.0 111.56 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 5.4 tm0? -80.28 -41.25 25.31 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.681 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 4.5 m170 -56.04 -34.3 65.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.471 179.522 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 122' ' ' LEU . . . . . 0.842 HD12 HD12 ' B' ' 125' ' ' LEU . 34.7 tp -56.2 -47.26 78.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.229 179.606 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 123' ' ' HIS . . . . . 0.996 ' HA ' HD12 ' B' ' 126' ' ' LEU . 0.3 OUTLIER -56.67 -23.79 44.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.192 179.058 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 124' ' ' THR . . . . . 0.682 HG23 HD11 ' A' ' 63' ' ' LEU . 6.3 m -74.85 -39.15 61.76 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 178.745 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 125' ' ' LEU . . . . . 0.871 HD13 HG12 ' A' ' 53' ' ' ILE . 6.6 mt -70.64 -33.87 71.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.508 178.494 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 126' ' ' LEU . . . . . 0.996 HD12 ' HA ' ' B' ' 123' ' ' HIS . 6.1 mt -73.45 -50.38 21.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.633 179.527 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 127' ' ' ASP . . . . . 0.405 ' HA ' ' OD2' ' B' ' 130' ' ' ASP . 6.1 t0 -63.2 -40.29 97.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.713 179.699 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 128' ' ' LEU . . . . . 0.858 HD21 ' CD2' ' C' ' 59' ' ' TYR . 46.6 mt -72.89 -33.63 66.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.008 179.452 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 129' ' ' TYR . . . . . 0.451 ' CE1' ' CB ' ' A' ' 46' ' ' SER . 11.4 t80 -56.04 -47.04 78.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.119 179.727 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 130' ' ' ASP . . . . . 0.866 ' OD1' HD22 ' B' ' 82' ' ' LEU . 2.8 p30 -74.79 -34.6 62.44 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.251 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.98 -54.24 45.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.443 -179.334 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 132' ' ' ILE . . . . . 0.887 HG23 ' HB1' ' C' ' 51' ' ' ALA . 1.6 mt -73.59 -37.24 49.43 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 CA-C-O 120.963 0.411 . . . . 0.0 110.765 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 133' ' ' ASN . . . . . 0.724 ' HB2' HD23 ' A' ' 48' ' ' LEU . 11.5 t-20 -68.03 -25.79 65.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.966 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 134' ' ' THR . . . . . 0.576 HG22 ' O ' ' B' ' 134' ' ' THR . 85.1 m -108.75 8.32 26.75 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.203 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 135' ' ' LYS . . . . . 0.452 ' HG3' ' N ' ' B' ' 136' ' ' SER . 0.0 OUTLIER -82.98 -55.04 4.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.909 0.385 . . . . 0.0 110.53 -179.842 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 136' ' ' SER . . . . . 0.452 ' N ' ' HG3' ' B' ' 135' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--N 1.327 -0.411 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.921 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 7' ' ' ARG . . . . . 0.454 ' O ' HG23 ' C' ' 11' ' ' THR . 14.4 ttm105 . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.94 -42.79 99.92 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 121.216 0.531 . . . . 0.0 109.661 178.886 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -75.59 -32.13 60.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.163 179.124 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -75.12 -29.91 60.68 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.388 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 11' ' ' THR . . . . . 0.454 HG23 ' O ' ' C' ' 7' ' ' ARG . 6.2 p -72.35 -47.98 45.35 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.352 179.635 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 12' ' ' GLN . . . . . 0.492 ' HA ' HD23 ' C' ' 15' ' ' LEU . 0.9 OUTLIER -63.78 -36.36 83.64 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 120.874 -0.331 . . . . 0.0 110.354 179.637 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 5.4 ttt180 -73.32 -25.89 60.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.082 179.128 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 14' ' ' ALA . . . . . 0.932 ' CB ' HG11 ' D' ' 116' ' ' VAL . . . -78.61 -54.94 5.59 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 178.792 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 15' ' ' LEU . . . . . 0.796 ' O ' HD12 ' C' ' 41' ' ' ILE . 0.3 OUTLIER -62.88 -28.68 70.21 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.82 179.371 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 16' ' ' HIS . . . . . . . . . . . . . 20.1 t60 -73.34 -44.26 59.14 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 178.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 17' ' ' LEU . . . . . 0.792 HD22 ' CE1' ' C' ' 21' ' ' TYR . 2.5 mt -61.89 -45.41 93.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.904 179.185 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 18' ' ' LEU . . . . . 0.753 ' HB3' HD11 ' C' ' 41' ' ' ILE . 10.5 mt -58.76 -40.39 83.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.41 179.528 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.54 -47.62 81.53 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.734 179.662 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -69.18 -32.71 72.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.831 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 21' ' ' TYR . . . . . 0.792 ' CE1' HD22 ' C' ' 17' ' ' LEU . 11.6 m-30 -65.35 -47.9 74.87 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.873 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 22' ' ' ARG . . . . . 0.503 ' HA ' HD12 ' C' ' 37' ' ' ILE . 4.1 ptm180 -59.98 -43.2 95.28 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-O 120.87 0.367 . . . . 0.0 110.608 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.26 -40.2 73.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.359 179.266 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 24' ' ' LYS . . . . . 0.478 ' O ' HG22 ' D' ' 103' ' ' THR . 6.9 ptmt -98.96 6.16 46.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.549 179.595 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 25' ' ' LEU . . . . . 0.95 HD12 HD11 ' C' ' 37' ' ' ILE . 0.4 OUTLIER -94.44 -67.76 0.84 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.931 0.396 . . . . 0.0 111.099 -179.841 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 26' ' ' SER . . . . . 0.419 ' HB3' ' HB2' ' C' ' 34' ' ' ARG . 1.6 p -59.79 -160.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.935 -179.462 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 27' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 59.28 30.05 19.72 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.567 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 28' ' ' THR . . . . . 0.671 HG23 ' H ' ' C' ' 29' ' ' GLU . 4.5 t -152.14 -59.3 0.15 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.99 -179.546 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 29' ' ' GLU . . . . . 0.671 ' H ' HG23 ' C' ' 28' ' ' THR . 18.4 pt-20 -176.67 28.36 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.263 -0.88 . . . . 0.0 111.305 -179.378 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -145.52 49.41 1.24 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.916 0.389 . . . . 0.0 111.007 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.23 -55.15 27.35 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.406 0.622 . . . . 0.0 110.562 179.735 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -52.95 -47.88 67.77 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.622 178.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 33' ' ' LEU . . . . . 0.604 HD11 ' CB ' ' D' ' 95' ' ' SER . 14.9 tp -55.95 -32.26 63.68 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.826 178.698 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 34' ' ' ARG . . . . . 0.419 ' HB2' ' HB3' ' C' ' 26' ' ' SER . 7.6 ttp180 -60.77 -43.12 98.44 Favored 'General case' 0 CA--C 1.518 -0.257 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 178.605 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 35' ' ' SER . . . . . 0.536 ' O ' ' HG3' ' C' ' 38' ' ' GLU . 3.5 t -60.99 -34.1 74.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.388 -0.823 . . . . 0.0 109.813 178.811 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 36' ' ' SER . . . . . 0.552 ' O ' ' HB2' ' C' ' 39' ' ' ARG . 0.9 OUTLIER -62.74 -46.07 89.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.638 179.431 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 37' ' ' ILE . . . . . 0.95 HD11 HD12 ' C' ' 25' ' ' LEU . 44.7 mt -60.02 -49.77 82.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.074 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 38' ' ' GLU . . . . . 0.536 ' HG3' ' O ' ' C' ' 35' ' ' SER . 6.2 pt-20 -58.74 -31.42 68.31 Favored 'General case' 0 CA--C 1.519 -0.234 0 N-CA-C 110.175 -0.306 . . . . 0.0 110.175 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 39' ' ' ARG . . . . . 0.552 ' HB2' ' O ' ' C' ' 36' ' ' SER . 7.1 mtt180 -57.04 -54.52 45.86 Favored 'General case' 0 CA--C 1.514 -0.413 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 178.061 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 40' ' ' VAL . . . . . 0.534 ' O ' ' HB2' ' C' ' 44' ' ' PHE . 41.2 t -60.76 -30.9 48.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 114.875 -1.057 . . . . 0.0 110.386 179.221 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 41' ' ' ILE . . . . . 0.796 HD12 ' O ' ' C' ' 15' ' ' LEU . 4.3 mm -68.82 -51.4 45.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.778 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 13.6 t -68.12 -47.03 69.27 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-O 120.823 0.344 . . . . 0.0 111.195 -179.124 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 43' ' ' ILE . . . . . . . . . . . . . 6.0 mt -59.64 -33.69 52.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.395 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 44' ' ' PHE . . . . . 0.744 ' HB3' HD22 ' C' ' 15' ' ' LEU . 2.8 m-85 -72.63 -57.18 4.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.982 -0.554 . . . . 0.0 112.019 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 45' ' ' GLN . . . . . 0.419 ' HG2' ' O ' ' C' ' 41' ' ' ILE . 18.4 pt20 -77.65 -2.97 38.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.263 -178.126 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.19 151.77 1.95 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.917 0.389 . . . . 0.0 111.309 -179.718 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.89 -39.41 90.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.107 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 48' ' ' LEU . . . . . 0.703 HD12 ' HA ' ' D' ' 129' ' ' TYR . 0.4 OUTLIER -71.63 -42.42 67.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.147 179.853 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 49' ' ' PHE . . . . . 0.635 ' HA ' HD11 ' C' ' 52' ' ' LEU . 12.1 t80 -50.71 -56.28 12.69 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.128 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -56.7 -22.71 36.97 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.981 0.42 . . . . 0.0 110.389 179.18 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 51' ' ' ALA . . . . . 0.887 ' HB1' HG23 ' B' ' 132' ' ' ILE . . . -68.16 -53.48 24.76 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.982 -0.553 . . . . 0.0 112.482 -179.33 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 52' ' ' LEU . . . . . 0.992 ' H ' HD13 ' C' ' 52' ' ' LEU . 0.0 OUTLIER -68.38 -30.5 69.45 Favored 'General case' 0 N--CA 1.461 0.111 0 C-N-CA 119.733 -0.787 . . . . 0.0 111.182 -179.406 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 53' ' ' ILE . . . . . 0.702 ' N ' HD22 ' C' ' 52' ' ' LEU . 23.5 mt -62.61 -43.48 98.54 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 178.786 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.84 -39.03 93.11 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.64 178.717 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 55' ' ' ILE . . . . . 0.61 HG22 ' HB2' ' C' ' 59' ' ' TYR . 71.3 mt -61.41 -45.36 98.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.338 179.166 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 56' ' ' GLN . . . . . 0.511 ' NE2' HD21 ' D' ' 125' ' ' LEU . 1.4 mt-30 -50.96 -23.25 2.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.554 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 57' ' ' GLU . . . . . 0.421 ' O ' ' CD2' ' C' ' 58' ' ' PHE . 6.2 mm-40 -44.48 -37.74 3.67 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 120.8 0.334 . . . . 0.0 111.393 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 58' ' ' PHE . . . . . 0.421 ' CD2' ' O ' ' C' ' 57' ' ' GLU . 74.3 m-85 -156.64 31.58 0.32 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.389 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 59' ' ' TYR . . . . . 0.858 ' CD2' HD21 ' B' ' 128' ' ' LEU . 19.6 m-85 -135.18 71.89 1.44 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.618 179.667 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 60' ' ' GLU . . . . . 0.428 ' HB2' ' HB ' ' A' ' 62' ' ' THR . 1.7 mm-40 -57.73 100.45 0.05 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.849 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 61' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -72.39 96.93 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 121.013 0.435 . . . . 0.0 110.724 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 62' ' ' THR . . . . . 0.427 HG22 ' O ' ' C' ' 62' ' ' THR . 16.3 m -83.24 87.94 6.94 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.008 -179.596 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 63' ' ' LEU . . . . . 0.638 HD12 ' CE1' ' A' ' 59' ' ' TYR . 1.1 tt -65.25 144.82 56.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.202 179.411 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 64' ' ' LEU . . . . . 0.607 ' N ' HD23 ' C' ' 64' ' ' LEU . 0.3 OUTLIER . . . . . 0 CA--C 1.532 0.268 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 -178.75 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 82' ' ' LEU . . . . . 0.827 ' O ' HD23 ' D' ' 82' ' ' LEU . 9.4 tt . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.771 0.319 . . . . 0.0 111.415 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 83' ' ' LEU . . . . . 0.956 HD23 ' H ' ' D' ' 84' ' ' ALA . 0.4 OUTLIER -81.98 -43.21 18.33 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-O 120.873 0.368 . . . . 0.0 111.056 -179.179 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D ' 84' ' ' ALA . . . . . 0.956 ' H ' HD23 ' D' ' 83' ' ' LEU . . . -70.14 -24.03 63.11 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.696 -179.302 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 85' ' ' ALA . . . . . 0.92 ' HB1' ' CB ' ' D' ' 126' ' ' LEU . . . -53.34 -27.25 22.44 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.204 0.526 . . . . 0.0 110.272 179.155 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 86' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -122.39 -41.51 2.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.529 -0.759 . . . . 0.0 109.713 178.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 87' ' ' ARG . . . . . 0.644 ' HB3' ' O ' ' D' ' 83' ' ' LEU . 17.3 ttt180 -62.01 -48.72 79.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.071 179.044 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 88' ' ' ALA . . . . . 0.771 ' HB3' ' O ' ' D' ' 84' ' ' ALA . . . -66.53 -42.5 87.14 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.116 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 89' ' ' VAL . . . . . 0.726 HG13 ' CD1' ' D' ' 117' ' ' PHE . 45.2 t -66.4 -41.99 89.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.02 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 12.1 t -75.54 -38.97 58.93 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.723 -179.591 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 91' ' ' GLN . . . . . 0.436 ' NE2' ' HA ' ' D' ' 88' ' ' ALA . 5.5 pt20 -67.61 -50.36 58.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.059 0.456 . . . . 0.0 109.932 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 92' ' ' VAL . . . . . 0.653 HG23 ' O ' ' D' ' 88' ' ' ALA . 44.0 t -65.45 -27.71 42.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.378 178.098 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 93' ' ' LEU . . . . . 0.652 HD21 ' HA ' ' D' ' 114' ' ' HIS . 2.1 mt -61.72 -45.69 92.86 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.197 179.409 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -76.22 -24.77 54.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.903 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 95' ' ' SER . . . . . 0.604 ' CB ' HD11 ' C' ' 33' ' ' LEU . 13.6 p -77.75 -28.27 50.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.583 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 96' ' ' LEU . . . . . 0.838 HD22 HD22 ' D' ' 110' ' ' LEU . 0.2 OUTLIER -38.36 -52.57 1.53 Allowed 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -179.218 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -70.14 -29.86 66.88 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.957 0.408 . . . . 0.0 111.151 -179.288 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 98' ' ' GLU . . . . . 0.821 ' O ' ' HB3' ' D' ' 101' ' ' ALA . 0.0 OUTLIER -69.63 -33.07 72.12 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 177.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D ' 99' ' ' ILE . . . . . 0.507 HG23 HG21 ' D' ' 103' ' ' THR . 47.3 mt -64.12 -49.41 81.5 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.834 0 CA-C-N 114.605 -1.179 . . . . 0.0 109.678 178.61 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 100' ' ' HIS . . . . . 0.865 ' HB2' HD11 ' D' ' 110' ' ' LEU . 0.2 OUTLIER -55.63 -33.17 63.77 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 178.057 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D ' 101' ' ' ALA . . . . . 0.821 ' HB3' ' O ' ' D' ' 98' ' ' GLU . . . -57.51 -46.57 83.63 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 114.403 -1.272 . . . . 0.0 111.949 179.345 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 102' ' ' LEU . . . . . 0.684 HD12 HG23 ' D' ' 103' ' ' THR . 0.4 OUTLIER -117.25 30.8 7.1 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -177.438 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D ' 103' ' ' THR . . . . . 0.684 HG23 HD12 ' D' ' 102' ' ' LEU . 37.9 p -147.33 -33.24 0.28 Allowed 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.85 -0.34 . . . . 0.0 111.453 179.422 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 68.26 28.6 6.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.936 0.398 . . . . 0.0 110.447 -179.59 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 105' ' ' SER . . . . . 0.421 ' HB3' ' CE1' ' C' ' 21' ' ' TYR . 12.2 m -52.19 -77.36 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.903 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 106' ' ' SER . . . . . . . . . . . . . 1.4 m 173.55 106.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.573 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -49.82 -37.97 32.72 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.882 0.372 . . . . 0.0 110.722 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.44 -45.94 81.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.857 179.161 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 109' ' ' ASP . . . . . 0.593 ' O ' HD12 ' D' ' 113' ' ' LEU . 5.4 m-20 -62.44 -37.3 85.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.88 179.121 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 110' ' ' LEU . . . . . 0.865 HD11 ' HB2' ' D' ' 100' ' ' HIS . 14.1 mt -59.04 -47.48 85.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.153 179.312 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 111' ' ' ASP . . . . . 0.465 ' HA ' ' HD2' ' D' ' 114' ' ' HIS . 2.3 m-20 -59.19 -40.32 85.35 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.749 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 112' ' ' PHE . . . . . 0.707 ' O ' HG23 ' D' ' 116' ' ' VAL . 2.8 t80 -58.51 -42.01 86.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.517 179.749 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 113' ' ' LEU . . . . . 0.682 ' HB2' HD11 ' D' ' 96' ' ' LEU . 0.5 OUTLIER -72.09 -32.1 66.71 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.006 -179.832 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D ' 114' ' ' HIS . . . . . 0.652 ' HA ' HD21 ' D' ' 93' ' ' LEU . 0.0 OUTLIER -59.7 -36.51 76.66 Favored 'General case' 0 CA--C 1.516 -0.332 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 178.427 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.25 -35.95 63.83 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 178.449 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 116' ' ' VAL . . . . . 0.932 HG11 ' CB ' ' C' ' 14' ' ' ALA . 72.7 t -61.79 -23.38 31.0 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.241 178.61 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 117' ' ' PHE . . . . . 0.726 ' CD1' HG13 ' D' ' 89' ' ' VAL . 38.6 m-85 -105.98 -28.65 10.43 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.412 -179.748 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 118' ' ' GLN . . . . . 0.509 ' NE2' ' ND1' ' D' ' 114' ' ' HIS . 0.0 OUTLIER -67.56 -28.41 67.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.37 -179.427 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -44.45 123.7 3.71 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.635 -179.604 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 120' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -64.54 -48.78 73.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.719 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 121' ' ' HIS . . . . . 0.404 ' O ' ' HG ' ' D' ' 125' ' ' LEU . 0.4 OUTLIER -55.9 -34.3 65.43 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.681 179.684 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D ' 122' ' ' LEU . . . . . 0.857 HD22 ' O ' ' D' ' 116' ' ' VAL . 36.6 tp -56.0 -47.95 76.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.31 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 123' ' ' HIS . . . . . 0.662 ' HA ' HD12 ' D' ' 126' ' ' LEU . 12.8 m170 -53.88 -26.36 24.44 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.059 0.457 . . . . 0.0 110.139 178.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 124' ' ' THR . . . . . 0.532 HG22 HD11 ' D' ' 128' ' ' LEU . 10.5 m -78.51 -30.49 47.16 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.526 178.843 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 125' ' ' LEU . . . . . 0.794 HD12 HD12 ' D' ' 122' ' ' LEU . 62.5 mt -66.45 -47.16 74.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.179 -0.919 . . . . 0.0 111.133 179.7 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 126' ' ' LEU . . . . . 0.92 ' CB ' ' HB1' ' D' ' 85' ' ' ALA . 0.1 OUTLIER -73.11 -37.58 66.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.902 0.382 . . . . 0.0 110.797 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D ' 127' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -58.99 -49.77 76.62 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.103 0.478 . . . . 0.0 110.182 179.377 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 128' ' ' LEU . . . . . 0.663 HD21 ' CE1' ' A' ' 59' ' ' TYR . 12.4 mt -71.0 -28.81 64.69 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.11 179.118 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 129' ' ' TYR . . . . . 0.703 ' HA ' HD12 ' C' ' 48' ' ' LEU . 13.1 t80 -54.87 -52.93 61.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.911 -179.383 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 130' ' ' ASP . . . . . 0.448 ' OD2' ' HB2' ' D' ' 82' ' ' LEU . 4.0 t70 -77.51 -31.27 53.37 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.08 179.137 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.68 -51.99 63.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.081 -179.459 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 132' ' ' ILE . . . . . 0.431 HG23 ' HB1' ' A' ' 51' ' ' ALA . 3.1 mt -78.57 -38.44 22.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.968 0.414 . . . . 0.0 111.149 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 133' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.367 -179.395 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.237 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.0 tttm -64.13 -37.82 88.85 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 121.111 0.481 . . . . 0.0 109.739 179.344 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 17.0 mm100 -77.46 -27.21 51.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.099 178.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.461 ' HB3' HG22 ' B' ' 116' ' ' VAL . 12.7 m-20 -79.25 -33.07 43.9 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.487 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.4 p -74.85 -40.36 61.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.568 179.682 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.463 ' HA ' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -70.98 -36.55 72.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.167 179.341 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.85 -26.4 60.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.864 179.03 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.943 ' CB ' HG11 ' B' ' 116' ' ' VAL . . . -78.41 -54.73 5.86 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 178.788 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.722 HD22 ' HB3' ' A' ' 44' ' ' PHE . 0.3 OUTLIER -61.11 -25.18 66.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.478 179.052 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.9 m170 -73.42 -47.02 45.06 Favored 'General case' 0 CA--C 1.518 -0.25 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 178.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.933 HD22 ' CE1' ' A' ' 21' ' ' TYR . 3.5 mt -62.34 -33.43 74.69 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.635 -0.712 . . . . 0.0 109.564 178.817 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.857 ' CD2' HG11 ' B' ' 92' ' ' VAL . 27.5 mt -63.84 -50.19 69.87 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.024 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.418 ' O ' ' HG2' ' A' ' 22' ' ' ARG . 0.2 OUTLIER -61.35 -34.32 75.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.146 -179.815 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.423 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 0.5 OUTLIER -74.38 -41.38 61.07 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.243 179.821 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.933 ' CE1' HD22 ' A' ' 17' ' ' LEU . 10.2 m-30 -65.31 -49.26 70.14 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.188 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.432 ' HG3' ' N ' ' A' ' 23' ' ' SER . 3.4 ptm180 -55.85 -40.76 73.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.961 0.41 . . . . 0.0 110.441 179.248 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.432 ' N ' ' HG3' ' A' ' 22' ' ' ARG . 0.2 OUTLIER -61.33 -34.24 74.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.684 179.457 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -115.4 21.58 13.95 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.879 0.371 . . . . 0.0 111.536 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.717 ' CD1' HD11 ' A' ' 37' ' ' ILE . 0.0 OUTLIER -112.18 -53.5 2.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.9 -179.77 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.539 ' CB ' ' HB2' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -71.94 -19.26 61.93 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.999 -178.929 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.438 ' OE1' ' NH1' ' A' ' 31' ' ' ARG . 0.2 OUTLIER -72.71 58.0 0.43 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.919 0.39 . . . . 0.0 110.784 -179.68 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.622 HG23 ' N ' ' A' ' 29' ' ' GLU . 8.5 t -175.8 -57.21 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.682 -179.744 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.622 ' N ' HG23 ' A' ' 28' ' ' THR . 16.8 pt-20 -173.19 29.33 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.907 -179.123 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.466 ' O ' ' HB2' ' A' ' 26' ' ' SER . 1.2 m-20 -139.13 44.56 2.01 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.938 0.399 . . . . 0.0 111.41 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.494 ' HA ' ' HB2' ' A' ' 26' ' ' SER . 17.0 mmm180 -54.55 -53.14 58.39 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 121.135 0.493 . . . . 0.0 110.671 179.726 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -55.62 -41.89 74.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.969 179.252 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.454 HD11 ' CB ' ' B' ' 95' ' ' SER . 4.2 tp -57.31 -32.63 66.87 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.245 179.147 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.582 ' HA ' HD12 ' A' ' 37' ' ' ILE . 4.2 ttp180 -63.37 -47.68 81.07 Favored 'General case' 0 CA--C 1.515 -0.38 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 178.592 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.2 m -54.71 -36.5 64.78 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.844 -1.071 . . . . 0.0 111.073 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.524 ' HB3' ' NE2' ' B' ' 91' ' ' GLN . 1.0 OUTLIER -70.57 -48.24 56.26 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.981 0.42 . . . . 0.0 110.105 179.507 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.72 HG23 HD22 ' A' ' 18' ' ' LEU . 9.1 mt -60.61 -36.45 70.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.302 0.572 . . . . 0.0 109.823 178.64 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.402 ' HG2' ' NE ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -64.82 -52.18 58.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.006 -0.997 . . . . 0.0 112.168 -179.334 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.428 ' HG2' ' O ' ' A' ' 36' ' ' SER . 5.9 ptp180 -55.76 -38.57 70.03 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.527 -0.469 . . . . 0.0 109.937 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.518 HG12 ' CD1' ' A' ' 44' ' ' PHE . 95.5 t -61.98 -41.61 91.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 178.3 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.689 HD12 ' O ' ' A' ' 15' ' ' LEU . 9.7 mm -54.8 -54.72 20.55 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.481 179.595 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 18.5 p -60.86 -47.84 84.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.854 0.359 . . . . 0.0 110.724 -179.486 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.737 HG23 ' CE2' ' B' ' 129' ' ' TYR . 13.2 mt -59.68 -34.82 56.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.082 179.17 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.722 ' HB3' HD22 ' A' ' 15' ' ' LEU . 1.5 m-85 -72.43 -56.69 5.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.928 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -79.88 -1.36 38.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.752 -178.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.489 ' CB ' ' CE1' ' B' ' 129' ' ' TYR . 0.4 OUTLIER -49.19 136.73 14.76 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.828 0.347 . . . . 0.0 111.086 -179.893 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -55.52 -34.46 64.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.108 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.764 ' O ' HD12 ' A' ' 48' ' ' LEU . 2.0 tp -79.48 -45.04 20.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.959 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.609 ' CE1' HD23 ' B' ' 126' ' ' LEU . 55.0 t80 -51.04 -52.24 45.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.157 -179.635 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.25 -34.95 71.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.901 0.381 . . . . 0.0 110.507 179.702 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' A' ' 48' ' ' LEU . . . -59.72 -46.21 89.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.682 179.622 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.434 HD13 ' O ' ' B' ' 125' ' ' LEU . 3.5 mt -61.34 -44.85 96.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.289 179.536 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.803 HG12 HD13 ' B' ' 125' ' ' LEU . 56.3 mt -53.46 -40.27 40.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.665 179.505 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.99 -41.26 91.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.46 179.577 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.766 HG22 ' HB2' ' A' ' 59' ' ' TYR . 55.5 mt -58.77 -34.05 50.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.873 179.643 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -54.03 -20.98 7.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.843 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.411 ' O ' ' CG ' ' A' ' 58' ' ' PHE . 0.2 OUTLIER -46.7 -38.18 9.48 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-O 120.655 0.264 . . . . 0.0 111.493 -179.729 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.411 ' CG ' ' O ' ' A' ' 57' ' ' GLU . 94.5 m-85 -157.52 38.8 0.28 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.65 -179.69 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.915 ' CD2' HD21 ' D' ' 128' ' ' LEU . 57.4 m-85 -139.16 75.42 1.51 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.747 179.653 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.433 ' HG3' HD22 ' C' ' 64' ' ' LEU . 2.8 mt-10 -65.37 90.72 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.662 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.648 HG23 HG21 ' B' ' 124' ' ' THR . 0.0 OUTLIER -72.62 104.51 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.958 0.409 . . . . 0.0 111.015 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.2 m -88.86 107.81 19.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.652 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.529 HD12 HG23 ' B' ' 124' ' ' THR . 0.1 OUTLIER -77.1 142.09 39.93 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.49 179.689 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.697 HD23 ' N ' ' A' ' 64' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.346 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -179.609 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 82' ' ' LEU . . . . . 0.834 HD23 ' N ' ' B' ' 82' ' ' LEU . 0.3 OUTLIER . . . . . 0 CA--C 1.521 -0.142 0 CA-C-O 121.543 0.687 . . . . 0.0 109.894 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 83' ' ' LEU . . . . . 1.147 HD23 ' H ' ' B' ' 84' ' ' ALA . 0.0 OUTLIER -50.33 -57.42 7.94 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 114.858 -1.064 . . . . 0.0 112.458 -178.537 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 1.147 ' H ' HD23 ' B' ' 83' ' ' LEU . . . -69.37 -26.46 64.68 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.789 -178.549 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 85' ' ' ALA . . . . . 0.934 ' HB1' ' HB3' ' B' ' 126' ' ' LEU . . . -53.12 -25.36 12.93 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.073 0.463 . . . . 0.0 110.245 179.682 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.36 -44.51 1.71 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.02 178.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 87' ' ' ARG . . . . . 0.806 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 9.5 ttt85 -57.67 -48.44 79.49 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.092 179.045 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 88' ' ' ALA . . . . . 0.724 ' HB3' ' O ' ' B' ' 84' ' ' ALA . . . -57.44 -47.77 80.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.24 -179.485 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 89' ' ' VAL . . . . . 0.502 HG12 ' HB3' ' B' ' 117' ' ' PHE . 31.3 t -62.94 -29.77 47.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.825 179.562 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.18 -25.88 55.63 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.214 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 91' ' ' GLN . . . . . 0.603 ' HG3' ' O ' ' B' ' 87' ' ' ARG . 1.8 mt-30 -72.19 -50.04 30.78 Favored 'General case' 0 CA--C 1.517 -0.326 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 179.387 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 92' ' ' VAL . . . . . 0.857 HG11 ' CD2' ' A' ' 18' ' ' LEU . 2.7 t -68.27 -27.92 38.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.971 178.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 93' ' ' LEU . . . . . 0.721 HD21 ' HA ' ' B' ' 114' ' ' HIS . 3.5 mt -67.91 -39.14 83.61 Favored 'General case' 0 C--O 1.231 0.096 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.166 179.581 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -79.25 -33.16 43.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.017 0.437 . . . . 0.0 110.638 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 95' ' ' SER . . . . . 0.454 ' CB ' HD11 ' A' ' 33' ' ' LEU . 0.5 OUTLIER -79.15 -20.4 48.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.273 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 96' ' ' LEU . . . . . 0.867 HD13 ' HB3' ' B' ' 110' ' ' LEU . 0.1 OUTLIER -38.2 -52.15 1.46 Allowed 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -179.552 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -68.17 -31.06 70.34 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 -179.188 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 98' ' ' GLU . . . . . 0.761 ' O ' ' HB3' ' B' ' 101' ' ' ALA . 0.0 OUTLIER -69.92 -35.75 74.8 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.12 -1.066 . . . . 0.0 108.12 178.111 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 99' ' ' ILE . . . . . 0.506 HG12 ' CD1' ' A' ' 25' ' ' LEU . 34.7 mt -59.25 -47.69 89.51 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.705 0 CA-C-N 114.481 -1.236 . . . . 0.0 109.844 178.519 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 100' ' ' HIS . . . . . 0.863 ' HB2' HD11 ' B' ' 110' ' ' LEU . 0.9 OUTLIER -56.04 -41.18 74.62 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-O 122.025 0.917 . . . . 0.0 108.594 178.01 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 101' ' ' ALA . . . . . 0.761 ' HB3' ' O ' ' B' ' 98' ' ' GLU . . . -51.04 -41.79 60.09 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 113.966 -1.47 . . . . 0.0 111.826 179.368 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 102' ' ' LEU . . . . . 0.65 HD13 HD23 ' A' ' 25' ' ' LEU . 0.4 OUTLIER -122.91 35.71 4.82 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 -177.436 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 103' ' ' THR . . . . . 0.628 HG23 HD12 ' B' ' 102' ' ' LEU . 43.7 p -153.5 -35.45 0.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.762 179.395 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 24.4 t0 74.01 27.35 1.62 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.066 0.46 . . . . 0.0 110.333 -179.318 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 105' ' ' SER . . . . . 0.413 ' O ' ' CB ' ' B' ' 106' ' ' SER . 4.0 m -60.27 -16.02 30.25 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.471 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 106' ' ' SER . . . . . 0.413 ' CB ' ' O ' ' B' ' 105' ' ' SER . 0.7 OUTLIER 80.03 127.74 0.05 OUTLIER 'General case' 0 C--O 1.232 0.167 0 CA-C-O 120.871 0.367 . . . . 0.0 110.691 -179.786 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 107' ' ' GLU . . . . . 0.756 ' HA ' HD12 ' B' ' 110' ' ' LEU . 0.3 OUTLIER -56.34 -22.53 31.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.262 -179.746 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.95 -55.23 35.43 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.016 0.436 . . . . 0.0 110.171 179.587 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 109' ' ' ASP . . . . . 0.608 ' O ' HD12 ' B' ' 113' ' ' LEU . 28.9 m-20 -63.39 -39.81 95.51 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.644 178.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 110' ' ' LEU . . . . . 0.867 ' HB3' HD13 ' B' ' 96' ' ' LEU . 59.6 mt -60.52 -41.05 93.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.272 179.233 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 111' ' ' ASP . . . . . 0.49 ' HA ' ' HD2' ' B' ' 114' ' ' HIS . 16.2 t70 -61.24 -44.98 96.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.914 -179.555 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 112' ' ' PHE . . . . . 0.688 ' O ' HG23 ' B' ' 116' ' ' VAL . 5.6 t80 -58.69 -39.86 81.94 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.628 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 113' ' ' LEU . . . . . 0.714 HD11 ' CD1' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -75.35 -27.97 59.41 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.055 -179.737 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 114' ' ' HIS . . . . . 0.721 ' HA ' HD21 ' B' ' 93' ' ' LEU . 0.0 OUTLIER -64.41 -35.84 82.2 Favored 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 178.386 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 3.4 m -75.7 -36.91 59.89 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 178.627 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 116' ' ' VAL . . . . . 0.943 HG11 ' CB ' ' A' ' 14' ' ' ALA . 54.5 t -63.76 -23.48 33.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.83 178.46 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 117' ' ' PHE . . . . . 0.599 ' CZ ' HD11 ' A' ' 18' ' ' LEU . 20.9 m-85 -101.11 -31.95 10.81 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.365 -179.744 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 118' ' ' GLN . . . . . 0.5 ' NE2' ' ND1' ' B' ' 114' ' ' HIS . 0.0 OUTLIER -67.65 -28.13 67.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.456 -179.329 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -44.02 114.94 0.74 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.697 -179.436 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.85 -44.99 95.72 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.54 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 30.9 m80 -56.46 -34.36 66.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.479 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 122' ' ' LEU . . . . . 0.872 HD12 HD12 ' B' ' 125' ' ' LEU . 37.5 tp -56.1 -48.47 76.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.304 179.658 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 123' ' ' HIS . . . . . 0.988 ' HA ' HD12 ' B' ' 126' ' ' LEU . 50.6 m170 -53.6 -27.26 25.73 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.88 178.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 124' ' ' THR . . . . . 0.648 HG21 HG23 ' A' ' 61' ' ' VAL . 1.7 m -73.84 -37.22 64.88 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.335 178.675 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 125' ' ' LEU . . . . . 0.872 HD12 HD12 ' B' ' 122' ' ' LEU . 3.1 mt -73.01 -32.4 65.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.586 178.627 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 126' ' ' LEU . . . . . 0.988 HD12 ' HA ' ' B' ' 123' ' ' HIS . 5.1 mt -72.99 -46.53 51.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.143 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.74 -49.97 64.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.085 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 128' ' ' LEU . . . . . 0.894 HD21 ' CD2' ' C' ' 59' ' ' TYR . 32.8 mt -60.87 -37.9 83.73 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.564 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 129' ' ' TYR . . . . . 0.737 ' CE2' HG23 ' A' ' 43' ' ' ILE . 0.5 OUTLIER -59.51 -50.9 72.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.079 -179.673 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 130' ' ' ASP . . . . . 0.857 ' OD2' ' HB2' ' B' ' 85' ' ' ALA . 27.7 m-20 -75.36 -17.23 60.28 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.687 -179.433 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.22 -52.08 11.77 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.722 0.296 . . . . 0.0 110.8 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 132' ' ' ILE . . . . . 0.693 HD12 ' O ' ' B' ' 128' ' ' LEU . 2.5 mt -71.16 -35.52 58.78 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 CA-C-O 120.925 0.393 . . . . 0.0 110.546 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 133' ' ' ASN . . . . . 0.469 ' HB2' HD23 ' A' ' 48' ' ' LEU . 62.3 t30 -60.84 -25.1 66.38 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.977 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 54.5 m -84.43 -26.32 28.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.698 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 135' ' ' LYS . . . . . 0.47 ' HG2' ' HB2' ' C' ' 51' ' ' ALA . 0.0 OUTLIER -92.31 -30.71 15.69 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.501 179.932 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 19.3 m . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.101 -179.826 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.232 0 CA-C-O 120.527 0.203 . . . . 0.0 110.48 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 8' ' ' LYS . . . . . 0.443 ' HG2' HG21 ' C' ' 53' ' ' ILE . 17.1 mttt -66.65 -36.9 83.66 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 121.24 0.543 . . . . 0.0 109.589 178.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -78.13 -28.32 48.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.905 178.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -80.82 -30.71 35.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.198 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 3.1 p -73.08 -42.25 63.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.19 179.534 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 12' ' ' GLN . . . . . 0.459 ' HA ' HD23 ' C' ' 15' ' ' LEU . 0.3 OUTLIER -68.22 -43.39 78.07 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.063 179.265 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 2.9 ttp180 -67.33 -25.58 66.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.987 179.009 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 14' ' ' ALA . . . . . 0.78 ' CB ' HG11 ' D' ' 116' ' ' VAL . . . -78.49 -55.24 5.37 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 121.234 0.54 . . . . 0.0 109.685 178.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 15' ' ' LEU . . . . . 0.761 HD22 ' HB3' ' C' ' 44' ' ' PHE . 0.3 OUTLIER -63.06 -29.14 70.58 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.701 179.152 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 16' ' ' HIS . . . . . . . . . . . . . 31.6 t60 -71.13 -46.49 61.5 Favored 'General case' 0 CA--C 1.518 -0.267 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 178.6 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 17' ' ' LEU . . . . . 0.71 ' CD1' HD11 ' D' ' 113' ' ' LEU . 1.9 mt -60.64 -36.32 78.36 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.187 178.386 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 18' ' ' LEU . . . . . 0.934 ' CD2' HG11 ' D' ' 92' ' ' VAL . 39.0 mt -59.01 -45.54 90.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 114.98 -1.009 . . . . 0.0 110.428 179.44 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 19' ' ' GLU . . . . . 0.407 ' O ' ' HG2' ' C' ' 22' ' ' ARG . 2.6 mt-10 -59.4 -42.66 92.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.18 0.514 . . . . 0.0 110.694 179.681 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.1 -36.36 72.17 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.051 179.53 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 21' ' ' TYR . . . . . 0.613 ' CZ ' HD22 ' C' ' 17' ' ' LEU . 11.4 m-30 -66.28 -46.12 78.11 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.815 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 22' ' ' ARG . . . . . 0.523 ' HA ' HD12 ' C' ' 37' ' ' ILE . 0.2 OUTLIER -60.41 -38.65 84.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.913 0.387 . . . . 0.0 110.487 179.551 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 24.4 p -58.44 -48.18 81.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.037 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 24' ' ' LYS . . . . . 0.454 ' HG2' ' H ' ' C' ' 24' ' ' LYS . 2.8 ptpt -80.3 -32.1 38.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.006 0.431 . . . . 0.0 111.382 -179.767 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 25' ' ' LEU . . . . . 0.795 HD12 HD11 ' C' ' 37' ' ' ILE . 0.5 OUTLIER -61.07 -74.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.396 -179.223 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 26' ' ' SER . . . . . 0.492 ' HB2' ' HB2' ' C' ' 34' ' ' ARG . 30.2 t -62.21 -147.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.789 -179.42 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 27' ' ' GLN . . . . . 0.408 ' OE1' ' NH1' ' C' ' 31' ' ' ARG . 0.0 OUTLIER 47.96 27.41 1.17 Allowed 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 120.982 0.42 . . . . 0.0 110.311 -179.467 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 28' ' ' THR . . . . . 0.455 ' CG2' ' N ' ' C' ' 29' ' ' GLU . 2.2 t -153.33 -49.54 0.1 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.766 -179.755 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 29' ' ' GLU . . . . . 0.455 ' N ' ' CG2' ' C' ' 28' ' ' THR . 8.9 pt-20 -177.15 26.73 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.828 -0.623 . . . . 0.0 111.693 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 30' ' ' ASP . . . . . 0.536 ' CB ' HD22 ' C' ' 25' ' ' LEU . 0.9 OUTLIER -143.9 59.65 1.37 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.163 0.506 . . . . 0.0 111.076 -179.773 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 31' ' ' ARG . . . . . 0.408 ' NH1' ' OE1' ' C' ' 27' ' ' GLN . 16.0 mmm180 -67.29 -53.06 33.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.382 179.551 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.81 -51.54 69.57 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.774 179.037 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 33' ' ' LEU . . . . . 0.48 HD11 ' CB ' ' D' ' 95' ' ' SER . 11.9 tp -51.49 -34.35 35.37 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.026 178.821 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 34' ' ' ARG . . . . . 0.492 ' HB2' ' HB2' ' C' ' 26' ' ' SER . 7.6 ttp180 -60.6 -48.39 81.98 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.362 178.717 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 35' ' ' SER . . . . . 0.402 ' O ' ' HG2' ' C' ' 39' ' ' ARG . 5.9 m -55.01 -33.57 62.72 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.379 179.296 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 36' ' ' SER . . . . . 0.506 ' O ' ' HG2' ' C' ' 39' ' ' ARG . 4.3 m -65.75 -50.39 64.94 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-O 121.027 0.441 . . . . 0.0 110.579 179.512 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 37' ' ' ILE . . . . . 0.795 HD11 HD12 ' C' ' 25' ' ' LEU . 33.9 mt -59.96 -38.2 75.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.202 0.525 . . . . 0.0 109.728 178.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 38' ' ' GLU . . . . . 0.406 ' HA ' HG12 ' C' ' 41' ' ' ILE . 17.4 mt-10 -63.14 -52.01 64.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.939 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 39' ' ' ARG . . . . . 0.605 ' HG3' ' HB1' ' D' ' 88' ' ' ALA . 3.3 ptp180 -55.09 -40.07 70.02 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.232 -179.639 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 40' ' ' VAL . . . . . 0.516 HG12 ' CD1' ' C' ' 44' ' ' PHE . 93.9 t -61.26 -39.91 84.23 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 178.044 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 41' ' ' ILE . . . . . 0.706 HD11 ' HB3' ' C' ' 18' ' ' LEU . 14.0 mm -54.62 -59.05 2.53 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.286 179.526 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 17.1 t -58.98 -46.7 87.46 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.947 0.403 . . . . 0.0 110.739 -179.52 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 43' ' ' ILE . . . . . 0.627 HD11 ' HB3' ' D' ' 84' ' ' ALA . 13.1 mt -60.06 -34.46 56.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.148 179.36 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 44' ' ' PHE . . . . . 0.761 ' HB3' HD22 ' C' ' 15' ' ' LEU . 1.3 m-85 -72.26 -57.39 4.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.418 179.706 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 45' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -77.62 -2.64 36.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.578 -179.201 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 46' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -46.91 137.39 7.36 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-O 120.947 0.403 . . . . 0.0 111.307 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -59.51 -34.13 72.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.045 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 48' ' ' LEU . . . . . 0.818 HD21 ' HB ' ' D' ' 132' ' ' ILE . 0.6 OUTLIER -79.45 -47.99 14.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.683 179.927 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 49' ' ' PHE . . . . . 0.652 ' CE1' HD23 ' D' ' 126' ' ' LEU . 54.7 t80 -51.53 -55.93 16.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.276 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 49.9 mm-40 -57.01 -37.2 71.35 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.95 0.405 . . . . 0.0 110.712 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 51' ' ' ALA . . . . . 0.47 ' HB2' ' HG2' ' B' ' 135' ' ' LYS . . . -58.48 -42.3 87.19 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.424 179.524 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 52' ' ' LEU . . . . . 0.445 ' CD2' HD13 ' D' ' 128' ' ' LEU . 1.8 mt -63.03 -44.18 96.64 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 121.21 0.528 . . . . 0.0 110.073 179.14 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 53' ' ' ILE . . . . . 0.774 HG12 HD13 ' D' ' 125' ' ' LEU . 20.7 mt -54.77 -34.84 31.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.446 179.317 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -70.37 -40.45 73.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.256 179.099 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 55' ' ' ILE . . . . . 0.812 HG22 ' HB2' ' C' ' 59' ' ' TYR . 79.0 mt -57.58 -41.0 78.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.726 179.446 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 56' ' ' GLN . . . . . 0.687 ' NE2' HD21 ' D' ' 125' ' ' LEU . 1.5 tt0 -52.41 -23.86 6.76 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.691 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 57' ' ' GLU . . . . . 0.407 ' O ' ' CD2' ' C' ' 58' ' ' PHE . 77.2 mt-10 -47.84 -30.98 4.5 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.278 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 58' ' ' PHE . . . . . 0.421 ' CA ' ' HG ' ' A' ' 64' ' ' LEU . 63.6 m-85 -158.11 32.6 0.25 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.531 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 59' ' ' TYR . . . . . 0.894 ' CD2' HD21 ' B' ' 128' ' ' LEU . 39.8 m-85 -140.93 89.02 2.22 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.598 179.619 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -73.39 94.15 2.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.683 0.278 . . . . 0.0 110.951 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 61' ' ' VAL . . . . . 0.53 HG23 HG21 ' D' ' 124' ' ' THR . 0.0 OUTLIER -72.89 98.91 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-O 120.921 0.391 . . . . 0.0 110.877 179.811 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 62' ' ' THR . . . . . 0.422 ' O ' HD23 ' C' ' 64' ' ' LEU . 1.7 m -84.6 106.76 16.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.723 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 63' ' ' LEU . . . . . 0.461 HD11 ' OH ' ' A' ' 59' ' ' TYR . 0.2 OUTLIER -81.45 128.43 33.87 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.582 179.733 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 64' ' ' LEU . . . . . 0.707 ' N ' HD23 ' C' ' 64' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.327 -0.392 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.084 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 82' ' ' LEU . . . . . 0.624 ' HA ' ' CG ' ' D' ' 130' ' ' ASP . 5.5 tt . . . . . 0 N--CA 1.451 -0.393 0 CA-C-O 120.834 0.35 . . . . 0.0 111.104 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 83' ' ' LEU . . . . . 0.871 HD23 ' H ' ' D' ' 84' ' ' ALA . 0.0 OUTLIER -67.92 -54.89 15.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.111 0.482 . . . . 0.0 110.811 -179.845 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D ' 84' ' ' ALA . . . . . 0.871 ' H ' HD23 ' D' ' 83' ' ' LEU . . . -68.94 -23.67 64.18 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.276 -0.875 . . . . 0.0 112.008 -178.586 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 85' ' ' ALA . . . . . 0.804 ' HB1' ' HB3' ' D' ' 126' ' ' LEU . . . -52.74 -22.63 5.47 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.163 179.319 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 86' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -129.24 -44.94 1.25 Allowed 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.914 178.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 87' ' ' ARG . . . . . 0.682 ' HB3' ' O ' ' D' ' 83' ' ' LEU . 11.5 ttt85 -58.01 -43.24 86.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.41 179.193 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 88' ' ' ALA . . . . . 0.747 ' HB2' ' HB1' ' D' ' 84' ' ' ALA . . . -59.41 -49.6 77.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.444 -179.526 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 89' ' ' VAL . . . . . 0.803 HG13 ' CD1' ' D' ' 117' ' ' PHE . 44.3 t -63.87 -52.39 57.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.049 -179.698 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 3.5 t -54.76 -27.22 39.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.142 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 91' ' ' GLN . . . . . 0.494 ' NE2' ' HG2' ' D' ' 87' ' ' ARG . 26.2 mt-30 -70.4 -56.97 5.38 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-O 121.247 0.546 . . . . 0.0 110.059 179.75 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 92' ' ' VAL . . . . . 0.934 HG11 ' CD2' ' C' ' 18' ' ' LEU . 4.2 t -66.03 -28.11 42.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.307 179.533 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 93' ' ' LEU . . . . . 0.782 HD21 ' HA ' ' D' ' 114' ' ' HIS . 1.3 mt -69.6 -34.84 74.67 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.404 179.735 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -84.75 -37.84 20.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.923 0.392 . . . . 0.0 111.037 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 95' ' ' SER . . . . . 0.48 ' CB ' HD11 ' C' ' 33' ' ' LEU . 0.6 OUTLIER -79.96 -20.8 44.71 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.991 -179.593 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D ' 96' ' ' LEU . . . . . 0.846 HD13 ' HB3' ' D' ' 110' ' ' LEU . 0.1 OUTLIER -36.53 -52.31 0.86 Allowed 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 -179.224 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -67.39 -31.17 71.21 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.947 0.403 . . . . 0.0 110.921 -179.261 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 98' ' ' GLU . . . . . 0.799 ' O ' ' HB3' ' D' ' 101' ' ' ALA . 0.0 OUTLIER -68.31 -35.19 77.44 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 177.443 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D ' 99' ' ' ILE . . . . . 0.616 ' HB ' ' O ' ' D' ' 96' ' ' LEU . 6.0 mt -58.36 -49.45 81.96 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.711 0 CA-C-N 114.292 -1.322 . . . . 0.0 110.231 178.544 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 100' ' ' HIS . . . . . 0.744 ' HB2' HD11 ' D' ' 110' ' ' LEU . 1.0 OUTLIER -56.21 -39.41 72.42 Favored 'General case' 0 CA--C 1.515 -0.393 0 CA-C-O 121.977 0.894 . . . . 0.0 108.704 178.456 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D ' 101' ' ' ALA . . . . . 0.799 ' HB3' ' O ' ' D' ' 98' ' ' GLU . . . -52.19 -43.48 64.19 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.001 -1.454 . . . . 0.0 112.077 179.589 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 102' ' ' LEU . . . . . 0.654 HD12 HG23 ' D' ' 103' ' ' THR . 0.4 OUTLIER -119.25 31.57 6.54 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -177.4 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D ' 103' ' ' THR . . . . . 0.654 HG23 HD12 ' D' ' 102' ' ' LEU . 34.2 p -149.18 -32.86 0.21 Allowed 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.994 -0.283 . . . . 0.0 111.613 179.6 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 69.09 28.27 5.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.082 0.467 . . . . 0.0 110.101 -179.231 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 105' ' ' SER . . . . . 0.451 ' CB ' ' CE1' ' C' ' 21' ' ' TYR . 2.2 p -51.0 -84.79 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.054 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 106' ' ' SER . . . . . 0.401 ' CB ' ' O ' ' D' ' 105' ' ' SER . 0.5 OUTLIER 164.47 108.08 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.046 179.907 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D ' 107' ' ' GLU . . . . . 0.665 ' HA ' HD12 ' D' ' 110' ' ' LEU . 9.9 pt-20 -47.66 -32.79 6.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.881 0.372 . . . . 0.0 110.658 -179.742 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.01 -45.37 89.28 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 179.183 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 109' ' ' ASP . . . . . 0.699 ' O ' HD12 ' D' ' 113' ' ' LEU . 4.0 m-20 -69.96 -35.51 74.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.641 178.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 110' ' ' LEU . . . . . 0.846 ' HB3' HD13 ' D' ' 96' ' ' LEU . 63.5 mt -65.16 -42.37 93.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.957 179.191 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 111' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -62.62 -41.2 98.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.53 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 112' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -59.03 -44.98 91.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.35 179.498 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 113' ' ' LEU . . . . . 0.71 HD11 ' CD1' ' C' ' 17' ' ' LEU . 0.5 OUTLIER -70.04 -40.22 75.27 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.747 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D ' 114' ' ' HIS . . . . . 0.782 ' HA ' HD21 ' D' ' 93' ' ' LEU . 1.6 t-80 -57.57 -32.89 67.6 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 178.876 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 115' ' ' SER . . . . . . . . . . . . . 10.3 t -74.81 -38.38 62.08 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 177.59 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 116' ' ' VAL . . . . . 0.834 ' O ' HD22 ' D' ' 122' ' ' LEU . 14.7 t -62.54 -23.76 33.4 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.163 177.643 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 117' ' ' PHE . . . . . 0.803 ' CD1' HG13 ' D' ' 89' ' ' VAL . 25.1 m-85 -97.48 -32.5 11.8 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.186 -0.915 . . . . 0.0 111.403 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 118' ' ' GLN . . . . . 0.401 ' HG2' ' CE1' ' D' ' 114' ' ' HIS . 0.6 OUTLIER -69.07 -29.5 67.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.516 -179.13 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -42.93 114.15 0.57 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.648 -179.389 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 120' ' ' GLN . . . . . . . . . . . . . 3.2 tm0? -59.18 -44.13 92.18 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.628 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 121' ' ' HIS . . . . . . . . . . . . . 57.1 m-70 -55.85 -33.64 64.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.593 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 122' ' ' LEU . . . . . 0.834 HD22 ' O ' ' D' ' 116' ' ' VAL . 39.1 tp -55.52 -46.7 76.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.649 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 123' ' ' HIS . . . . . 0.931 ' HA ' HD12 ' D' ' 126' ' ' LEU . 0.0 OUTLIER -57.26 -25.54 59.36 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 179.191 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D ' 124' ' ' THR . . . . . 0.53 HG21 HG23 ' C' ' 61' ' ' VAL . 2.0 m -73.38 -37.5 65.97 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 178.751 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 125' ' ' LEU . . . . . 0.807 HD12 HD12 ' D' ' 122' ' ' LEU . 6.2 mt -71.99 -33.32 68.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.417 178.404 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 126' ' ' LEU . . . . . 0.931 HD12 ' HA ' ' D' ' 123' ' ' HIS . 7.8 mt -73.44 -50.79 19.86 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.941 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 127' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -60.19 -39.35 86.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.947 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 128' ' ' LEU . . . . . 0.915 HD21 ' CD2' ' A' ' 59' ' ' TYR . 33.7 mt -73.52 -39.39 64.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.569 179.773 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 129' ' ' TYR . . . . . 0.433 ' HA ' ' HG ' ' C' ' 48' ' ' LEU . 4.0 t80 -55.87 -42.07 75.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.271 179.641 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 130' ' ' ASP . . . . . 0.669 ' OD1' ' HB2' ' D' ' 85' ' ' ALA . 0.1 OUTLIER -76.24 -40.13 52.76 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.186 179.731 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D ' 131' ' ' LYS . . . . . . . . . . . . . 4.3 tptt -54.48 -54.2 44.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.394 -179.262 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 132' ' ' ILE . . . . . 0.818 ' HB ' HD21 ' C' ' 48' ' ' LEU . 1.9 mt -74.11 -35.56 41.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.937 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 133' ' ' ASN . . . . . 0.736 ' HB2' HD23 ' C' ' 48' ' ' LEU . 47.5 t30 . . . . . 0 C--N 1.327 -0.404 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.985 -179.651 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.92 -39.89 94.2 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 179.067 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -78.79 -27.27 44.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.264 179.054 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.702 ' HB3' HG22 ' B' ' 116' ' ' VAL . 0.5 OUTLIER -79.73 -32.23 41.13 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.515 179.843 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.2 p -75.08 -42.28 57.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.355 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.509 ' HA ' HD23 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -70.01 -37.16 75.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.242 179.565 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.4 ttm180 -74.98 -25.22 58.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.063 179.114 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.895 ' CB ' HG11 ' B' ' 116' ' ' VAL . . . -78.46 -51.74 9.56 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.824 178.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.875 HD22 ' HB3' ' A' ' 44' ' ' PHE . 0.4 OUTLIER -64.5 -27.05 68.71 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.719 179.621 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.424 ' HB2' ' O ' ' A' ' 12' ' ' GLN . 17.3 t-160 -72.72 -45.13 60.3 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 178.576 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.914 HD22 ' CE1' ' A' ' 21' ' ' TYR . 3.8 mt -63.01 -33.61 75.8 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.009 178.281 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.856 HD12 ' HA ' ' A' ' 15' ' ' LEU . 37.6 mt -62.41 -47.95 81.87 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.524 179.505 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.449 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 8.6 mt-10 -59.59 -39.48 84.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.818 179.704 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -74.72 -35.4 62.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.968 179.484 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.914 ' CE1' HD22 ' A' ' 17' ' ' LEU . 3.9 m-30 -66.1 -48.56 70.5 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.626 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.57 ' HB3' HD12 ' A' ' 37' ' ' ILE . 0.0 OUTLIER -63.99 -31.48 72.68 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 178.367 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.7 m -58.5 -45.82 87.98 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.421 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.648 ' HE2' ' HA ' ' A' ' 21' ' ' TYR . 0.0 OUTLIER -103.36 -4.18 24.52 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 120.568 -0.453 . . . . 0.0 111.475 -179.806 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.877 HD12 HD11 ' A' ' 37' ' ' ILE . 0.1 OUTLIER -77.21 -59.41 2.79 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.023 0.439 . . . . 0.0 109.92 178.751 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.432 ' HB3' ' HB2' ' A' ' 34' ' ' ARG . 5.0 p -66.28 -158.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.848 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 57.72 32.87 22.51 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-O 120.955 0.407 . . . . 0.0 110.568 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.677 HG23 ' H ' ' A' ' 29' ' ' GLU . 4.1 t -153.08 -59.43 0.14 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.047 -179.6 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.677 ' H ' HG23 ' A' ' 28' ' ' THR . 20.3 pt-20 -173.62 28.28 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.603 -179.47 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.509 ' HB2' HD22 ' A' ' 25' ' ' LEU . 3.9 m-20 -145.84 46.16 1.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.853 0.359 . . . . 0.0 110.914 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.6 -54.83 42.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.283 0.563 . . . . 0.0 110.467 179.77 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -54.08 -46.52 72.06 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.858 178.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.83 HD21 ' HB3' ' B' ' 95' ' ' SER . 8.4 tp -53.66 -36.67 62.35 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.935 178.763 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.432 ' HB2' ' HB3' ' A' ' 26' ' ' SER . 15.5 ttp180 -60.61 -43.5 97.38 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.401 178.822 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.2 t -58.0 -35.58 71.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.303 179.061 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.617 ' O ' HG23 ' A' ' 40' ' ' VAL . 70.8 m -66.04 -51.04 61.82 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.052 0.453 . . . . 0.0 110.255 179.411 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.877 HD11 HD12 ' A' ' 25' ' ' LEU . 30.4 mt -58.33 -41.22 80.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.773 179.075 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.401 ' HA ' HG12 ' A' ' 41' ' ' ILE . 1.1 mt-10 -65.7 -51.55 58.46 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.07 -0.968 . . . . 0.0 112.507 -179.286 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.932 ' NH1' HE22 ' B' ' 91' ' ' GLN . 8.1 ptp180 -55.87 -33.34 64.48 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.478 -0.489 . . . . 0.0 110.092 -179.504 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 36' ' ' SER . 86.4 t -66.19 -44.34 91.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 178.047 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.681 HD11 ' HB3' ' A' ' 18' ' ' LEU . 17.1 mm -50.71 -53.04 14.68 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.263 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.199 179.318 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.1 t -59.49 -47.1 86.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.744 0.307 . . . . 0.0 110.75 -179.556 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.892 HG23 ' CE2' ' B' ' 129' ' ' TYR . 9.9 mt -59.72 -34.0 54.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 121.122 0.487 . . . . 0.0 109.953 179.219 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.875 ' HB3' HD22 ' A' ' 15' ' ' LEU . 2.8 m-85 -72.45 -56.47 5.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.017 179.279 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.506 ' HG3' ' O ' ' A' ' 41' ' ' ILE . 55.2 mt-30 -64.77 -25.92 68.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.515 -179.427 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.482 ' CB ' ' CE1' ' B' ' 129' ' ' TYR . 0.6 OUTLIER -33.86 122.81 0.46 Allowed 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.804 -179.312 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -50.2 -31.63 14.35 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.145 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.794 ' O ' HD12 ' A' ' 48' ' ' LEU . 1.9 tp -79.41 -42.84 24.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.721 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.473 ' CE1' HD23 ' B' ' 126' ' ' LEU . 60.9 t80 -51.12 -55.51 17.4 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.938 0.399 . . . . 0.0 110.744 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 35.3 mm-40 -59.63 -32.89 70.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.231 -0.44 . . . . 0.0 109.957 179.094 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.54 ' HB3' ' O ' ' A' ' 48' ' ' LEU . . . -58.97 -45.94 89.32 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.256 179.383 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.457 HD22 HD12 ' B' ' 128' ' ' LEU . 1.8 mt -61.34 -45.16 95.57 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.197 179.401 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.916 HG12 HD13 ' B' ' 125' ' ' LEU . 9.0 mt -53.42 -37.18 28.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.715 179.475 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.02 -35.64 66.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.493 179.496 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.774 HG22 ' HB2' ' A' ' 59' ' ' TYR . 75.1 mt -62.56 -42.04 94.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.695 179.649 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -52.88 -24.0 8.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.444 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -48.6 -29.49 4.35 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.328 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -154.87 25.36 0.44 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.481 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.877 ' CD2' HD21 ' D' ' 128' ' ' LEU . 46.4 m-85 -136.24 83.16 1.99 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.504 179.698 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -70.29 93.99 0.89 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.04 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.531 HG13 ' CG1' ' C' ' 61' ' ' VAL . 0.0 OUTLIER -72.93 96.99 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.888 0.375 . . . . 0.0 110.908 179.837 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.45 ' O ' HD23 ' A' ' 64' ' ' LEU . 3.2 m -81.22 110.54 16.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.492 179.752 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.438 HD12 HG23 ' B' ' 124' ' ' THR . 0.1 OUTLIER -84.64 127.43 34.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.693 HD23 ' N ' ' A' ' 64' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.424 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.857 -179.775 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 82' ' ' LEU . . . . . 0.853 HD23 ' N ' ' B' ' 82' ' ' LEU . 0.3 OUTLIER . . . . . 0 CA--C 1.522 -0.106 0 CA-C-O 121.065 0.46 . . . . 0.0 110.805 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 83' ' ' LEU . . . . . 1.093 HD23 ' H ' ' B' ' 84' ' ' ALA . 0.2 OUTLIER -60.12 -50.91 71.82 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.302 -178.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 1.093 ' H ' HD23 ' B' ' 83' ' ' LEU . . . -72.59 -23.45 60.95 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.461 -178.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 85' ' ' ALA . . . . . 0.894 ' HB2' ' OD2' ' B' ' 130' ' ' ASP . . . -52.59 -27.15 15.69 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.151 0.501 . . . . 0.0 109.938 179.449 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -125.21 -43.41 1.94 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.034 179.019 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 87' ' ' ARG . . . . . 0.787 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 12.0 ttt85 -57.74 -49.35 76.86 Favored 'General case' 0 CA--C 1.521 -0.144 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.086 179.14 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 88' ' ' ALA . . . . . 0.727 ' HB3' ' O ' ' B' ' 84' ' ' ALA . . . -56.75 -49.36 75.47 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.587 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 89' ' ' VAL . . . . . 0.639 HG13 ' CD1' ' B' ' 117' ' ' PHE . 74.9 t -67.99 -28.89 42.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.018 178.669 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 43.6 t -76.06 -30.19 58.28 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.838 179.558 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 91' ' ' GLN . . . . . 0.932 HE22 ' NH1' ' A' ' 39' ' ' ARG . 91.8 mt-30 -66.27 -52.95 42.44 Favored 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 109.327 -0.619 . . . . 0.0 109.327 179.209 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 92' ' ' VAL . . . . . 0.811 HG11 ' CD2' ' A' ' 18' ' ' LEU . 10.5 t -66.94 -27.73 40.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.127 179.178 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 93' ' ' LEU . . . . . 0.753 HD21 ' HA ' ' B' ' 114' ' ' HIS . 3.1 mt -69.03 -36.87 78.23 Favored 'General case' 0 C--O 1.231 0.081 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.428 179.681 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -82.79 -34.8 26.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.934 0.397 . . . . 0.0 110.847 -179.548 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 95' ' ' SER . . . . . 0.83 ' HB3' HD21 ' A' ' 33' ' ' LEU . 4.7 m -79.34 -16.9 55.56 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.751 -179.76 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 96' ' ' LEU . . . . . 0.884 HD22 ' CD2' ' B' ' 110' ' ' LEU . 0.1 OUTLIER -37.71 -52.4 1.25 Allowed 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -179.337 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -66.65 -29.46 69.49 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.492 -179.047 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 98' ' ' GLU . . . . . 0.77 ' O ' ' HB3' ' B' ' 101' ' ' ALA . 0.0 OUTLIER -72.36 -38.7 68.5 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 178.19 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 99' ' ' ILE . . . . . 0.477 ' O ' HG23 ' B' ' 103' ' ' THR . 23.0 mt -57.94 -47.18 87.13 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.727 0 CA-C-N 114.534 -1.212 . . . . 0.0 109.621 178.289 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 100' ' ' HIS . . . . . 0.508 ' HB2' ' CD1' ' B' ' 110' ' ' LEU . 0.8 OUTLIER -57.39 -39.69 76.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.904 0.859 . . . . 0.0 108.751 178.113 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 101' ' ' ALA . . . . . 0.77 ' HB3' ' O ' ' B' ' 98' ' ' GLU . . . -53.04 -40.77 64.2 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 114.013 -1.449 . . . . 0.0 111.921 179.664 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 102' ' ' LEU . . . . . 0.662 HD21 ' OE2' ' B' ' 98' ' ' GLU . 0.4 OUTLIER -123.33 34.14 5.18 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.135 0.791 . . . . 0.0 113.135 -177.272 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 103' ' ' THR . . . . . 0.638 HG23 HD12 ' B' ' 102' ' ' LEU . 43.2 p -150.18 -35.37 0.16 Allowed 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.552 -0.459 . . . . 0.0 112.024 179.584 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 5.8 t0 75.99 27.43 0.93 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.147 0.499 . . . . 0.0 109.906 -178.586 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 105' ' ' SER . . . . . 0.45 ' HB3' ' CZ ' ' A' ' 21' ' ' TYR . 0.0 OUTLIER -59.62 -18.04 38.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.538 -0.756 . . . . 0.0 111.556 -179.793 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 106' ' ' SER . . . . . 0.404 ' HA ' ' CE1' ' B' ' 100' ' ' HIS . 1.6 p 77.16 125.78 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.484 -179.453 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 107' ' ' GLU . . . . . 0.506 ' HA ' ' HB2' ' B' ' 110' ' ' LEU . 0.3 OUTLIER -56.76 -20.65 23.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.425 -179.611 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 6.3 mmtt -62.53 -55.76 24.39 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.897 0.38 . . . . 0.0 110.454 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 109' ' ' ASP . . . . . 0.629 ' O ' HD12 ' B' ' 113' ' ' LEU . 3.0 m-20 -66.46 -38.94 88.45 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.403 0.62 . . . . 0.0 109.374 178.748 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 110' ' ' LEU . . . . . 0.884 ' CD2' HD22 ' B' ' 96' ' ' LEU . 16.1 mt -61.57 -37.16 82.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.279 179.065 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 111' ' ' ASP . . . . . 0.497 ' HA ' ' HD2' ' B' ' 114' ' ' HIS . 10.5 t70 -66.21 -43.21 87.38 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.548 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 112' ' ' PHE . . . . . 0.532 ' O ' HG23 ' B' ' 116' ' ' VAL . 0.5 OUTLIER -58.95 -38.39 78.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.553 179.654 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 113' ' ' LEU . . . . . 0.733 HD11 ' CD1' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -75.71 -29.57 59.0 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.161 -179.814 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 114' ' ' HIS . . . . . 0.753 ' HA ' HD21 ' B' ' 93' ' ' LEU . 0.0 OUTLIER -64.62 -34.34 78.04 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 178.515 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 48.4 t -77.24 -38.4 51.22 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.147 178.761 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 116' ' ' VAL . . . . . 0.895 HG11 ' CB ' ' A' ' 14' ' ' ALA . 24.1 t -61.14 -23.97 31.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.807 178.545 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 117' ' ' PHE . . . . . 0.639 ' CD1' HG13 ' B' ' 89' ' ' VAL . 22.8 m-85 -99.82 -37.23 9.15 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.233 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 118' ' ' GLN . . . . . 0.509 ' NE2' ' ND1' ' B' ' 114' ' ' HIS . 0.0 OUTLIER -60.63 -28.28 68.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.271 -179.49 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -46.11 116.83 1.34 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.481 -179.671 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -62.11 -39.43 92.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.731 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 121' ' ' HIS . . . . . 0.428 ' O ' ' HG ' ' B' ' 125' ' ' LEU . 8.4 m-70 -59.58 -35.38 74.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.66 179.718 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 122' ' ' LEU . . . . . 0.832 HD22 ' O ' ' B' ' 116' ' ' VAL . 43.9 tp -56.45 -49.18 75.33 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.491 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 123' ' ' HIS . . . . . 1.011 ' HA ' HD12 ' B' ' 126' ' ' LEU . 45.6 m-70 -53.45 -28.86 32.52 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.037 0.446 . . . . 0.0 110.014 179.128 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 124' ' ' THR . . . . . 0.496 HG22 HD11 ' B' ' 128' ' ' LEU . 1.4 m -72.48 -37.09 68.56 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.806 -0.633 . . . . 0.0 109.339 178.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 125' ' ' LEU . . . . . 0.916 HD13 HG12 ' A' ' 53' ' ' ILE . 3.2 mt -72.14 -33.47 67.79 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.628 178.638 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 126' ' ' LEU . . . . . 1.011 HD12 ' HA ' ' B' ' 123' ' ' HIS . 4.0 mt -72.9 -50.54 23.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.593 -0.731 . . . . 0.0 111.164 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 127' ' ' ASP . . . . . 0.421 ' O ' ' HB2' ' B' ' 131' ' ' LYS . 9.3 m-20 -61.09 -52.77 63.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.363 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 128' ' ' LEU . . . . . 0.901 HD21 ' CD2' ' C' ' 59' ' ' TYR . 28.0 mt -60.43 -40.64 91.84 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.535 -179.492 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 129' ' ' TYR . . . . . 0.892 ' CE2' HG23 ' A' ' 43' ' ' ILE . 0.2 OUTLIER -56.62 -52.67 63.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.882 0.372 . . . . 0.0 111.608 -179.183 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 130' ' ' ASP . . . . . 0.894 ' OD2' ' HB2' ' B' ' 85' ' ' ALA . 0.0 OUTLIER -76.45 -33.25 58.75 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.364 -179.801 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 131' ' ' LYS . . . . . 0.617 ' O ' HG22 ' B' ' 134' ' ' THR . 9.6 tmtm? -59.28 -42.37 91.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.647 0.26 . . . . 0.0 110.77 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 132' ' ' ILE . . . . . 0.52 ' HB ' HD21 ' A' ' 48' ' ' LEU . 5.5 mt -75.21 -38.43 41.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.989 0.423 . . . . 0.0 110.005 179.307 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 133' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -70.12 -25.6 63.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.97 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 134' ' ' THR . . . . . 0.617 HG22 ' O ' ' B' ' 131' ' ' LYS . 1.2 t -82.03 -29.08 32.15 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.96 0.409 . . . . 0.0 110.846 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 135' ' ' LYS . . . . . 0.506 ' HG2' ' HB2' ' C' ' 51' ' ' ALA . 0.0 OUTLIER -69.07 -36.97 78.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.631 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 7' ' ' ARG . . . . . . . . . . . . . 21.6 ttm180 . . . . . 0 N--CA 1.456 -0.151 0 N-CA-C 110.473 -0.195 . . . . 0.0 110.473 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 9.1 mmmt -64.95 -40.01 94.37 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-O 121.196 0.522 . . . . 0.0 109.603 179.046 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 8.2 mm100 -72.99 -30.58 63.91 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.483 178.426 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -78.0 -30.38 50.08 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.598 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 11' ' ' THR . . . . . 0.432 HG22 ' CE2' ' C' ' 44' ' ' PHE . 1.0 OUTLIER -73.72 -38.33 64.84 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.432 179.816 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 12' ' ' GLN . . . . . 0.416 ' O ' ' CG ' ' C' ' 16' ' ' HIS . 0.6 OUTLIER -69.77 -43.26 72.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.193 179.449 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 9.3 ttm180 -68.05 -26.89 66.09 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.089 179.21 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 14' ' ' ALA . . . . . 0.853 ' CB ' HG11 ' D' ' 116' ' ' VAL . . . -78.55 -54.62 5.95 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 178.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 15' ' ' LEU . . . . . 0.732 ' O ' HD12 ' C' ' 41' ' ' ILE . 0.3 OUTLIER -64.11 -28.26 69.65 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.762 179.325 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 16' ' ' HIS . . . . . 0.416 ' CG ' ' O ' ' C' ' 12' ' ' GLN . 20.7 m170 -73.09 -43.5 61.71 Favored 'General case' 0 CA--C 1.519 -0.237 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 178.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 17' ' ' LEU . . . . . 0.844 HD22 ' CZ ' ' C' ' 21' ' ' TYR . 2.4 mt -62.44 -38.13 88.54 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.737 178.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 18' ' ' LEU . . . . . 0.678 ' CB ' HD11 ' C' ' 41' ' ' ILE . 19.5 mt -63.36 -42.85 98.9 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.604 179.654 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 19' ' ' GLU . . . . . 0.417 ' O ' ' CG ' ' C' ' 22' ' ' ARG . 22.5 mt-10 -59.39 -43.04 93.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -71.3 -33.75 69.98 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.991 179.573 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 21' ' ' TYR . . . . . 0.844 ' CZ ' HD22 ' C' ' 17' ' ' LEU . 17.5 m-30 -66.32 -48.56 69.91 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.58 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 22' ' ' ARG . . . . . 0.454 ' HB2' ' CG ' ' C' ' 34' ' ' ARG . 9.0 ptt85 -56.68 -44.24 81.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.765 0.316 . . . . 0.0 110.419 179.318 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 23' ' ' SER . . . . . 0.435 ' O ' ' HG2' ' C' ' 27' ' ' GLN . 0.6 OUTLIER -58.83 -33.62 70.61 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.791 179.594 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 24' ' ' LYS . . . . . . . . . . . . . 9.7 ptmt -109.33 13.75 24.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.658 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 25' ' ' LEU . . . . . 0.842 HD12 HD11 ' C' ' 37' ' ' ILE . 0.1 OUTLIER -109.56 -65.03 1.18 Allowed 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -178.62 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 26' ' ' SER . . . . . 0.591 ' HB2' ' HB2' ' C' ' 34' ' ' ARG . 0.0 OUTLIER -64.36 -21.82 66.75 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -177.927 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 27' ' ' GLN . . . . . 0.435 ' HG2' ' O ' ' C' ' 23' ' ' SER . 0.9 OUTLIER -73.77 55.78 0.54 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.812 0.339 . . . . 0.0 110.916 -179.517 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 28' ' ' THR . . . . . 0.459 HG23 ' HG2' ' C' ' 29' ' ' GLU . 1.4 t -174.75 -51.57 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.796 179.655 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 29' ' ' GLU . . . . . 0.459 ' HG2' HG23 ' C' ' 28' ' ' THR . 8.5 pt-20 -175.65 28.58 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -179.58 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 30' ' ' ASP . . . . . 0.476 ' CB ' HD22 ' C' ' 25' ' ' LEU . 0.4 OUTLIER -142.07 47.25 1.62 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.989 0.423 . . . . 0.0 111.596 -179.789 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 31' ' ' ARG . . . . . 0.44 ' HA ' ' HB2' ' C' ' 26' ' ' SER . 11.6 mmm180 -55.45 -52.06 64.87 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 121.189 0.519 . . . . 0.0 110.692 179.55 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.36 -47.63 72.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.15 179.401 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 33' ' ' LEU . . . . . 0.509 HD21 ' HB3' ' D' ' 95' ' ' SER . 3.2 tp -52.94 -34.55 55.96 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.034 179.21 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 34' ' ' ARG . . . . . 0.591 ' HB2' ' HB2' ' C' ' 26' ' ' SER . 3.7 ttp180 -60.44 -47.83 84.39 Favored 'General case' 0 CA--C 1.513 -0.449 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 178.743 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.1 -34.96 61.56 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.164 -0.925 . . . . 0.0 109.897 179.253 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 36' ' ' SER . . . . . 0.539 ' HB2' HG22 ' D' ' 92' ' ' VAL . 1.1 m -69.59 -51.34 36.13 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.082 178.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 37' ' ' ILE . . . . . 0.842 HD11 HD12 ' C' ' 25' ' ' LEU . 57.7 mt -56.82 -38.57 59.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.876 178.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -61.77 -52.54 63.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.645 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 39' ' ' ARG . . . . . 0.609 ' HG3' ' HB1' ' D' ' 88' ' ' ALA . 7.0 ptp85 -55.87 -34.64 65.67 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.594 -0.443 . . . . 0.0 109.903 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 40' ' ' VAL . . . . . 0.484 HG11 ' CD1' ' C' ' 18' ' ' LEU . 95.8 t -68.39 -45.74 81.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 178.293 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 41' ' ' ILE . . . . . 0.732 HD12 ' O ' ' C' ' 15' ' ' LEU . 8.8 mm -55.17 -52.85 40.72 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.108 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.258 179.415 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 40.8 t -63.46 -48.9 75.77 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.859 0.361 . . . . 0.0 110.695 -179.543 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 43' ' ' ILE . . . . . 0.421 HG13 ' O ' ' C' ' 39' ' ' ARG . 20.6 mt -59.69 -33.16 51.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.126 179.417 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 44' ' ' PHE . . . . . 0.69 ' HB3' HD22 ' C' ' 15' ' ' LEU . 1.3 m-85 -72.74 -57.57 4.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.621 179.513 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 45' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -78.44 -2.21 37.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.798 -178.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 46' ' ' SER . . . . . 0.485 ' CB ' ' CE1' ' D' ' 129' ' ' TYR . 0.6 OUTLIER -49.31 137.68 13.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.869 0.366 . . . . 0.0 111.068 -179.861 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -58.89 -34.06 71.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.051 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 48' ' ' LEU . . . . . 0.795 ' O ' HD12 ' C' ' 48' ' ' LEU . 1.9 tp -79.22 -43.83 23.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.074 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 49' ' ' PHE . . . . . 0.592 ' CE1' HD23 ' D' ' 126' ' ' LEU . 44.5 t80 -51.24 -55.86 15.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.138 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 37.0 mm-40 -56.56 -32.74 65.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.851 0.358 . . . . 0.0 110.427 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 51' ' ' ALA . . . . . 0.519 ' HB3' ' O ' ' C' ' 48' ' ' LEU . . . -59.89 -47.33 86.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.618 179.506 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 52' ' ' LEU . . . . . 0.528 HD13 ' O ' ' D' ' 125' ' ' LEU . 1.5 mt -61.07 -44.41 97.42 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.365 179.531 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 53' ' ' ILE . . . . . 0.828 HG12 HD13 ' D' ' 125' ' ' LEU . 16.4 mt -54.33 -38.6 40.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.594 179.587 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -67.37 -40.38 85.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.321 179.54 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 55' ' ' ILE . . . . . 0.822 HG22 ' HB2' ' C' ' 59' ' ' TYR . 61.8 mt -60.43 -37.89 76.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.642 179.512 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 56' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -53.39 -22.81 8.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.556 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 57' ' ' GLU . . . . . 0.411 ' O ' ' CD2' ' C' ' 58' ' ' PHE . 62.3 mt-10 -46.75 -32.06 3.38 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.64 0.257 . . . . 0.0 111.38 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 58' ' ' PHE . . . . . 0.411 ' CD2' ' O ' ' C' ' 57' ' ' GLU . 59.8 m-85 -157.77 28.52 0.27 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.35 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 59' ' ' TYR . . . . . 0.901 ' CD2' HD21 ' B' ' 128' ' ' LEU . 52.7 m-85 -135.33 81.04 1.87 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.77 179.646 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.14 90.79 0.89 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.723 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 61' ' ' VAL . . . . . 0.603 HG23 HG21 ' D' ' 124' ' ' THR . 0.0 OUTLIER -72.8 96.87 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.185 -179.882 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 62' ' ' THR . . . . . . . . . . . . . 2.8 m -78.73 118.21 20.59 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.177 179.54 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 63' ' ' LEU . . . . . 0.622 HD13 ' CE1' ' D' ' 123' ' ' HIS . 0.2 OUTLIER -90.12 131.4 35.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.034 -179.761 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 64' ' ' LEU . . . . . 0.757 ' N ' HD23 ' C' ' 64' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.686 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 82' ' ' LEU . . . . . 0.775 ' N ' HD23 ' D' ' 82' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 83' ' ' LEU . . . . . 1.082 HD23 ' H ' ' D' ' 84' ' ' ALA . 0.1 OUTLIER -59.68 -54.21 49.06 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 114.519 -1.219 . . . . 0.0 111.198 -179.675 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 84' ' ' ALA . . . . . 1.082 ' H ' HD23 ' D' ' 83' ' ' LEU . . . -71.79 -23.29 61.55 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.158 -179.154 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 85' ' ' ALA . . . . . 0.813 ' HB1' ' HB3' ' D' ' 126' ' ' LEU . . . -52.46 -26.42 12.75 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 179.065 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 86' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -126.24 -39.25 2.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.237 178.721 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 87' ' ' ARG . . . . . 0.741 ' HB3' ' O ' ' D' ' 83' ' ' LEU . 12.9 ttt180 -64.92 -37.74 88.65 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.656 179.56 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 88' ' ' ALA . . . . . 0.787 ' HB2' ' HB1' ' D' ' 84' ' ' ALA . . . -68.54 -45.14 72.97 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.046 -179.615 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 89' ' ' VAL . . . . . 0.77 HG12 ' HB3' ' D' ' 117' ' ' PHE . 25.2 t -76.99 -31.84 19.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.694 179.496 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 90' ' ' SER . . . . . 0.442 ' HA ' ' HB2' ' D' ' 93' ' ' LEU . 45.7 t -76.1 -42.28 47.67 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.067 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 91' ' ' GLN . . . . . 0.438 ' CD ' ' HB3' ' C' ' 36' ' ' SER . 7.8 pt20 -64.68 -49.07 72.39 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 179.62 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 92' ' ' VAL . . . . . 0.685 HG23 ' O ' ' D' ' 88' ' ' ALA . 47.3 t -65.1 -27.87 43.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.265 177.669 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 93' ' ' LEU . . . . . 0.712 HD21 ' HA ' ' D' ' 114' ' ' HIS . 1.5 mt -60.64 -43.04 98.04 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.202 179.35 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -75.19 -31.73 61.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.529 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 95' ' ' SER . . . . . 0.509 ' HB3' HD21 ' C' ' 33' ' ' LEU . 0.8 OUTLIER -79.04 -23.97 43.92 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.41 -179.877 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 96' ' ' LEU . . . . . 0.954 HD22 HD22 ' D' ' 110' ' ' LEU . 0.2 OUTLIER -37.95 -52.61 1.36 Allowed 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 -179.583 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -68.08 -28.96 67.81 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.373 -179.261 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 98' ' ' GLU . . . . . 0.791 ' OE2' HD21 ' D' ' 102' ' ' LEU . 0.1 OUTLIER -70.2 -36.2 74.45 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 177.896 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 99' ' ' ILE . . . . . 0.585 ' O ' HG23 ' D' ' 103' ' ' THR . 26.5 mt -60.04 -48.54 87.5 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.79 0 CA-C-N 114.505 -1.225 . . . . 0.0 110.011 178.567 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 100' ' ' HIS . . . . . 0.731 ' HB2' HD11 ' D' ' 110' ' ' LEU . 0.2 OUTLIER -57.8 -35.84 71.38 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 178.376 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 101' ' ' ALA . . . . . 0.76 ' HB3' ' O ' ' D' ' 98' ' ' GLU . . . -54.52 -43.77 72.18 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.585 -1.189 . . . . 0.0 111.79 179.441 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 102' ' ' LEU . . . . . 0.791 HD21 ' OE2' ' D' ' 98' ' ' GLU . 0.3 OUTLIER -117.7 32.55 6.09 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.672 -0.694 . . . . 0.0 112.553 -177.648 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 103' ' ' THR . . . . . 0.638 HG23 HD12 ' D' ' 102' ' ' LEU . 36.6 p -148.46 -33.2 0.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.894 -0.322 . . . . 0.0 111.803 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 1.5 t0 74.17 25.87 1.73 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.982 0.42 . . . . 0.0 110.531 -179.355 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 105' ' ' SER . . . . . 0.441 ' HB3' ' CZ ' ' C' ' 21' ' ' TYR . 72.7 m -64.18 -13.22 47.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.292 179.768 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 106' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' D' ' 105' ' ' SER . 4.0 t 81.81 123.02 0.04 OUTLIER 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.988 0.423 . . . . 0.0 111.085 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -54.1 -27.03 30.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.91 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.28 -54.97 36.84 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.968 0.414 . . . . 0.0 110.301 179.556 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 109' ' ' ASP . . . . . 0.725 ' O ' HD12 ' D' ' 113' ' ' LEU . 11.0 m-20 -63.13 -38.76 92.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.732 178.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 110' ' ' LEU . . . . . 0.954 HD22 HD22 ' D' ' 96' ' ' LEU . 17.8 mt -60.25 -38.14 82.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.32 179.255 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 111' ' ' ASP . . . . . 0.485 ' HA ' ' HD2' ' D' ' 114' ' ' HIS . 61.4 m-20 -64.99 -45.85 83.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.843 -179.675 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 112' ' ' PHE . . . . . 0.537 ' O ' HG23 ' D' ' 116' ' ' VAL . 3.8 t80 -58.74 -35.26 72.42 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.375 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 113' ' ' LEU . . . . . 0.725 HD12 ' O ' ' D' ' 109' ' ' ASP . 0.5 OUTLIER -78.26 -28.59 47.74 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 114' ' ' HIS . . . . . 0.712 ' HA ' HD21 ' D' ' 93' ' ' LEU . 0.0 OUTLIER -63.76 -35.27 80.04 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 178.282 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 115' ' ' SER . . . . . . . . . . . . . 27.6 t -74.32 -38.77 63.21 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 178.508 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 116' ' ' VAL . . . . . 0.853 HG11 ' CB ' ' C' ' 14' ' ' ALA . 44.0 t -63.45 -23.28 32.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.272 -0.876 . . . . 0.0 109.639 178.272 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 117' ' ' PHE . . . . . 0.77 ' HB3' HG12 ' D' ' 89' ' ' VAL . 12.1 m-30 -103.25 -19.6 14.42 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.45 -179.597 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 118' ' ' GLN . . . . . 0.503 ' NE2' ' ND1' ' D' ' 114' ' ' HIS . 0.0 OUTLIER -79.74 -26.92 40.61 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.66 0.267 . . . . 0.0 111.402 -179.557 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -43.14 118.11 1.23 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.711 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 120' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -63.9 -49.19 73.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.633 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 121' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -55.77 -33.74 64.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.58 179.369 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 122' ' ' LEU . . . . . 0.899 HD12 HD12 ' D' ' 125' ' ' LEU . 31.1 tp -55.55 -46.27 77.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.333 179.692 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 123' ' ' HIS . . . . . 1.021 ' HA ' HD12 ' D' ' 126' ' ' LEU . 0.0 OUTLIER -54.85 -27.1 39.78 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 178.859 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 124' ' ' THR . . . . . 0.603 HG21 HG23 ' C' ' 61' ' ' VAL . 1.9 m -74.1 -36.13 64.23 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.16 178.561 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 125' ' ' LEU . . . . . 0.899 HD12 HD12 ' D' ' 122' ' ' LEU . 5.0 mt -73.15 -33.5 65.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.496 -0.774 . . . . 0.0 109.619 178.688 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 126' ' ' LEU . . . . . 1.021 HD12 ' HA ' ' D' ' 123' ' ' HIS . 3.4 mt -73.39 -47.79 39.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.09 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 127' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -64.73 -47.03 79.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.062 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 128' ' ' LEU . . . . . 0.877 HD21 ' CD2' ' A' ' 59' ' ' TYR . 63.4 mt -65.86 -34.71 78.76 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.021 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 129' ' ' TYR . . . . . 0.485 ' CE1' ' CB ' ' C' ' 46' ' ' SER . 0.2 OUTLIER -62.06 -52.1 65.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.932 0.396 . . . . 0.0 111.06 -179.444 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 130' ' ' ASP . . . . . 0.578 ' HB3' HD23 ' D' ' 82' ' ' LEU . 13.7 m-20 -76.06 -17.58 59.58 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.127 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 131' ' ' LYS . . . . . 0.551 ' HG2' HD13 ' D' ' 82' ' ' LEU . 0.0 OUTLIER -71.9 -51.16 23.57 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.827 0.346 . . . . 0.0 110.668 179.775 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 132' ' ' ILE . . . . . 0.615 HD12 ' O ' ' D' ' 128' ' ' LEU . 3.1 mt -72.36 -36.93 56.63 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 CA-C-O 121.049 0.452 . . . . 0.0 110.576 179.695 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 133' ' ' ASN . . . . . 0.417 ' HB2' HD23 ' C' ' 48' ' ' LEU . 30.5 t30 . . . . . 0 N--CA 1.452 -0.37 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.772 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.759 ' O ' HG23 ' A' ' 11' ' ' THR . 10.4 ttm180 . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.581 0.229 . . . . 0.0 110.427 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.676 ' HG2' HG21 ' A' ' 53' ' ' ILE . 1.7 mttt -65.12 -37.11 86.41 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 121.231 0.538 . . . . 0.0 109.744 179.016 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.4 mm100 -77.98 -27.23 49.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.171 179.038 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.498 ' HB3' HG22 ' B' ' 116' ' ' VAL . 9.2 m-20 -81.49 -32.25 32.55 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.551 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.759 HG23 ' O ' ' A' ' 7' ' ' ARG . 66.5 p -74.29 -38.86 63.26 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.189 179.535 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.471 ' HA ' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -71.76 -42.74 66.84 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.535 179.622 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.3 ttt180 -71.79 -23.94 61.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.96 179.18 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.834 ' CB ' HG11 ' B' ' 116' ' ' VAL . . . -78.64 -53.17 7.45 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.736 179.107 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.842 HD22 ' HB3' ' A' ' 44' ' ' PHE . 0.6 OUTLIER -63.67 -26.29 68.6 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.888 179.591 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.5 m170 -73.34 -47.97 38.07 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 178.797 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.947 HD22 ' CE1' ' A' ' 21' ' ' TYR . 1.4 mt -60.64 -37.73 82.45 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.595 -0.729 . . . . 0.0 109.449 178.844 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.938 ' CD2' HG11 ' B' ' 92' ' ' VAL . 18.7 mt -59.17 -46.83 87.36 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.069 -0.969 . . . . 0.0 110.684 179.447 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -57.92 -45.22 86.88 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.031 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -71.67 -34.99 70.18 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.139 0.495 . . . . 0.0 110.081 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.947 ' CE1' HD22 ' A' ' 17' ' ' LEU . 4.9 m-30 -64.61 -47.31 79.07 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.6 179.746 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.459 ' HG3' ' N ' ' A' ' 23' ' ' SER . 19.4 ptt180 -61.24 -41.94 97.75 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.775 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.459 ' N ' ' HG3' ' A' ' 22' ' ' ARG . 38.9 m -60.12 -35.27 74.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.587 179.601 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.5 ptmt -100.78 0.98 39.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.437 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.788 ' CD1' HD11 ' A' ' 37' ' ' ILE . 0.4 OUTLIER -90.64 -67.99 0.82 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.83 0.347 . . . . 0.0 111.128 -179.757 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.562 ' HB2' ' HB2' ' A' ' 34' ' ' ARG . 33.8 t -62.98 -151.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.663 -179.535 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 57.51 24.07 9.88 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-O 121.157 0.503 . . . . 0.0 110.002 -179.343 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.606 HG23 ' N ' ' A' ' 29' ' ' GLU . 6.6 t -149.52 -55.17 0.18 Allowed 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.814 -179.178 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.606 ' N ' HG23 ' A' ' 28' ' ' THR . 13.4 pt-20 -175.56 27.84 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.655 -179.441 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.512 ' HB2' HD22 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -143.2 59.12 1.41 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.91 0.386 . . . . 0.0 110.944 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.7 mmm180 -68.45 -53.04 26.12 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.102 0.477 . . . . 0.0 109.831 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -60.67 -46.1 91.64 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.56 178.769 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.628 HD21 ' HB3' ' B' ' 95' ' ' SER . 9.1 tp -51.66 -38.77 56.41 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.058 178.856 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.848 ' HA ' HD12 ' A' ' 37' ' ' ILE . 5.2 ttp180 -60.56 -45.2 94.81 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.284 178.865 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.515 ' HA ' ' HG2' ' A' ' 38' ' ' GLU . 13.6 m -55.86 -33.17 64.31 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.006 179.56 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.65 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.7 OUTLIER -71.8 -41.82 67.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.163 0.506 . . . . 0.0 110.572 179.752 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.848 HD12 ' HA ' ' A' ' 34' ' ' ARG . 9.6 mt -62.15 -46.94 95.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.545 179.24 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.53 ' HA ' HG12 ' A' ' 41' ' ' ILE . 7.9 pt-20 -63.46 -43.22 98.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.176 -179.16 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.577 ' HG3' ' HB1' ' B' ' 88' ' ' ALA . 6.6 ptp85 -57.8 -40.21 79.37 Favored 'General case' 0 CA--C 1.52 -0.202 0 C-N-CA 120.203 -0.599 . . . . 0.0 109.589 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.717 HG12 ' CD2' ' A' ' 44' ' ' PHE . 39.7 t -63.66 -34.48 68.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 178.1 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.82 HD11 ' HB3' ' A' ' 18' ' ' LEU . 27.5 mm -60.83 -63.12 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.355 179.32 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.2 p -54.38 -46.35 73.03 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-O 121.057 0.455 . . . . 0.0 110.484 -179.32 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.505 HG23 ' CD2' ' B' ' 129' ' ' TYR . 8.0 mt -59.78 -33.81 53.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.883 178.853 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.842 ' HB3' HD22 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -72.13 -59.62 2.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.843 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.432 ' HG2' ' O ' ' A' ' 41' ' ' ILE . 19.9 pt20 -76.25 -2.69 32.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.811 -178.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.401 ' HG ' ' HE1' ' B' ' 129' ' ' TYR . 0.3 OUTLIER -48.47 135.3 14.35 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.868 0.366 . . . . 0.0 111.023 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -53.79 -36.47 62.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.399 -179.584 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.752 ' O ' HD12 ' A' ' 48' ' ' LEU . 3.3 tp -79.24 -42.8 25.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.231 -179.614 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.404 ' CE2' HD11 ' A' ' 53' ' ' ILE . 53.0 t80 -50.97 -55.99 14.63 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.661 0.267 . . . . 0.0 111.218 -179.457 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -57.89 -39.03 76.9 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.875 0.369 . . . . 0.0 110.479 179.645 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.63 -40.23 82.76 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.19 179.452 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.552 ' HA ' HD12 ' A' ' 55' ' ' ILE . 1.1 mt -64.24 -44.74 90.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.85 178.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.676 HG21 ' HG2' ' A' ' 8' ' ' LYS . 47.5 mt -54.87 -33.44 28.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.247 179.231 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -71.25 -39.48 71.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.97 179.005 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.643 HG22 ' HB2' ' A' ' 59' ' ' TYR . 91.8 mt -59.45 -47.58 90.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.502 179.442 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.3 tm0? -54.83 -22.99 16.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.376 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -49.71 -39.31 36.54 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.127 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.439 ' HA ' ' HG ' ' C' ' 64' ' ' LEU . 26.9 m-85 -141.99 15.2 2.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.636 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.922 ' CD2' HD21 ' D' ' 128' ' ' LEU . 9.2 m-85 -134.35 75.57 1.59 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.598 179.639 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.415 ' HB2' ' HB ' ' C' ' 62' ' ' THR . 60.0 mt-10 -60.03 106.31 0.49 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.751 0.31 . . . . 0.0 110.595 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.408 HG22 ' H ' ' A' ' 61' ' ' VAL . 0.0 OUTLIER -72.51 97.12 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.948 0.404 . . . . 0.0 110.971 -179.801 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.496 ' HB ' ' HB2' ' C' ' 60' ' ' GLU . 8.7 m -79.63 112.06 16.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.582 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.524 HD11 ' CZ ' ' C' ' 59' ' ' TYR . 0.1 OUTLIER -89.33 126.05 35.37 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.716 179.888 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.769 HD23 ' N ' ' A' ' 64' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.424 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.502 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 82' ' ' LEU . . . . . 0.888 HD23 ' N ' ' B' ' 82' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.982 0.42 . . . . 0.0 110.482 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 83' ' ' LEU . . . . . 1.042 HD23 ' H ' ' B' ' 84' ' ' ALA . 0.3 OUTLIER -59.81 -46.05 90.43 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.692 -179.619 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 1.042 ' H ' HD23 ' B' ' 83' ' ' LEU . . . -80.14 -5.75 56.53 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.247 -179.446 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 85' ' ' ALA . . . . . 0.789 ' HB1' ' HB2' ' B' ' 126' ' ' LEU . . . -74.5 14.87 0.41 Allowed 'General case' 0 N--CA 1.449 -0.482 0 CA-C-O 121.44 0.638 . . . . 0.0 110.017 178.46 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 86' ' ' GLU . . . . . 0.517 ' H ' ' C ' ' B' ' 84' ' ' ALA . 8.3 tt0 -167.71 -39.51 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.016 -0.993 . . . . 0.0 108.418 179.634 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 87' ' ' ARG . . . . . 0.692 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 9.3 ttt-85 -67.77 -41.07 83.85 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.658 178.26 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 88' ' ' ALA . . . . . 0.948 ' HB2' ' HB1' ' B' ' 84' ' ' ALA . . . -67.26 -48.59 67.26 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.571 179.712 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 89' ' ' VAL . . . . . 0.737 HG12 ' HB3' ' B' ' 117' ' ' PHE . 16.0 t -66.27 -43.7 91.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.411 179.408 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 90' ' ' SER . . . . . 0.461 ' HA ' ' HB2' ' B' ' 93' ' ' LEU . 67.6 m -72.28 -21.96 61.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.638 179.199 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 91' ' ' GLN . . . . . 0.475 ' HB3' ' HB3' ' A' ' 36' ' ' SER . 3.5 mt-30 -66.34 -57.16 8.06 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-O 121.384 0.611 . . . . 0.0 109.795 179.454 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 92' ' ' VAL . . . . . 0.938 HG11 ' CD2' ' A' ' 18' ' ' LEU . 5.1 t -66.51 -27.82 41.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.169 179.152 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 93' ' ' LEU . . . . . 0.63 HD21 ' HA ' ' B' ' 114' ' ' HIS . 0.7 OUTLIER -68.21 -30.61 69.72 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.878 179.486 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.9 -42.51 21.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.994 0.426 . . . . 0.0 110.894 -179.646 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 95' ' ' SER . . . . . 0.628 ' HB3' HD21 ' A' ' 33' ' ' LEU . 0.8 OUTLIER -79.75 -13.11 59.68 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.081 -179.557 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 96' ' ' LEU . . . . . 0.849 HD13 ' HB3' ' B' ' 110' ' ' LEU . 0.2 OUTLIER -39.21 -50.79 1.96 Allowed 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -179.248 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -68.0 -31.56 71.35 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.936 0.398 . . . . 0.0 111.102 -179.279 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 98' ' ' GLU . . . . . 0.754 ' O ' ' HB3' ' B' ' 101' ' ' ALA . 0.0 OUTLIER -68.38 -37.41 80.37 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 178.072 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 99' ' ' ILE . . . . . 0.551 HG12 ' CD1' ' A' ' 25' ' ' LEU . 27.8 mt -57.84 -49.37 81.24 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.757 0 CA-C-N 114.146 -1.388 . . . . 0.0 110.337 178.811 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 100' ' ' HIS . . . . . 0.915 ' HB2' HD11 ' B' ' 110' ' ' LEU . 0.7 OUTLIER -56.12 -40.16 73.33 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-O 121.881 0.848 . . . . 0.0 108.766 178.673 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 101' ' ' ALA . . . . . 0.754 ' HB3' ' O ' ' B' ' 98' ' ' GLU . . . -52.04 -41.37 62.23 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.087 -1.415 . . . . 0.0 111.821 179.512 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 102' ' ' LEU . . . . . 0.651 HD13 HD23 ' A' ' 25' ' ' LEU . 0.4 OUTLIER -123.69 35.9 4.75 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 113.087 0.773 . . . . 0.0 113.087 -177.282 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 103' ' ' THR . . . . . 0.644 HG23 HD12 ' B' ' 102' ' ' LEU . 43.6 p -152.17 -31.77 0.15 Allowed 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 179.405 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 73.4 25.49 2.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.102 0.477 . . . . 0.0 110.175 -179.123 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 105' ' ' SER . . . . . 0.451 ' CB ' ' CZ ' ' A' ' 21' ' ' TYR . 0.1 OUTLIER -60.34 -19.24 54.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.322 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 4.5 t 78.06 129.84 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.915 0.388 . . . . 0.0 110.641 -179.555 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 107' ' ' GLU . . . . . 0.793 ' HA ' HD12 ' B' ' 110' ' ' LEU . 1.0 OUTLIER -56.84 -21.55 29.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.142 -179.703 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -61.89 -55.4 30.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.092 0.472 . . . . 0.0 110.21 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 109' ' ' ASP . . . . . 0.69 ' O ' HD12 ' B' ' 113' ' ' LEU . 91.4 m-20 -63.8 -35.25 79.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.994 179.068 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 110' ' ' LEU . . . . . 0.915 HD11 ' HB2' ' B' ' 100' ' ' HIS . 42.2 mt -65.53 -41.61 92.92 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.414 179.247 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -59.95 -43.39 95.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.575 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 112' ' ' PHE . . . . . 0.853 ' O ' HG23 ' B' ' 116' ' ' VAL . 1.2 t80 -60.51 -47.25 86.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.409 179.646 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 113' ' ' LEU . . . . . 0.708 HD11 ' CD1' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -71.11 -29.91 65.85 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.177 179.368 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 114' ' ' HIS . . . . . 0.651 ' O ' ' HG2' ' B' ' 118' ' ' GLN . 70.7 t60 -58.49 -45.29 89.0 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 178.801 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 115' ' ' SER . . . . . 0.507 ' HA ' ' HG2' ' B' ' 118' ' ' GLN . 45.0 m -74.2 -35.0 63.91 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.746 178.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 116' ' ' VAL . . . . . 0.853 HG23 ' O ' ' B' ' 112' ' ' PHE . 53.4 t -56.79 -24.98 20.84 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.328 178.234 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 117' ' ' PHE . . . . . 0.737 ' HB3' HG12 ' B' ' 89' ' ' VAL . 11.2 m-30 -106.07 -13.82 15.35 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.91 179.681 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 118' ' ' GLN . . . . . 0.651 ' HG2' ' O ' ' B' ' 114' ' ' HIS . 4.2 mm100 -67.59 -44.37 78.31 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.969 0.414 . . . . 0.0 110.666 179.234 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -38.93 131.78 1.34 Allowed 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.345 -178.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -76.26 -44.12 38.71 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.357 179.45 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 15.7 m-70 -56.04 -33.74 65.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.136 179.231 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 122' ' ' LEU . . . . . 0.774 HD22 ' O ' ' B' ' 116' ' ' VAL . 47.1 tp -55.66 -43.92 76.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.73 179.254 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 123' ' ' HIS . . . . . 0.828 ' HA ' HD12 ' B' ' 126' ' ' LEU . 31.8 m170 -56.45 -27.56 57.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.997 178.629 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 124' ' ' THR . . . . . 0.418 HG22 ' CD1' ' B' ' 128' ' ' LEU . 6.5 m -77.38 -31.42 54.25 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.299 179.449 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 125' ' ' LEU . . . . . 0.759 HD12 HD12 ' B' ' 122' ' ' LEU . 18.7 mt -67.82 -40.88 83.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.912 179.733 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 126' ' ' LEU . . . . . 0.828 HD12 ' HA ' ' B' ' 123' ' ' HIS . 0.3 OUTLIER -72.93 -44.35 61.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.139 -179.768 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -59.47 -50.12 75.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.109 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 128' ' ' LEU . . . . . 0.918 HD21 ' CD2' ' C' ' 59' ' ' TYR . 31.9 mt -64.13 -42.69 96.74 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.118 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 129' ' ' TYR . . . . . 0.508 ' O ' HD23 ' A' ' 48' ' ' LEU . 0.4 OUTLIER -55.88 -51.04 68.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.301 -179.312 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 130' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -75.14 -19.42 59.89 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.295 -179.597 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 131' ' ' LYS . . . . . 0.409 ' O ' HG22 ' B' ' 134' ' ' THR . 0.1 OUTLIER -72.73 -51.27 19.9 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.82 0.343 . . . . 0.0 110.615 179.719 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 132' ' ' ILE . . . . . 0.981 HG23 ' HB1' ' C' ' 51' ' ' ALA . 2.4 mt -70.54 -35.48 61.78 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 CA-C-O 121.18 0.514 . . . . 0.0 110.357 179.547 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 133' ' ' ASN . . . . . . . . . . . . . 44.7 t-20 -61.49 -24.96 66.95 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.459 -0.792 . . . . 0.0 111.105 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 134' ' ' THR . . . . . 0.451 ' O ' ' CB ' ' B' ' 135' ' ' LYS . 0.5 OUTLIER -81.27 3.91 22.32 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.207 -179.927 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 135' ' ' LYS . . . . . 0.451 ' CB ' ' O ' ' B' ' 134' ' ' THR . 5.8 mttp 86.69 -20.22 0.24 Allowed 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 122.622 0.369 . . . . 0.0 111.693 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.268 0 CA-C-O 120.788 0.328 . . . . 0.0 110.892 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.234 0 CA-C-O 120.776 0.322 . . . . 0.0 110.286 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -62.33 -35.86 80.39 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-O 121.133 0.492 . . . . 0.0 109.85 179.23 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -76.76 -27.34 55.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.095 179.055 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 10' ' ' ASP . . . . . 0.549 ' HB3' HG22 ' D' ' 116' ' ' VAL . 1.2 m-20 -79.74 -33.19 40.99 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.516 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 11' ' ' THR . . . . . 0.413 HG22 ' HE1' ' C' ' 44' ' ' PHE . 3.1 p -74.05 -40.22 62.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.448 179.629 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 12' ' ' GLN . . . . . 0.611 ' HA ' HD23 ' C' ' 15' ' ' LEU . 0.0 OUTLIER -71.71 -37.82 70.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.307 179.564 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.61 -25.65 59.38 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.052 179.09 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 14' ' ' ALA . . . . . 0.833 ' CB ' HG11 ' D' ' 116' ' ' VAL . . . -78.69 -50.21 11.81 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.755 179.069 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 15' ' ' LEU . . . . . 0.809 ' HA ' HD12 ' C' ' 18' ' ' LEU . 0.4 OUTLIER -64.81 -28.29 69.47 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.782 179.617 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 16' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -73.16 -45.76 54.71 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 178.588 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 17' ' ' LEU . . . . . 0.879 HD22 ' CE1' ' C' ' 21' ' ' TYR . 1.6 mt -62.24 -36.1 80.96 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.193 178.343 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 18' ' ' LEU . . . . . 0.86 ' CD2' HG11 ' D' ' 92' ' ' VAL . 26.9 mt -62.29 -43.76 98.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.755 -1.111 . . . . 0.0 110.833 179.625 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -63.05 -38.57 91.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.811 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -74.1 -35.81 64.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.256 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 21' ' ' TYR . . . . . 0.879 ' CE1' HD22 ' C' ' 17' ' ' LEU . 14.2 m-30 -69.51 -46.32 66.82 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.02 179.501 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 22' ' ' ARG . . . . . 0.571 ' HA ' HD12 ' C' ' 37' ' ' ILE . 1.1 ttt-85 -55.07 -51.05 67.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.825 179.676 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 38.0 m -56.37 -43.67 79.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.776 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 24' ' ' LYS . . . . . 0.426 ' O ' HG22 ' D' ' 103' ' ' THR . 8.6 ptmt -89.49 3.87 50.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.548 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 25' ' ' LEU . . . . . 0.95 HD12 HD11 ' C' ' 37' ' ' ILE . 0.3 OUTLIER -92.35 -68.75 0.78 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.864 0.364 . . . . 0.0 111.301 -179.755 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 26' ' ' SER . . . . . 0.514 ' HB2' ' HB2' ' C' ' 34' ' ' ARG . 30.1 t -62.42 -150.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.907 -179.232 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 27' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 57.51 24.23 10.08 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 121.104 0.478 . . . . 0.0 109.991 -179.276 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 28' ' ' THR . . . . . 0.6 HG23 ' N ' ' C' ' 29' ' ' GLU . 6.5 t -149.73 -56.19 0.18 Allowed 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.892 -179.343 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 29' ' ' GLU . . . . . 0.6 ' N ' HG23 ' C' ' 28' ' ' THR . 13.1 pt-20 -176.67 28.47 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.629 -179.524 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 30' ' ' ASP . . . . . 0.452 ' CB ' HD22 ' C' ' 25' ' ' LEU . 4.9 m-20 -141.53 54.14 1.52 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.029 0.443 . . . . 0.0 111.089 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.51 -52.96 48.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.082 179.56 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 -56.89 -53.03 62.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.848 179.04 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 33' ' ' LEU . . . . . 0.844 HD21 ' HB3' ' D' ' 95' ' ' SER . 10.0 tp -51.03 -33.53 25.69 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.882 178.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 34' ' ' ARG . . . . . 0.514 ' HB2' ' HB2' ' C' ' 26' ' ' SER . 9.1 ttp180 -60.54 -45.98 91.87 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.524 178.862 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 1.8 m -59.58 -33.05 70.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.42 179.376 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 36' ' ' SER . . . . . 0.401 ' O ' ' CG ' ' C' ' 39' ' ' ARG . 58.8 m -65.78 -51.29 60.25 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.965 0.412 . . . . 0.0 110.799 179.765 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 37' ' ' ILE . . . . . 0.95 HD11 HD12 ' C' ' 25' ' ' LEU . 33.3 mt -57.83 -41.18 79.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.291 0.567 . . . . 0.0 109.892 179.184 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.37 -52.14 66.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 114.943 -1.026 . . . . 0.0 111.962 -179.689 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 39' ' ' ARG . . . . . 0.862 ' NH1' HE22 ' D' ' 91' ' ' GLN . 4.7 ptp180 -55.91 -42.08 75.49 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.403 -179.566 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 40' ' ' VAL . . . . . 0.651 HG12 ' CD2' ' C' ' 44' ' ' PHE . 78.7 t -60.81 -33.13 54.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 178.474 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 41' ' ' ILE . . . . . 0.684 HD11 ' HB3' ' C' ' 18' ' ' LEU . 13.2 mm -61.98 -60.62 2.42 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.142 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 179.411 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 19.7 p -58.0 -45.88 86.12 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.642 -179.46 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 43' ' ' ILE . . . . . 0.907 HG23 ' CE2' ' D' ' 129' ' ' TYR . 12.7 mt -59.62 -33.81 53.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.866 179.244 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 44' ' ' PHE . . . . . 0.729 ' HB3' HD22 ' C' ' 15' ' ' LEU . 0.2 OUTLIER -72.54 -59.13 2.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.581 179.686 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 45' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -73.64 -6.58 47.63 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.103 -178.575 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 46' ' ' SER . . . . . 0.49 ' CB ' ' CE1' ' D' ' 129' ' ' TYR . 0.2 OUTLIER -48.81 135.63 14.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.771 0.32 . . . . 0.0 111.034 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -56.43 -29.47 61.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.299 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 48' ' ' LEU . . . . . 0.788 HD12 ' HB3' ' C' ' 51' ' ' ALA . 3.5 tp -79.4 -40.72 29.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.934 0.397 . . . . 0.0 110.754 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 49' ' ' PHE . . . . . 0.673 ' CE2' HD11 ' C' ' 53' ' ' ILE . 7.2 t80 -53.48 -31.77 47.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.213 0.53 . . . . 0.0 110.5 179.467 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -74.55 -25.64 59.44 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 178.44 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 51' ' ' ALA . . . . . 0.981 ' HB1' HG23 ' B' ' 132' ' ' ILE . . . -66.58 -53.85 29.95 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 115.35 -0.841 . . . . 0.0 112.298 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 52' ' ' LEU . . . . . 0.661 ' H ' HD13 ' C' ' 52' ' ' LEU . 0.0 OUTLIER -72.72 -32.79 65.99 Favored 'General case' 0 N--CA 1.462 0.162 0 C-N-CA 119.593 -0.843 . . . . 0.0 111.103 -179.702 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 53' ' ' ILE . . . . . 0.855 HG12 HD13 ' D' ' 125' ' ' LEU . 56.3 mt -60.71 -37.18 75.21 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.249 178.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -73.03 -42.2 63.4 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.669 179.503 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 55' ' ' ILE . . . . . 0.732 HG22 ' HB2' ' C' ' 59' ' ' TYR . 60.5 mt -57.68 -33.98 46.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.768 179.718 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 56' ' ' GLN . . . . . 0.759 HE22 ' HB3' ' D' ' 121' ' ' HIS . 1.3 mt-30 -53.37 -21.85 6.49 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.723 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 57' ' ' GLU . . . . . 0.407 ' O ' ' CD2' ' C' ' 58' ' ' PHE . 45.5 mt-10 -43.89 -38.01 3.15 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.736 0.303 . . . . 0.0 111.517 -179.69 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 58' ' ' PHE . . . . . 0.407 ' CD2' ' O ' ' C' ' 57' ' ' GLU . 81.5 m-85 -158.12 35.61 0.25 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.428 -179.792 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 59' ' ' TYR . . . . . 0.918 ' CD2' HD21 ' B' ' 128' ' ' LEU . 23.1 m-85 -137.4 80.18 1.79 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.754 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 60' ' ' GLU . . . . . 0.496 ' HB2' ' HB ' ' A' ' 62' ' ' THR . 37.5 mt-10 -72.33 99.34 2.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.813 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 61' ' ' VAL . . . . . 0.472 ' CG2' HG21 ' D' ' 124' ' ' THR . 0.0 OUTLIER -72.86 96.78 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 CA-C-O 120.906 0.384 . . . . 0.0 110.922 179.881 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 62' ' ' THR . . . . . 0.415 ' HB ' ' HB2' ' A' ' 60' ' ' GLU . 2.7 m -73.63 118.38 16.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.498 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 63' ' ' LEU . . . . . 0.797 HD11 ' CE2' ' A' ' 59' ' ' TYR . 0.1 OUTLIER -89.49 124.62 34.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.0 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 64' ' ' LEU . . . . . 0.744 ' N ' HD23 ' C' ' 64' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.395 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.382 179.639 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 82' ' ' LEU . . . . . 0.632 HD12 ' C ' ' D' ' 82' ' ' LEU . 3.1 pp . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 83' ' ' LEU . . . . . 1.069 HD23 ' H ' ' D' ' 84' ' ' ALA . 0.6 OUTLIER -62.21 -44.24 97.01 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.821 179.046 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D ' 84' ' ' ALA . . . . . 1.069 ' H ' HD23 ' D' ' 83' ' ' LEU . . . -71.6 -26.02 62.41 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 114.799 -1.091 . . . . 0.0 110.579 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 85' ' ' ALA . . . . . 0.978 ' HB1' ' CB ' ' D' ' 126' ' ' LEU . . . -52.46 -26.55 13.16 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.175 179.607 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 86' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -123.18 -44.18 2.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.648 178.564 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 87' ' ' ARG . . . . . 0.734 ' HB3' ' O ' ' D' ' 83' ' ' LEU . 27.4 ttt85 -57.91 -54.76 43.23 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.98 178.839 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 88' ' ' ALA . . . . . 0.74 ' HB3' ' O ' ' D' ' 84' ' ' ALA . . . -56.95 -44.29 82.4 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.976 -1.011 . . . . 0.0 111.18 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 89' ' ' VAL . . . . . 0.862 HG13 ' CD1' ' D' ' 117' ' ' PHE . 53.1 t -61.49 -32.18 52.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.716 179.738 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 31.0 t -76.21 -28.35 57.18 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.469 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 91' ' ' GLN . . . . . 0.862 HE22 ' NH1' ' C' ' 39' ' ' ARG . 16.4 mt-30 -71.39 -51.42 24.17 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-O 121.16 0.505 . . . . 0.0 109.805 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 92' ' ' VAL . . . . . 0.86 HG11 ' CD2' ' C' ' 18' ' ' LEU . 3.8 t -67.75 -28.13 40.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.103 179.317 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 93' ' ' LEU . . . . . 0.738 HD21 ' HA ' ' D' ' 114' ' ' HIS . 2.1 mt -66.81 -41.18 87.95 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.187 179.665 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.85 -30.82 28.38 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.977 0.418 . . . . 0.0 110.918 -179.633 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 95' ' ' SER . . . . . 0.844 ' HB3' HD21 ' C' ' 33' ' ' LEU . 15.4 m -80.27 -25.54 39.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.966 -0.561 . . . . 0.0 112.087 -179.361 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 96' ' ' LEU . . . . . 0.889 HD22 HD22 ' D' ' 110' ' ' LEU . 0.2 OUTLIER -38.06 -52.2 1.4 Allowed 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -179.002 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 63.0 mt-10 -69.36 -29.07 66.79 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.912 0.387 . . . . 0.0 111.05 -179.334 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 98' ' ' GLU . . . . . 0.814 ' O ' ' HB3' ' D' ' 101' ' ' ALA . 0.1 OUTLIER -69.35 -34.58 74.81 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 177.769 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D ' 99' ' ' ILE . . . . . 0.679 HG23 HG21 ' D' ' 103' ' ' THR . 38.1 mt -62.34 -50.04 81.51 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.829 0 CA-C-N 114.426 -1.261 . . . . 0.0 110.012 178.555 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 100' ' ' HIS . . . . . 0.896 ' HB2' HD11 ' D' ' 110' ' ' LEU . 0.2 OUTLIER -55.84 -33.66 64.72 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 178.218 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D ' 101' ' ' ALA . . . . . 0.814 ' HB3' ' O ' ' D' ' 98' ' ' GLU . . . -57.57 -45.69 84.88 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 114.39 -1.277 . . . . 0.0 111.97 179.397 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 102' ' ' LEU . . . . . 0.803 HD21 ' OE2' ' D' ' 98' ' ' GLU . 0.4 OUTLIER -117.53 26.5 9.68 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.793 -177.532 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D ' 103' ' ' THR . . . . . 0.694 HG23 HD12 ' D' ' 102' ' ' LEU . 31.4 p -141.1 -31.77 0.58 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.714 0.292 . . . . 0.0 111.512 179.626 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 4.5 t0 67.9 27.46 7.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.908 0.385 . . . . 0.0 110.536 -179.474 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 105' ' ' SER . . . . . 0.423 ' HB3' ' CZ ' ' C' ' 21' ' ' TYR . 11.1 m -53.73 -77.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.79 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 106' ' ' SER . . . . . . . . . . . . . 6.5 t 167.95 104.86 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.417 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -47.38 -31.97 4.5 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.885 0.374 . . . . 0.0 110.601 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 7.7 mmmt -67.26 -47.19 71.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.692 178.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 109' ' ' ASP . . . . . 0.695 ' O ' HD12 ' D' ' 113' ' ' LEU . 47.1 m-20 -63.59 -34.72 78.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.791 179.007 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 110' ' ' LEU . . . . . 0.896 HD11 ' HB2' ' D' ' 100' ' ' HIS . 22.2 mt -62.61 -42.99 99.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.073 179.108 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 111' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -61.3 -41.97 97.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.531 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 112' ' ' PHE . . . . . 0.499 ' O ' HG23 ' D' ' 116' ' ' VAL . 0.7 OUTLIER -58.61 -44.25 89.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.165 179.683 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D ' 113' ' ' LEU . . . . . 0.695 HD12 ' O ' ' D' ' 109' ' ' ASP . 0.5 OUTLIER -70.22 -34.05 72.42 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.651 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D ' 114' ' ' HIS . . . . . 0.797 ' CD2' HD12 ' D' ' 96' ' ' LEU . 37.4 m170 -58.18 -35.03 70.99 Favored 'General case' 0 CA--C 1.517 -0.293 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 178.267 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 115' ' ' SER . . . . . 0.43 ' HA ' ' HB2' ' D' ' 118' ' ' GLN . 1.3 t -73.94 -38.15 64.35 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 108.887 -0.782 . . . . 0.0 108.887 178.579 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 116' ' ' VAL . . . . . 0.851 ' O ' HD22 ' D' ' 122' ' ' LEU . 54.9 t -59.16 -23.58 25.04 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.147 178.555 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 117' ' ' PHE . . . . . 0.862 ' CD1' HG13 ' D' ' 89' ' ' VAL . 44.3 m-85 -105.62 -30.96 9.16 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.436 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 118' ' ' GLN . . . . . 0.672 HE22 ' HB3' ' D' ' 114' ' ' HIS . 0.0 OUTLIER -60.98 -33.71 73.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.457 -179.207 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -45.44 118.8 1.87 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.488 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 120' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -63.32 -46.49 86.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.863 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 121' ' ' HIS . . . . . 0.759 ' HB3' HE22 ' C' ' 56' ' ' GLN . 48.9 m-70 -55.95 -34.33 65.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.588 179.705 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 122' ' ' LEU . . . . . 0.851 HD22 ' O ' ' D' ' 116' ' ' VAL . 28.4 tp -56.29 -47.61 78.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.063 179.481 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 123' ' ' HIS . . . . . 0.839 ' HA ' HD12 ' D' ' 126' ' ' LEU . 12.2 m-70 -52.44 -25.81 11.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.843 179.082 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 124' ' ' THR . . . . . 0.593 HG22 HD11 ' D' ' 128' ' ' LEU . 3.2 m -78.47 -34.36 47.69 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.511 178.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 125' ' ' LEU . . . . . 0.855 HD13 HG12 ' C' ' 53' ' ' ILE . 33.8 mt -66.5 -45.18 80.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.287 -0.87 . . . . 0.0 111.213 179.706 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 126' ' ' LEU . . . . . 0.978 ' CB ' ' HB1' ' D' ' 85' ' ' ALA . 0.1 OUTLIER -73.14 -37.1 66.74 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.821 -179.674 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D ' 127' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.07 -52.4 65.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.952 0.406 . . . . 0.0 110.873 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 128' ' ' LEU . . . . . 0.922 HD21 ' CD2' ' A' ' 59' ' ' TYR . 3.2 mt -73.09 -33.15 65.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.8 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 129' ' ' TYR . . . . . 0.907 ' CE2' HG23 ' C' ' 43' ' ' ILE . 0.6 OUTLIER -55.69 -51.9 65.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.154 -179.497 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D ' 130' ' ' ASP . . . . . 0.472 ' CB ' ' HB3' ' D' ' 82' ' ' LEU . 3.4 m-20 -75.75 -35.4 60.18 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.035 -179.748 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.77 -46.57 74.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.064 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 132' ' ' ILE . . . . . 0.579 ' HB ' HD21 ' C' ' 48' ' ' LEU . 3.1 mt -76.22 -40.06 35.86 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 CA-C-O 120.988 0.423 . . . . 0.0 110.586 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 133' ' ' ASN . . . . . . . . . . . . . 26.7 t30 . . . . . 0 C--N 1.326 -0.453 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.023 -179.626 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.709 ' O ' HG23 ' A' ' 11' ' ' THR . 2.2 mtm-85 . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.277 0.084 . . . . 0.0 111.082 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.628 ' HB3' HG21 ' A' ' 53' ' ' ILE . 0.0 OUTLIER -76.51 -25.8 54.58 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 179.103 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.7 mm100 -80.31 -34.57 36.67 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 177.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.746 ' HB3' HG22 ' B' ' 116' ' ' VAL . 1.1 m-20 -76.59 -30.05 56.82 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.152 179.241 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.709 HG23 ' O ' ' A' ' 7' ' ' ARG . 20.7 p -72.89 -44.21 61.56 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.648 179.537 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -68.12 -36.59 79.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.316 179.603 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -73.91 -25.28 59.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.041 179.045 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.923 ' CB ' HG11 ' B' ' 116' ' ' VAL . . . -78.24 -54.81 5.82 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.556 178.795 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.733 HD22 ' HB3' ' A' ' 44' ' ' PHE . 0.4 OUTLIER -60.49 -26.34 66.75 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.594 179.198 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -73.19 -46.27 51.54 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 178.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.898 HD22 ' CE1' ' A' ' 21' ' ' TYR . 5.5 mt -62.44 -34.97 77.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.377 178.685 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.795 HD22 HG11 ' B' ' 92' ' ' VAL . 44.8 mt -64.2 -41.37 97.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.572 179.518 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.26 -44.98 96.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.72 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -73.2 -33.61 65.49 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.995 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.898 ' CE1' HD22 ' A' ' 17' ' ' LEU . 9.4 m-30 -65.99 -47.01 75.94 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.763 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.46 ' HA ' HD13 ' A' ' 37' ' ' ILE . 4.0 ptt180 -62.99 -42.52 99.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.912 0.387 . . . . 0.0 110.534 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.1 m -59.71 -35.37 74.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.01 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.6 ptmt -95.42 -18.58 20.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.494 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.817 HD12 HD11 ' A' ' 37' ' ' ILE . 0.3 OUTLIER -70.42 -65.76 0.69 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.026 0.441 . . . . 0.0 111.047 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.51 ' HB3' ' HB2' ' A' ' 34' ' ' ARG . 1.5 p -58.99 -159.97 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.133 -179.627 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 59.72 29.19 18.75 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.608 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.662 HG23 ' H ' ' A' ' 29' ' ' GLU . 5.0 t -152.77 -59.25 0.14 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.181 -179.658 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.662 ' H ' HG23 ' A' ' 28' ' ' THR . 14.7 pt-20 -175.37 28.16 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.644 -179.347 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.428 ' CB ' HD22 ' A' ' 25' ' ' LEU . 4.9 m-20 -146.01 48.06 1.23 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.985 0.422 . . . . 0.0 111.113 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.3 mmt180 -58.38 -50.44 73.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.183 0.516 . . . . 0.0 110.149 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -57.52 -47.22 82.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.067 179.282 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.95 HD21 ' HB2' ' B' ' 95' ' ' SER . 7.0 tp -55.32 -29.72 58.82 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.031 179.273 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.735 ' HA ' HD12 ' A' ' 37' ' ' ILE . 5.8 ttp180 -66.4 -42.71 87.44 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 178.384 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.515 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 1.3 m -62.13 -27.84 69.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.945 -1.025 . . . . 0.0 111.069 179.51 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.595 ' HB3' ' NE2' ' B' ' 91' ' ' GLN . 0.2 OUTLIER -75.96 -44.7 38.59 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.282 0.563 . . . . 0.0 110.28 179.526 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.817 HD11 HD12 ' A' ' 25' ' ' LEU . 4.1 mt -64.13 -41.3 92.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.379 179.143 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.551 ' HA ' HG12 ' A' ' 41' ' ' ILE . 8.1 pt-20 -64.6 -43.73 92.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.013 -179.15 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.514 ' HG2' ' O ' ' A' ' 36' ' ' SER . 6.0 ptp180 -59.69 -38.77 82.44 Favored 'General case' 0 CA--C 1.52 -0.21 0 C-N-CA 120.198 -0.601 . . . . 0.0 109.615 179.677 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 36' ' ' SER . 95.0 t -60.91 -40.71 86.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 178.012 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.677 HD11 ' HB3' ' A' ' 18' ' ' LEU . 12.8 mm -53.97 -57.71 5.1 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.722 179.766 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.6 p -58.38 -47.7 83.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.953 0.406 . . . . 0.0 110.867 -179.105 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.903 HG23 ' CE2' ' B' ' 129' ' ' TYR . 11.0 mt -59.92 -34.78 57.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.053 179.279 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.733 ' HB3' HD22 ' A' ' 15' ' ' LEU . 1.3 m-85 -72.29 -56.23 5.85 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.943 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.453 ' OE1' HG22 ' A' ' 41' ' ' ILE . 20.6 pt20 -78.64 -2.64 40.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.64 -179.204 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.536 ' HG ' ' HE1' ' B' ' 129' ' ' TYR . 0.2 OUTLIER -48.2 134.2 14.66 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.904 0.383 . . . . 0.0 110.884 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -52.15 -33.96 42.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.392 -179.54 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.852 ' O ' HD12 ' A' ' 48' ' ' LEU . 1.2 tp -79.77 -44.69 20.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.44 -179.766 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.819 ' CE1' HD11 ' A' ' 53' ' ' ILE . 37.4 t80 -50.24 -52.94 31.9 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 121.011 -0.276 . . . . 0.0 110.866 -179.202 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.554 ' OE1' HD12 ' A' ' 53' ' ' ILE . 23.5 mm-40 -60.27 -36.38 77.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.894 0.378 . . . . 0.0 110.044 179.212 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' A' ' 48' ' ' LEU . . . -58.63 -43.06 89.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.157 179.294 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.722 HD13 ' O ' ' B' ' 125' ' ' LEU . 0.5 OUTLIER -60.9 -43.7 98.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.723 178.885 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.819 HD11 ' CE1' ' A' ' 49' ' ' PHE . 35.0 mt -54.22 -36.91 34.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.269 179.112 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.03 -31.86 64.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.518 179.467 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.658 HG22 ' HB2' ' A' ' 59' ' ' TYR . 68.5 mt -68.97 -46.42 78.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.919 179.728 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -52.93 -21.75 4.73 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.581 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -46.09 -35.72 5.19 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.136 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.411 ' HA ' ' HG ' ' C' ' 64' ' ' LEU . 12.9 m-85 -152.37 21.44 0.64 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.66 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.962 ' CD2' HD21 ' D' ' 128' ' ' LEU . 34.9 m-85 -127.21 64.42 1.32 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.6 179.502 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.408 ' HB2' ' HB ' ' C' ' 62' ' ' THR . 1.6 mm-40 -50.74 94.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.414 -179.617 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.613 HG23 HG21 ' B' ' 124' ' ' THR . 0.2 OUTLIER -76.93 107.44 8.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.966 179.694 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.529 HG22 ' HB2' ' C' ' 60' ' ' GLU . 0.4 OUTLIER -95.77 130.26 42.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.716 -179.854 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.41 HD11 ' CZ ' ' C' ' 59' ' ' TYR . 0.1 OUTLIER -91.54 133.03 35.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.594 179.724 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.615 HD23 ' N ' ' A' ' 64' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.953 -179.762 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 82' ' ' LEU . . . . . 0.701 HD22 ' HB2' ' B' ' 130' ' ' ASP . 0.3 OUTLIER . . . . . 0 N--CA 1.455 -0.214 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 83' ' ' LEU . . . . . 0.949 HD23 ' H ' ' B' ' 84' ' ' ALA . 0.5 OUTLIER -87.23 -41.34 13.78 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 114.308 -1.315 . . . . 0.0 110.96 -179.622 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 0.949 ' H ' HD23 ' B' ' 83' ' ' LEU . . . -76.48 -20.93 56.48 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.208 -0.905 . . . . 0.0 112.205 -178.085 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 85' ' ' ALA . . . . . 0.844 ' HB1' ' HB3' ' B' ' 126' ' ' LEU . . . -52.69 -24.91 9.51 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.227 0.537 . . . . 0.0 110.059 179.387 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -125.05 -44.64 1.9 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.636 178.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 87' ' ' ARG . . . . . 0.646 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 12.1 ttt85 -57.8 -49.65 75.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.36 179.077 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 88' ' ' ALA . . . . . 0.855 ' HB2' ' HB1' ' B' ' 84' ' ' ALA . . . -57.75 -44.73 86.29 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.575 -179.121 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 89' ' ' VAL . . . . . 0.503 HG12 ' HB3' ' B' ' 117' ' ' PHE . 34.6 t -63.58 -30.32 49.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.56 179.613 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 13.0 t -75.46 -28.18 59.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.128 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 91' ' ' GLN . . . . . 0.602 ' HG3' ' O ' ' B' ' 87' ' ' ARG . 2.3 mt-30 -69.54 -53.28 19.76 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 179.475 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 92' ' ' VAL . . . . . 0.795 HG11 HD22 ' A' ' 18' ' ' LEU . 3.2 t -65.63 -28.1 43.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.791 178.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 93' ' ' LEU . . . . . 0.754 HD21 ' HA ' ' B' ' 114' ' ' HIS . 2.7 mt -66.24 -38.43 87.87 Favored 'General case' 0 C--O 1.23 0.068 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.455 179.666 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -80.2 -38.62 30.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.988 0.423 . . . . 0.0 110.797 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 95' ' ' SER . . . . . 0.95 ' HB2' HD21 ' A' ' 33' ' ' LEU . 2.2 p -79.58 -21.4 45.07 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.573 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 96' ' ' LEU . . . . . 1.085 HD22 HD22 ' B' ' 110' ' ' LEU . 0.2 OUTLIER -34.83 -52.95 0.55 Allowed 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -179.162 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -70.18 -29.35 66.21 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.285 -179.291 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 98' ' ' GLU . . . . . 0.79 ' O ' ' HB3' ' B' ' 101' ' ' ALA . 0.4 OUTLIER -70.12 -34.1 72.67 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 177.874 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 99' ' ' ILE . . . . . 0.556 ' O ' HG23 ' B' ' 103' ' ' THR . 19.3 mt -62.55 -49.17 84.9 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.869 0 CA-C-N 114.513 -1.221 . . . . 0.0 109.817 178.624 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 100' ' ' HIS . . . . . 0.775 ' HB2' HD11 ' B' ' 110' ' ' LEU . 0.2 OUTLIER -57.01 -34.85 68.58 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 178.187 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 101' ' ' ALA . . . . . 0.79 ' HB3' ' O ' ' B' ' 98' ' ' GLU . . . -54.29 -46.1 72.68 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 114.562 -1.199 . . . . 0.0 111.557 179.298 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 102' ' ' LEU . . . . . 0.659 HD12 HG23 ' B' ' 103' ' ' THR . 0.4 OUTLIER -116.94 33.38 5.64 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.443 -0.798 . . . . 0.0 112.465 -177.766 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 103' ' ' THR . . . . . 0.659 HG23 HD12 ' B' ' 102' ' ' LEU . 43.5 p -147.85 -32.86 0.26 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 111.675 0.25 . . . . 0.0 111.675 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 1.6 t0 74.77 25.6 1.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.038 0.447 . . . . 0.0 110.545 -179.289 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 105' ' ' SER . . . . . 0.452 ' HB3' ' CZ ' ' A' ' 21' ' ' TYR . 3.7 m -65.12 -12.1 47.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.459 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 106' ' ' SER . . . . . 0.411 ' CB ' ' O ' ' B' ' 105' ' ' SER . 1.6 p 80.62 123.34 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.886 0.374 . . . . 0.0 110.965 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -55.73 -31.02 62.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.939 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 19.0 mmtt -54.41 -53.51 53.07 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.093 0.473 . . . . 0.0 110.316 179.497 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 109' ' ' ASP . . . . . 0.625 ' O ' HD12 ' B' ' 113' ' ' LEU . 4.7 m-20 -62.05 -40.17 94.84 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.859 179.167 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 110' ' ' LEU . . . . . 1.085 HD22 HD22 ' B' ' 96' ' ' LEU . 28.5 mt -59.71 -39.81 85.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.351 179.221 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 111' ' ' ASP . . . . . 0.432 ' HA ' ' HD2' ' B' ' 114' ' ' HIS . 82.8 m-20 -62.5 -44.91 95.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.773 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 112' ' ' PHE . . . . . 0.567 ' O ' HG23 ' B' ' 116' ' ' VAL . 0.8 OUTLIER -58.29 -38.79 77.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.424 179.758 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 113' ' ' LEU . . . . . 0.716 HD11 ' CD1' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -74.94 -28.16 60.48 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.005 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 114' ' ' HIS . . . . . 0.754 ' HA ' HD21 ' B' ' 93' ' ' LEU . 0.0 OUTLIER -64.13 -35.77 81.84 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 178.666 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 2.8 m -76.23 -37.66 57.42 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 178.581 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 116' ' ' VAL . . . . . 0.923 HG11 ' CB ' ' A' ' 14' ' ' ALA . 41.0 t -62.43 -24.7 35.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.915 178.463 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 117' ' ' PHE . . . . . 0.63 ' CZ ' HD11 ' A' ' 18' ' ' LEU . 20.7 m-85 -98.95 -34.28 10.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.74 -0.663 . . . . 0.0 111.144 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 118' ' ' GLN . . . . . 0.512 ' NE2' ' ND1' ' B' ' 114' ' ' HIS . 0.0 OUTLIER -63.63 -28.51 69.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.227 -179.479 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -44.91 114.14 0.67 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.558 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -60.72 -43.88 97.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.748 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 121' ' ' HIS . . . . . 0.415 ' O ' ' HG ' ' B' ' 125' ' ' LEU . 8.7 m170 -57.11 -34.63 68.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.636 179.766 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 122' ' ' LEU . . . . . 0.91 HD12 HD12 ' B' ' 125' ' ' LEU . 38.5 tp -56.16 -49.06 75.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.507 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 123' ' ' HIS . . . . . 0.989 ' HA ' HD12 ' B' ' 126' ' ' LEU . 16.6 m170 -54.34 -26.36 29.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.074 179.071 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 124' ' ' THR . . . . . 0.613 HG21 HG23 ' A' ' 61' ' ' VAL . 1.4 m -74.26 -37.19 63.81 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 178.803 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 125' ' ' LEU . . . . . 0.91 HD12 HD12 ' B' ' 122' ' ' LEU . 4.0 mt -71.89 -33.85 68.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.479 178.584 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 126' ' ' LEU . . . . . 0.989 HD12 ' HA ' ' B' ' 123' ' ' HIS . 4.3 mt -73.13 -50.1 24.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.965 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -59.69 -53.37 58.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.105 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 128' ' ' LEU . . . . . 0.927 HD21 ' CD2' ' C' ' 59' ' ' TYR . 17.6 mt -62.53 -34.93 77.9 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.549 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 129' ' ' TYR . . . . . 0.903 ' CE2' HG23 ' A' ' 43' ' ' ILE . 0.9 OUTLIER -56.05 -50.45 70.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.964 -179.838 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 130' ' ' ASP . . . . . 0.701 ' HB2' HD22 ' B' ' 82' ' ' LEU . 0.0 OUTLIER -75.42 -34.33 61.02 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.028 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.94 -49.68 70.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.231 -179.673 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 132' ' ' ILE . . . . . 0.66 HD12 ' O ' ' B' ' 128' ' ' LEU . 2.7 mt -75.02 -39.39 44.17 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.433 0 CA-C-O 120.798 0.333 . . . . 0.0 110.879 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 133' ' ' ASN . . . . . 0.428 ' HB2' ' O ' ' B' ' 129' ' ' TYR . 0.2 OUTLIER -60.68 -25.61 66.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.966 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 134' ' ' THR . . . . . 0.649 HG22 ' O ' ' B' ' 134' ' ' THR . 58.6 m -95.12 33.22 1.56 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.078 0.466 . . . . 0.0 111.159 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 2.5 mttm -142.5 -40.15 0.34 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.235 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 81.1 p . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.172 -179.933 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 7' ' ' ARG . . . . . 0.45 ' HA ' ' OD2' ' C' ' 10' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.159 0 CA-C-O 120.518 0.199 . . . . 0.0 110.67 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 8' ' ' LYS . . . . . 0.813 ' HG2' HG21 ' C' ' 53' ' ' ILE . 2.5 mttm -67.06 -30.62 70.72 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 121.194 0.521 . . . . 0.0 110.026 178.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 -80.32 -30.41 38.12 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.292 179.402 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 10' ' ' ASP . . . . . 0.504 ' OD1' ' N ' ' C' ' 11' ' ' THR . 13.9 p30 -83.94 -28.84 27.54 Favored 'General case' 0 C--N 1.333 -0.136 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.136 179.367 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 11' ' ' THR . . . . . 0.504 ' N ' ' OD1' ' C' ' 10' ' ' ASP . 13.3 p -73.35 -40.3 64.51 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.903 178.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.3 -49.16 58.5 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.109 179.161 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.06 -23.8 67.28 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.991 178.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 14' ' ' ALA . . . . . 0.73 ' CB ' HG11 ' D' ' 116' ' ' VAL . . . -78.28 -54.2 6.48 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.831 179.177 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 15' ' ' LEU . . . . . 0.917 HD22 ' HB3' ' C' ' 44' ' ' PHE . 0.5 OUTLIER -67.13 -28.55 68.23 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.464 179.496 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 16' ' ' HIS . . . . . . . . . . . . . 22.2 t-80 -68.81 -44.31 73.78 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 178.273 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 17' ' ' LEU . . . . . 0.73 HD22 ' CE1' ' C' ' 21' ' ' TYR . 3.5 mt -65.79 -34.37 78.02 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.299 178.33 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 18' ' ' LEU . . . . . 0.926 ' CD2' HG11 ' D' ' 92' ' ' VAL . 20.1 mt -62.55 -50.33 71.78 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.873 179.738 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 19' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' C' ' 20' ' ' GLU . 5.4 pt-20 -60.72 -33.98 73.71 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.702 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 20' ' ' GLU . . . . . 0.41 ' N ' ' HG3' ' C' ' 19' ' ' GLU . 47.5 mt-10 -75.07 -37.27 61.66 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-O 121.117 0.484 . . . . 0.0 110.011 179.287 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 21' ' ' TYR . . . . . 0.73 ' CE1' HD22 ' C' ' 17' ' ' LEU . 16.2 m-30 -67.23 -47.37 70.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.433 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 22' ' ' ARG . . . . . 0.46 ' HG3' ' N ' ' C' ' 23' ' ' SER . 0.1 OUTLIER -59.18 -43.28 92.17 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.805 0.335 . . . . 0.0 110.467 179.465 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 23' ' ' SER . . . . . 0.46 ' N ' ' HG3' ' C' ' 22' ' ' ARG . 3.6 m -59.7 -35.81 75.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.363 179.412 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 24' ' ' LYS . . . . . 0.454 ' O ' HG22 ' D' ' 103' ' ' THR . 7.6 ptmt -100.48 6.05 44.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.262 179.671 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 25' ' ' LEU . . . . . 0.891 HD12 HD11 ' C' ' 37' ' ' ILE . 0.3 OUTLIER -95.72 -67.02 0.87 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.914 0.388 . . . . 0.0 111.227 -179.638 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 26' ' ' SER . . . . . 0.541 ' HB3' ' HB2' ' C' ' 34' ' ' ARG . 1.8 p -59.89 -159.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.166 -179.292 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 27' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 59.05 29.58 19.17 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.496 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 28' ' ' THR . . . . . 0.689 HG23 ' H ' ' C' ' 29' ' ' GLU . 4.4 t -151.73 -60.64 0.17 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.285 -179.461 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 29' ' ' GLU . . . . . 0.689 ' H ' HG23 ' C' ' 28' ' ' THR . 17.2 pt-20 -174.19 28.8 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.721 -179.154 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 30' ' ' ASP . . . . . 0.606 ' HB2' HD22 ' C' ' 25' ' ' LEU . 4.0 m-20 -149.25 49.83 0.96 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.904 0.383 . . . . 0.0 111.078 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.99 -55.01 37.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.349 0.595 . . . . 0.0 110.572 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 3.9 tm0? -52.44 -48.26 65.89 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.45 -0.795 . . . . 0.0 109.93 179.122 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 33' ' ' LEU . . . . . 0.821 HD21 ' HB2' ' D' ' 95' ' ' SER . 9.2 tp -54.43 -34.37 61.25 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.96 178.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 34' ' ' ARG . . . . . 0.541 ' HB2' ' HB3' ' C' ' 26' ' ' SER . 5.3 ttp180 -60.88 -43.46 98.4 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.434 178.794 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.48 -35.83 74.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.238 179.228 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 36' ' ' SER . . . . . 0.418 ' O ' ' HG2' ' C' ' 39' ' ' ARG . 67.4 m -62.36 -51.81 66.11 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.598 179.711 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 37' ' ' ILE . . . . . 0.891 HD11 HD12 ' C' ' 25' ' ' LEU . 7.6 mt -58.57 -41.84 83.07 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.325 0 CA-C-O 121.397 0.618 . . . . 0.0 109.389 178.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -58.29 -52.07 67.14 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.786 -1.097 . . . . 0.0 112.017 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 39' ' ' ARG . . . . . 0.926 ' NH1' HE22 ' D' ' 91' ' ' GLN . 6.0 ptp180 -55.74 -37.78 68.93 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.396 -0.522 . . . . 0.0 110.236 -179.607 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 40' ' ' VAL . . . . . 0.586 HG12 ' CD2' ' C' ' 44' ' ' PHE . 64.4 t -64.87 -33.61 64.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 178.289 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 41' ' ' ILE . . . . . 0.833 HD11 ' CB ' ' C' ' 18' ' ' LEU . 44.4 mm -68.41 -60.13 2.86 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.132 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.175 179.501 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 20.3 p -53.63 -46.72 70.58 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.053 0.454 . . . . 0.0 110.333 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 43' ' ' ILE . . . . . 0.453 HG23 ' CE2' ' D' ' 129' ' ' TYR . 15.8 mt -60.07 -33.14 52.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.705 178.817 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 44' ' ' PHE . . . . . 0.917 ' HB3' HD22 ' C' ' 15' ' ' LEU . 0.4 OUTLIER -72.53 -58.72 3.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.711 179.49 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 45' ' ' GLN . . . . . 0.535 ' OE1' HG22 ' C' ' 41' ' ' ILE . 38.9 mt-30 -62.89 -22.37 66.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.61 -0.723 . . . . 0.0 112.162 -178.637 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 46' ' ' SER . . . . . 0.432 ' CB ' ' CE1' ' D' ' 129' ' ' TYR . 0.2 OUTLIER -41.13 156.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.91 0.386 . . . . 0.0 111.744 -179.378 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -79.53 -33.51 41.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.463 -179.383 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 48' ' ' LEU . . . . . 0.783 HD12 ' HA ' ' D' ' 129' ' ' TYR . 0.4 OUTLIER -69.35 -45.91 68.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.993 0.425 . . . . 0.0 110.124 179.879 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 49' ' ' PHE . . . . . 0.87 ' CE2' HD11 ' C' ' 53' ' ' ILE . 68.7 t80 -51.48 -56.01 15.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.233 -179.608 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -54.76 -38.8 67.64 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.596 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 51' ' ' ALA . . . . . 0.451 ' CB ' HG23 ' B' ' 132' ' ' ILE . . . -58.87 -46.32 88.07 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.459 179.522 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 52' ' ' LEU . . . . . 0.456 HD12 HD12 ' C' ' 48' ' ' LEU . 2.3 mt -60.12 -45.09 94.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.201 179.327 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 53' ' ' ILE . . . . . 0.87 HD11 ' CE2' ' C' ' 49' ' ' PHE . 59.3 mt -55.09 -35.77 36.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.42 179.493 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.34 -39.16 81.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.063 179.288 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 55' ' ' ILE . . . . . 0.791 HG22 ' HB2' ' C' ' 59' ' ' TYR . 78.0 mt -57.73 -42.32 81.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.637 179.406 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 56' ' ' GLN . . . . . 0.486 ' OE1' HD21 ' D' ' 125' ' ' LEU . 1.0 OUTLIER -53.73 -23.34 11.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.457 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 57' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -49.19 -31.34 8.32 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.307 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 58' ' ' PHE . . . . . 0.48 ' HA ' ' HG ' ' A' ' 64' ' ' LEU . 48.7 m-85 -154.37 25.85 0.47 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.477 -0.328 . . . . 0.0 111.637 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 59' ' ' TYR . . . . . 0.927 ' CD2' HD21 ' B' ' 128' ' ' LEU . 68.8 m-85 -137.7 107.7 6.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.85 179.659 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 60' ' ' GLU . . . . . 0.529 ' HB2' HG22 ' A' ' 62' ' ' THR . 4.3 mm-40 -90.2 98.41 11.75 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.58 179.698 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 61' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -72.56 96.62 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.002 0.43 . . . . 0.0 110.632 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 62' ' ' THR . . . . . 0.408 ' HB ' ' HB2' ' A' ' 60' ' ' GLU . 18.0 m -81.13 123.71 28.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.62 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 63' ' ' LEU . . . . . 0.642 HD11 ' CZ ' ' A' ' 59' ' ' TYR . 5.7 tp -94.99 121.23 36.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.953 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 64' ' ' LEU . . . . . 0.769 ' N ' HD23 ' C' ' 64' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.638 179.776 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 82' ' ' LEU . . . . . 0.846 ' N ' HD23 ' D' ' 82' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 121.037 0.446 . . . . 0.0 110.263 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 83' ' ' LEU . . . . . 0.862 HD23 ' H ' ' D' ' 84' ' ' ALA . 0.3 OUTLIER -67.83 -40.64 83.73 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.18 -179.922 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 84' ' ' ALA . . . . . 0.996 ' HB1' ' HB2' ' D' ' 88' ' ' ALA . . . -93.31 -17.49 23.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.53 -0.759 . . . . 0.0 112.042 -178.805 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 85' ' ' ALA . . . . . 0.85 ' HB1' ' HB2' ' D' ' 126' ' ' LEU . . . -52.0 -23.43 5.14 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.157 0.503 . . . . 0.0 110.566 -179.679 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 86' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -126.05 -38.4 2.17 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.587 178.679 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 87' ' ' ARG . . . . . 0.749 ' HB3' ' O ' ' D' ' 83' ' ' LEU . 35.2 ttt180 -62.99 -53.11 59.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.144 178.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 88' ' ' ALA . . . . . 0.996 ' HB2' ' HB1' ' D' ' 84' ' ' ALA . . . -57.77 -43.91 85.82 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.971 179.722 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 89' ' ' VAL . . . . . 0.618 HG12 ' HB3' ' D' ' 117' ' ' PHE . 38.9 t -72.03 -35.02 52.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.457 179.28 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 90' ' ' SER . . . . . 0.407 ' HA ' ' HB2' ' D' ' 93' ' ' LEU . 8.2 m -75.26 -26.09 58.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.371 179.081 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 91' ' ' GLN . . . . . 0.926 HE22 ' NH1' ' C' ' 39' ' ' ARG . 73.0 mt-30 -66.89 -57.29 7.25 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-O 121.369 0.604 . . . . 0.0 109.526 179.289 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 92' ' ' VAL . . . . . 0.926 HG11 ' CD2' ' C' ' 18' ' ' LEU . 9.4 t -65.02 -27.83 43.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.063 -0.971 . . . . 0.0 109.933 179.222 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 93' ' ' LEU . . . . . 0.786 HD21 ' HA ' ' D' ' 114' ' ' HIS . 3.4 mt -66.74 -35.28 79.73 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.485 179.627 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -87.14 -34.42 19.09 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.716 0.293 . . . . 0.0 111.493 -179.278 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 95' ' ' SER . . . . . 0.821 ' HB2' HD21 ' C' ' 33' ' ' LEU . 2.9 p -79.6 -20.75 46.15 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.888 -179.428 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 96' ' ' LEU . . . . . 0.722 HD13 ' HB3' ' D' ' 110' ' ' LEU . 0.1 OUTLIER -38.04 -50.58 1.36 Allowed 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -179.234 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -69.16 -31.82 70.73 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.058 -179.093 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 98' ' ' GLU . . . . . 0.807 ' OE2' HD21 ' D' ' 102' ' ' LEU . 0.0 OUTLIER -68.87 -34.91 76.23 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 177.864 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 99' ' ' ILE . . . . . 0.579 HG23 HG21 ' D' ' 103' ' ' THR . 26.9 mt -60.69 -50.1 81.83 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.792 0 CA-C-N 114.454 -1.248 . . . . 0.0 110.174 178.726 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 100' ' ' HIS . . . . . 0.775 ' HB2' HD11 ' D' ' 110' ' ' LEU . 1.0 OUTLIER -54.59 -39.12 67.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 122.018 0.913 . . . . 0.0 108.645 178.316 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 101' ' ' ALA . . . . . 0.797 ' HB3' ' O ' ' D' ' 98' ' ' GLU . . . -52.39 -45.79 65.99 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 113.748 -1.569 . . . . 0.0 112.194 179.633 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 102' ' ' LEU . . . . . 0.807 HD21 ' OE2' ' D' ' 98' ' ' GLU . 0.4 OUTLIER -117.67 25.33 10.47 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 -177.381 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 103' ' ' THR . . . . . 0.698 HG23 HD12 ' D' ' 102' ' ' LEU . 31.3 p -142.26 -29.64 0.58 Allowed 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.974 -0.29 . . . . 0.0 111.617 179.611 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 37.9 t70 64.79 28.53 12.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.991 0.424 . . . . 0.0 110.078 -179.238 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 105' ' ' SER . . . . . 0.439 ' HB3' ' CE1' ' C' ' 21' ' ' TYR . 0.1 OUTLIER -49.46 -83.1 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.178 -179.894 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 106' ' ' SER . . . . . . . . . . . . . 5.3 t 165.87 109.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.144 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 107' ' ' GLU . . . . . 0.673 ' HA ' HD12 ' D' ' 110' ' ' LEU . 0.1 OUTLIER -49.01 -38.06 22.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.882 0.372 . . . . 0.0 110.786 -179.833 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.47 -46.14 91.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.103 0.477 . . . . 0.0 109.963 179.201 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 109' ' ' ASP . . . . . 0.807 ' O ' HD12 ' D' ' 113' ' ' LEU . 7.2 m-20 -69.08 -31.78 70.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.829 178.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 110' ' ' LEU . . . . . 0.775 HD11 ' HB2' ' D' ' 100' ' ' HIS . 86.2 mt -67.41 -44.91 77.68 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.233 179.396 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 111' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.93 -38.37 90.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.51 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 112' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -61.67 -43.87 98.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.353 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 113' ' ' LEU . . . . . 0.807 HD12 ' O ' ' D' ' 109' ' ' ASP . 0.4 OUTLIER -70.79 -38.75 73.37 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.825 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 114' ' ' HIS . . . . . 0.786 ' HA ' HD21 ' D' ' 93' ' ' LEU . 0.0 OUTLIER -58.71 -33.68 70.46 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 178.96 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 115' ' ' SER . . . . . . . . . . . . . 23.9 p -72.66 -36.93 68.08 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 177.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 116' ' ' VAL . . . . . 0.749 ' O ' HD22 ' D' ' 122' ' ' LEU . 3.5 t -62.71 -30.74 50.06 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 CA-C-N 115.208 -0.905 . . . . 0.0 109.273 178.047 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 117' ' ' PHE . . . . . 0.636 ' CZ ' HD11 ' C' ' 18' ' ' LEU . 13.6 m-30 -93.59 -26.92 16.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.516 -179.632 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 118' ' ' GLN . . . . . 0.41 ' HB2' ' O ' ' D' ' 114' ' ' HIS . 0.4 OUTLIER -69.15 -30.61 68.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.838 0.352 . . . . 0.0 111.158 -179.56 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -45.25 115.24 0.88 Allowed 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.372 -179.714 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 120' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -60.33 -35.67 76.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.823 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 121' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -64.9 -34.96 79.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.823 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 122' ' ' LEU . . . . . 0.865 ' O ' HD12 ' D' ' 126' ' ' LEU . 28.1 tp -56.54 -50.21 72.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.326 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 123' ' ' HIS . . . . . 0.444 ' HA ' HD13 ' D' ' 126' ' ' LEU . 13.7 m170 -51.79 -27.88 13.66 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.13 0.491 . . . . 0.0 110.228 178.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 124' ' ' THR . . . . . 0.747 HG22 HD11 ' D' ' 128' ' ' LEU . 3.9 m -74.73 -35.51 62.67 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 115.641 -0.708 . . . . 0.0 109.869 179.36 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 125' ' ' LEU . . . . . 0.486 HD21 ' OE1' ' C' ' 56' ' ' GLN . 16.2 mt -63.64 -44.83 92.7 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.78 179.683 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 126' ' ' LEU . . . . . 0.865 HD12 ' O ' ' D' ' 122' ' ' LEU . 2.6 mp -67.04 -42.93 83.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.811 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 127' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -59.7 -53.25 60.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.9 179.605 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 128' ' ' LEU . . . . . 0.962 HD21 ' CD2' ' A' ' 59' ' ' TYR . 4.1 mt -69.79 -29.37 66.67 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.256 179.514 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 129' ' ' TYR . . . . . 0.783 ' HA ' HD12 ' C' ' 48' ' ' LEU . 4.8 t80 -55.15 -52.28 63.78 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.18 -179.398 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 130' ' ' ASP . . . . . 0.502 ' HB3' ' CD2' ' D' ' 82' ' ' LEU . 7.5 t70 -77.03 -32.15 56.79 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.172 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 131' ' ' LYS . . . . . . . . . . . . . 7.8 tttt -54.57 -51.51 65.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.934 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 132' ' ' ILE . . . . . 0.729 ' CG2' HD13 ' A' ' 48' ' ' LEU . 3.0 mt -77.72 -42.7 29.28 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 CA-C-O 120.981 0.42 . . . . 0.0 110.781 179.746 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 133' ' ' ASN . . . . . . . . . . . . . 58.3 t-20 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.748 -179.976 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.416 HH21 HG22 ' B' ' 116' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.87 -38.06 84.28 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 121.084 0.469 . . . . 0.0 110.004 179.202 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -75.94 -32.26 59.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.228 179.402 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 -75.42 -32.2 60.62 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.235 179.697 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.6 p -71.57 -47.15 56.82 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.253 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.541 ' HA ' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -63.19 -36.75 84.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.897 0.38 . . . . 0.0 110.189 179.597 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 -72.96 -25.52 61.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.177 179.111 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.796 ' CB ' HG11 ' B' ' 116' ' ' VAL . . . -78.21 -55.39 5.3 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 109.543 -0.539 . . . . 0.0 109.543 179.149 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.807 ' O ' HD12 ' A' ' 41' ' ' ILE . 0.4 OUTLIER -61.08 -28.67 69.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.21 179.477 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 18.4 t-160 -73.64 -44.47 56.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.123 0.487 . . . . 0.0 109.848 179.267 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.856 HD22 ' CZ ' ' A' ' 21' ' ' TYR . 1.3 mt -61.76 -49.5 76.15 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.703 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 1.065 HD22 HG11 ' B' ' 92' ' ' VAL . 1.1 mt -61.77 -32.87 73.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.296 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.456 ' CG ' HG21 ' A' ' 41' ' ' ILE . 5.5 mt-10 -58.7 -48.07 82.38 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.182 0.515 . . . . 0.0 110.12 179.033 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -70.91 -31.72 68.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.873 179.13 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.856 ' CZ ' HD22 ' A' ' 17' ' ' LEU . 16.5 m-30 -64.83 -47.53 77.65 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.762 179.715 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.421 ' HB3' HG21 ' A' ' 37' ' ' ILE . 0.9 OUTLIER -61.31 -41.87 97.71 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.757 0.313 . . . . 0.0 110.464 179.753 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 52.1 p -57.05 -38.92 73.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.276 179.244 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.9 ptmt -98.87 1.07 45.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.586 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 1.005 HD12 HD11 ' A' ' 37' ' ' ILE . 0.1 OUTLIER -89.2 -67.17 0.86 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.964 0.412 . . . . 0.0 111.258 -179.641 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.493 ' HB3' ' HB2' ' A' ' 34' ' ' ARG . 2.2 p -59.85 -159.24 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.122 -179.49 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.409 ' OE1' ' NH1' ' A' ' 31' ' ' ARG . 1.6 mp0 59.43 28.54 17.94 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 120.962 0.41 . . . . 0.0 110.619 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.701 HG23 ' H ' ' A' ' 29' ' ' GLU . 4.3 t -150.02 -60.49 0.2 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.201 -179.625 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.701 ' H ' HG23 ' A' ' 28' ' ' THR . 22.3 pt-20 -173.66 27.86 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.613 -0.722 . . . . 0.0 111.648 -179.256 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.507 ' HB2' HD22 ' A' ' 25' ' ' LEU . 6.5 m-20 -147.53 54.85 1.07 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.034 0.445 . . . . 0.0 110.87 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.409 ' NH1' ' OE1' ' A' ' 27' ' ' GLN . 0.4 OUTLIER -64.84 -48.75 73.2 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.881 179.52 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.84 -47.32 83.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.831 178.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.58 HD21 ' CB ' ' B' ' 95' ' ' SER . 9.0 tp -54.97 -35.06 63.89 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.035 179.027 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.493 ' HB2' ' HB3' ' A' ' 26' ' ' SER . 6.4 ttp180 -60.55 -43.72 96.92 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.417 178.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.46 ' HA ' ' HG2' ' A' ' 38' ' ' GLU . 1.0 OUTLIER -61.02 -33.5 73.36 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.329 179.141 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.511 ' HB3' ' HB3' ' B' ' 91' ' ' GLN . 0.6 OUTLIER -66.8 -45.7 77.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.297 0.57 . . . . 0.0 110.424 179.51 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 1.005 HD11 HD12 ' A' ' 25' ' ' LEU . 58.4 mt -59.22 -49.57 82.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.753 179.647 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.528 ' HA ' HG12 ' A' ' 41' ' ' ILE . 7.2 pt-20 -59.89 -33.25 71.6 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.525 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.488 ' HB3' ' HB1' ' B' ' 88' ' ' ALA . 10.8 mtt180 -55.65 -53.11 60.55 Favored 'General case' 0 CA--C 1.516 -0.357 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 178.566 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.661 HG11 ' CZ ' ' B' ' 117' ' ' PHE . 61.7 t -60.02 -30.24 45.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.0 178.816 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.807 HD12 ' O ' ' A' ' 15' ' ' LEU . 9.4 mm -70.02 -58.12 6.32 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-N 116.094 -0.503 . . . . 0.0 112.314 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.2 p -61.35 -46.65 89.35 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-O 120.891 0.377 . . . . 0.0 110.919 -178.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.795 HG23 ' CE2' ' B' ' 129' ' ' TYR . 14.0 mt -59.73 -34.2 54.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.37 179.508 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.792 ' HB3' HD22 ' A' ' 15' ' ' LEU . 2.2 m-85 -72.35 -56.53 5.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.512 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.454 ' HG2' ' O ' ' A' ' 41' ' ' ILE . 21.3 pt20 -79.29 -0.51 32.69 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -177.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.495 ' CB ' ' CE1' ' B' ' 129' ' ' TYR . 0.2 OUTLIER -50.57 165.18 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.826 0.346 . . . . 0.0 111.077 -179.849 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -77.8 -41.69 36.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.199 -179.636 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.923 HD12 ' HA ' ' B' ' 129' ' ' TYR . 0.6 OUTLIER -70.08 -47.1 63.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.458 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.918 ' CE2' HD11 ' A' ' 53' ' ' ILE . 55.7 t80 -51.25 -56.12 14.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.911 -179.53 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -54.87 -48.49 72.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.013 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.67 -35.83 77.23 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.228 0.537 . . . . 0.0 110.506 179.601 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.88 HD11 ' HA ' ' B' ' 125' ' ' LEU . 0.0 OUTLIER -70.04 -39.44 75.72 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.91 179.48 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.918 HD11 ' CE2' ' A' ' 49' ' ' PHE . 59.2 mt -58.25 -35.86 55.27 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 178.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -66.17 -41.12 90.77 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.246 178.465 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.612 HD11 HG12 ' D' ' 132' ' ' ILE . 77.1 mt -53.49 -40.54 41.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.508 179.003 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -55.68 -20.07 12.91 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.584 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.411 ' O ' ' CG ' ' A' ' 58' ' ' PHE . 13.3 pt-20 -43.53 -34.64 1.42 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.739 0.304 . . . . 0.0 111.334 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.411 ' CG ' ' O ' ' A' ' 57' ' ' GLU . 68.1 m-85 -158.79 27.74 0.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.262 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.942 ' CD2' HD21 ' D' ' 128' ' ' LEU . 10.8 m-85 -132.88 77.12 1.72 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.877 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.406 ' HB2' ' HB ' ' C' ' 62' ' ' THR . 1.4 mt-10 -67.11 94.48 0.35 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.672 0.272 . . . . 0.0 110.63 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.711 HG12 HG13 ' C' ' 61' ' ' VAL . 0.2 OUTLIER -72.57 106.44 2.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.92 0.39 . . . . 0.0 111.267 -179.885 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.5 m -91.92 118.51 30.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.409 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.506 HD11 ' OH ' ' C' ' 59' ' ' TYR . 0.2 OUTLIER -90.53 127.38 36.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.826 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.742 HD23 ' N ' ' A' ' 64' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.991 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 82' ' ' LEU . . . . . 0.816 HD23 ' N ' ' B' ' 82' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.455 -0.191 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 83' ' ' LEU . . . . . 1.004 HD23 ' H ' ' B' ' 84' ' ' ALA . 0.3 OUTLIER -64.95 -48.6 73.51 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.353 179.891 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 1.004 ' H ' HD23 ' B' ' 83' ' ' LEU . . . -71.01 -24.68 62.42 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.921 -179.56 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 85' ' ' ALA . . . . . 0.927 ' HB1' ' HB2' ' B' ' 126' ' ' LEU . . . -53.03 -25.34 12.08 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.244 179.632 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -124.97 -43.64 1.96 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.435 178.705 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 87' ' ' ARG . . . . . 0.711 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 14.1 ttt180 -58.7 -51.02 71.72 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.003 178.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 88' ' ' ALA . . . . . 0.721 ' HB3' ' O ' ' B' ' 84' ' ' ALA . . . -61.81 -45.55 93.35 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.954 179.57 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 89' ' ' VAL . . . . . 0.567 HG13 ' CD2' ' B' ' 117' ' ' PHE . 32.3 t -58.43 -56.08 18.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.053 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.91 -21.08 66.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.17 179.685 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 91' ' ' GLN . . . . . 0.511 ' HB3' ' HB3' ' A' ' 36' ' ' SER . 0.3 OUTLIER -67.24 -58.02 5.62 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-O 121.262 0.553 . . . . 0.0 110.314 -179.933 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 92' ' ' VAL . . . . . 1.065 HG11 HD22 ' A' ' 18' ' ' LEU . 6.4 t -68.25 -27.44 37.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.176 179.45 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 93' ' ' LEU . . . . . 0.703 HD11 ' HB2' ' B' ' 117' ' ' PHE . 0.7 OUTLIER -70.9 -28.94 64.9 Favored 'General case' 0 CA--C 1.528 0.1 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.199 179.85 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -84.82 -44.57 13.15 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.879 0.371 . . . . 0.0 111.232 -179.242 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 95' ' ' SER . . . . . 0.58 ' CB ' HD21 ' A' ' 33' ' ' LEU . 0.6 OUTLIER -80.5 -13.95 58.66 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.064 -0.516 . . . . 0.0 112.157 -179.243 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 96' ' ' LEU . . . . . 0.978 HD22 HD22 ' B' ' 110' ' ' LEU . 0.2 OUTLIER -38.78 -52.5 1.71 Allowed 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -179.331 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -70.77 -28.01 64.36 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.061 -179.224 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 98' ' ' GLU . . . . . 0.816 ' O ' ' HB3' ' B' ' 101' ' ' ALA . 0.1 OUTLIER -69.67 -34.15 73.58 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 177.78 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 99' ' ' ILE . . . . . 0.607 HG23 HG21 ' B' ' 103' ' ' THR . 61.6 mt -62.75 -49.53 83.32 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.911 0 CA-C-N 114.586 -1.188 . . . . 0.0 109.808 178.471 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 100' ' ' HIS . . . . . 0.922 ' HB2' HD11 ' B' ' 110' ' ' LEU . 0.3 OUTLIER -56.72 -32.43 65.51 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 178.077 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 101' ' ' ALA . . . . . 0.816 ' HB3' ' O ' ' B' ' 98' ' ' GLU . . . -58.3 -45.66 87.57 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.523 -1.217 . . . . 0.0 112.024 179.559 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 102' ' ' LEU . . . . . 0.662 HD12 HG23 ' B' ' 103' ' ' THR . 0.4 OUTLIER -116.68 26.03 10.14 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.696 -0.684 . . . . 0.0 112.707 -177.419 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 103' ' ' THR . . . . . 0.662 HG23 HD12 ' B' ' 102' ' ' LEU . 31.1 p -140.45 -30.46 0.66 Allowed 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 121.07 -0.252 . . . . 0.0 111.521 179.705 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 67.1 26.97 8.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.934 0.397 . . . . 0.0 110.516 -179.57 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 105' ' ' SER . . . . . 0.418 ' HB3' ' CE1' ' A' ' 21' ' ' TYR . 18.8 m -52.98 -77.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.683 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 6.5 t 167.32 105.16 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.366 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -47.45 -34.99 7.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.92 0.391 . . . . 0.0 110.515 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.08 -42.48 84.6 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.676 178.87 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 109' ' ' ASP . . . . . 0.637 ' O ' HD12 ' B' ' 113' ' ' LEU . 8.4 m-20 -64.13 -36.79 85.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.85 178.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 110' ' ' LEU . . . . . 0.978 HD22 HD22 ' B' ' 96' ' ' LEU . 33.5 mt -63.77 -37.84 88.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.854 179.123 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -62.76 -43.93 97.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.538 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 112' ' ' PHE . . . . . 0.651 ' O ' HG23 ' B' ' 116' ' ' VAL . 2.0 t80 -58.81 -47.27 85.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.191 179.499 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 113' ' ' LEU . . . . . 0.706 HD11 ' CD1' ' A' ' 17' ' ' LEU . 0.6 OUTLIER -70.07 -32.92 71.24 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.132 -0.485 . . . . 0.0 109.83 179.306 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 114' ' ' HIS . . . . . 0.69 ' O ' ' HG2' ' B' ' 118' ' ' GLN . 1.5 m-70 -53.86 -41.54 67.61 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 178.488 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 115' ' ' SER . . . . . 0.535 ' HA ' ' HG2' ' B' ' 118' ' ' GLN . 58.7 m -78.41 -33.9 48.37 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.34 179.117 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 116' ' ' VAL . . . . . 0.821 ' O ' HD22 ' B' ' 122' ' ' LEU . 52.0 t -56.11 -24.75 18.33 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.113 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 178.785 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 117' ' ' PHE . . . . . 0.703 ' HB2' HD11 ' B' ' 93' ' ' LEU . 0.6 OUTLIER -101.53 -26.75 13.44 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.49 179.926 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 118' ' ' GLN . . . . . 0.69 ' HG2' ' O ' ' B' ' 114' ' ' HIS . 12.2 mm100 -56.89 -44.43 82.28 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.086 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -37.32 125.77 1.02 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.17 -179.139 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.73 -46.17 63.53 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.472 179.634 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 121' ' ' HIS . . . . . 0.402 ' O ' ' HB ' ' B' ' 124' ' ' THR . 0.5 OUTLIER -55.79 -33.72 64.64 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.368 179.319 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 122' ' ' LEU . . . . . 0.821 HD22 ' O ' ' B' ' 116' ' ' VAL . 37.2 tp -55.7 -49.28 73.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.133 179.57 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 123' ' ' HIS . . . . . 0.574 ' HA ' ' CD1' ' B' ' 126' ' ' LEU . 0.0 OUTLIER -52.32 -28.5 19.47 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.102 0.477 . . . . 0.0 110.096 178.787 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 124' ' ' THR . . . . . 0.584 HG21 HG23 ' A' ' 61' ' ' VAL . 10.6 m -75.52 -32.15 60.39 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.793 179.208 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 125' ' ' LEU . . . . . 0.88 ' HA ' HD11 ' A' ' 52' ' ' LEU . 29.4 mt -64.92 -50.44 66.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.829 179.565 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 126' ' ' LEU . . . . . 0.927 ' HB2' ' HB1' ' B' ' 85' ' ' ALA . 1.0 OUTLIER -63.78 -41.85 97.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.064 -179.729 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -60.86 -51.21 70.26 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.902 0.382 . . . . 0.0 110.903 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 128' ' ' LEU . . . . . 0.942 HD21 ' CD2' ' C' ' 59' ' ' TYR . 48.2 mt -72.38 -29.95 64.24 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.512 179.639 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 129' ' ' TYR . . . . . 0.923 ' HA ' HD12 ' A' ' 48' ' ' LEU . 0.7 OUTLIER -55.73 -53.06 61.29 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.221 -179.371 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 130' ' ' ASP . . . . . 0.425 ' HB3' ' CD2' ' B' ' 82' ' ' LEU . 3.7 m-20 -77.91 -31.5 51.19 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.324 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.45 -49.38 70.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.77 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 132' ' ' ILE . . . . . 0.635 ' HB ' HD21 ' A' ' 48' ' ' LEU . 4.9 mt -78.15 -41.15 26.56 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 CA-C-O 121.003 0.43 . . . . 0.0 110.651 179.529 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 133' ' ' ASN . . . . . . . . . . . . . 44.9 t-20 -58.13 -25.68 61.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.937 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 134' ' ' THR . . . . . 0.507 HG22 ' O ' ' B' ' 134' ' ' THR . 95.7 m -83.4 0.32 46.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.195 179.764 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 135' ' ' LYS . . . . . 0.422 ' CB ' ' O ' ' B' ' 134' ' ' THR . 6.9 mttp 81.59 -14.19 0.82 Allowed 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.847 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 C--N 1.331 -0.213 0 CA-C-O 120.799 0.333 . . . . 0.0 111.18 179.959 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.95 -37.76 88.72 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 179.131 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -73.82 -30.97 62.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.841 178.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 10' ' ' ASP . . . . . 0.541 ' HB3' HG22 ' D' ' 116' ' ' VAL . 3.6 m-20 -78.53 -29.58 46.57 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.756 179.006 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 11' ' ' THR . . . . . 0.572 HG23 ' CD2' ' C' ' 44' ' ' PHE . 97.7 m -72.06 -49.6 35.21 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.427 179.575 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 12' ' ' GLN . . . . . 0.46 ' HA ' HD23 ' C' ' 15' ' ' LEU . 0.0 OUTLIER -67.28 -34.71 77.98 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.942 0.401 . . . . 0.0 110.049 179.431 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 13' ' ' ARG . . . . . 0.419 ' HG2' ' CE2' ' D' ' 112' ' ' PHE . 12.1 ttp180 -74.3 -25.46 59.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.869 179.054 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 14' ' ' ALA . . . . . 0.853 ' CB ' HG11 ' D' ' 116' ' ' VAL . . . -78.46 -54.96 5.6 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.625 178.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 15' ' ' LEU . . . . . 0.842 ' HA ' HD12 ' C' ' 18' ' ' LEU . 0.4 OUTLIER -61.93 -24.44 66.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.662 179.145 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 16' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -73.5 -47.87 37.73 Favored 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 178.707 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 17' ' ' LEU . . . . . 0.964 HD22 ' CE1' ' C' ' 21' ' ' TYR . 3.5 mt -61.76 -34.94 76.73 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.471 178.633 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 18' ' ' LEU . . . . . 0.916 ' CD2' HG11 ' D' ' 92' ' ' VAL . 63.3 mt -62.78 -47.58 82.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.715 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 19' ' ' GLU . . . . . 0.429 ' HG3' HD12 ' C' ' 41' ' ' ILE . 49.0 mt-10 -59.12 -40.25 84.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -74.79 -36.35 62.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.192 179.586 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 21' ' ' TYR . . . . . 0.964 ' CE1' HD22 ' C' ' 17' ' ' LEU . 10.6 m-30 -64.89 -46.83 80.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.521 179.741 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 22' ' ' ARG . . . . . 0.477 ' HA ' HD13 ' C' ' 37' ' ' ILE . 45.5 ptt85 -61.74 -44.9 96.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.6 179.758 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 23' ' ' SER . . . . . 0.415 ' N ' ' HG3' ' C' ' 22' ' ' ARG . 2.8 p -57.43 -34.71 69.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.689 179.7 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 24' ' ' LYS . . . . . 0.419 ' HG3' ' HB ' ' D' ' 103' ' ' THR . 5.1 ptmt -99.34 -7.65 25.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.586 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 25' ' ' LEU . . . . . 0.743 ' CD1' HD11 ' C' ' 37' ' ' ILE . 0.6 OUTLIER -82.46 -68.65 0.68 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.86 0.362 . . . . 0.0 110.927 -179.929 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 26' ' ' SER . . . . . 0.48 ' HB2' ' HB2' ' C' ' 34' ' ' ARG . 32.6 t -61.99 -150.99 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.719 -179.542 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 27' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 57.15 24.33 9.61 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 121.023 0.439 . . . . 0.0 110.106 -179.385 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 28' ' ' THR . . . . . 0.603 HG23 ' N ' ' C' ' 29' ' ' GLU . 7.7 t -150.35 -54.54 0.16 Allowed 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.706 -179.098 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 29' ' ' GLU . . . . . 0.603 ' N ' HG23 ' C' ' 28' ' ' THR . 12.5 pt-20 -175.81 28.11 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.573 -179.413 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 30' ' ' ASP . . . . . 0.51 ' CB ' HD22 ' C' ' 25' ' ' LEU . 1.7 m-20 -142.13 56.2 1.46 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.979 0.419 . . . . 0.0 111.035 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 -66.99 -53.05 35.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.11 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.17 -50.78 72.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.964 179.003 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 33' ' ' LEU . . . . . 0.593 HD11 ' CB ' ' D' ' 95' ' ' SER . 15.7 tp -53.42 -33.11 52.69 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.086 179.083 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 34' ' ' ARG . . . . . 0.693 ' HA ' HD12 ' C' ' 37' ' ' ILE . 6.4 ttp180 -60.4 -47.98 83.76 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.355 178.816 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 21.2 m -56.42 -34.8 67.12 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.458 179.05 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 36' ' ' SER . . . . . 0.494 ' O ' ' HG2' ' C' ' 39' ' ' ARG . 0.7 OUTLIER -64.66 -48.74 73.67 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 121.077 0.465 . . . . 0.0 110.481 179.583 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 37' ' ' ILE . . . . . 0.743 HD11 ' CD1' ' C' ' 25' ' ' LEU . 5.7 mt -60.97 -39.91 83.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.332 0.587 . . . . 0.0 109.584 178.836 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 38' ' ' GLU . . . . . 0.409 ' HA ' HG12 ' C' ' 41' ' ' ILE . 39.9 mt-10 -61.0 -51.23 70.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.897 -1.047 . . . . 0.0 111.833 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 39' ' ' ARG . . . . . 0.712 ' HG3' ' HB1' ' D' ' 88' ' ' ALA . 4.3 ptp85 -55.28 -41.46 72.31 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.581 -0.448 . . . . 0.0 110.118 -179.765 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 40' ' ' VAL . . . . . 0.431 ' O ' ' HB2' ' C' ' 44' ' ' PHE . 93.5 t -60.98 -36.99 76.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 178.344 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 41' ' ' ILE . . . . . 0.588 HD11 ' CB ' ' C' ' 18' ' ' LEU . 10.5 mm -58.53 -58.86 4.81 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.103 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.247 179.524 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 18.8 p -58.94 -46.58 87.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.899 0.38 . . . . 0.0 110.649 -179.48 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 43' ' ' ILE . . . . . 0.737 HG23 ' CE2' ' D' ' 129' ' ' TYR . 11.1 mt -59.79 -34.96 57.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.158 179.308 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 44' ' ' PHE . . . . . 0.659 ' HB3' HD22 ' C' ' 15' ' ' LEU . 1.5 m-85 -72.42 -55.56 6.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.091 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 45' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -77.23 -1.79 31.36 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 -178.684 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 46' ' ' SER . . . . . . . . . . . . . 1.4 t -54.73 131.66 44.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.811 0.338 . . . . 0.0 111.037 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -53.44 -32.74 51.2 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 48' ' ' LEU . . . . . 0.709 ' O ' ' HB3' ' C' ' 51' ' ' ALA . 0.2 OUTLIER -74.64 -48.52 25.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.773 179.435 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 49' ' ' PHE . . . . . 0.658 ' HZ ' HD11 ' D' ' 122' ' ' LEU . 47.1 t80 -50.46 -53.12 32.18 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.583 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 50' ' ' GLN . . . . . 0.441 HE21 ' HB3' ' C' ' 50' ' ' GLN . 2.1 mm100 -58.08 -24.74 59.74 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.054 0.454 . . . . 0.0 110.046 178.808 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 51' ' ' ALA . . . . . 0.709 ' HB3' ' O ' ' C' ' 48' ' ' LEU . . . -63.0 -53.56 52.01 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.929 179.761 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 52' ' ' LEU . . . . . 0.737 ' N ' HD13 ' C' ' 52' ' ' LEU . 0.0 OUTLIER -61.29 -44.03 97.9 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 120.236 -0.585 . . . . 0.0 110.365 179.824 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 53' ' ' ILE . . . . . 0.595 HG12 HD13 ' D' ' 125' ' ' LEU . 39.2 mt -51.49 -39.1 21.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-O 121.059 0.457 . . . . 0.0 110.306 179.481 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 54' ' ' ASP . . . . . 0.402 ' O ' ' CG ' ' C' ' 57' ' ' GLU . 3.3 t0 -73.46 -35.72 65.76 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.101 179.148 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 55' ' ' ILE . . . . . 0.637 HG22 ' HB2' ' C' ' 59' ' ' TYR . 41.5 mt -68.16 -32.33 55.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.862 179.618 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.38 -20.12 4.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.926 -179.772 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 57' ' ' GLU . . . . . 0.403 ' O ' ' CD1' ' C' ' 58' ' ' PHE . 0.2 OUTLIER -44.02 -46.64 8.48 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 111.712 0.264 . . . . 0.0 111.712 -179.618 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 58' ' ' PHE . . . . . 0.415 ' HB3' ' HG ' ' A' ' 64' ' ' LEU . 74.2 m-85 -152.55 40.02 0.58 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.683 0.277 . . . . 0.0 111.489 -179.609 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 59' ' ' TYR . . . . . 0.942 ' CD2' HD21 ' B' ' 128' ' ' LEU . 51.7 m-85 -134.13 80.53 1.87 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.735 179.64 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -71.96 104.14 3.43 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.629 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 61' ' ' VAL . . . . . 0.711 HG13 HG12 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -85.37 96.48 4.98 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 CA-C-O 120.909 0.385 . . . . 0.0 110.724 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 62' ' ' THR . . . . . 0.406 ' HB ' ' HB2' ' A' ' 60' ' ' GLU . 15.7 m -71.72 113.16 8.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.084 179.503 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 63' ' ' LEU . . . . . 0.868 HD11 ' CE2' ' A' ' 59' ' ' TYR . 3.5 mp -86.25 126.1 34.04 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 -179.66 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 64' ' ' LEU . . . . . 0.786 ' N ' HD23 ' C' ' 64' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.327 -0.411 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.476 179.728 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 82' ' ' LEU . . . . . 0.913 ' N ' HD23 ' D' ' 82' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.456 -0.15 0 CA-C-O 120.847 0.356 . . . . 0.0 110.803 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 83' ' ' LEU . . . . . 0.986 HD23 ' H ' ' D' ' 84' ' ' ALA . 0.2 OUTLIER -67.37 -47.72 69.56 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.4 -179.662 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D ' 84' ' ' ALA . . . . . 1.043 ' HB1' ' HB2' ' D' ' 88' ' ' ALA . . . -84.87 -17.37 38.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.54 -0.754 . . . . 0.0 111.51 -179.33 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 85' ' ' ALA . . . . . 0.839 ' O ' HD13 ' D' ' 126' ' ' LEU . . . -51.81 -24.52 6.17 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.345 -0.542 . . . . 0.0 109.749 179.283 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 86' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -126.88 -36.69 2.18 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.004 178.547 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 87' ' ' ARG . . . . . 0.751 ' HB3' ' O ' ' D' ' 83' ' ' LEU . 19.4 ttt85 -67.5 -41.53 84.34 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.577 179.479 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 88' ' ' ALA . . . . . 1.043 ' HB2' ' HB1' ' D' ' 84' ' ' ALA . . . -66.22 -43.02 87.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.445 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 89' ' ' VAL . . . . . 0.814 HG13 ' CD1' ' D' ' 117' ' ' PHE . 64.7 t -70.41 -46.46 70.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.099 179.018 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 90' ' ' SER . . . . . 0.422 ' HA ' ' HB2' ' D' ' 93' ' ' LEU . 37.9 t -65.41 -25.09 67.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.537 179.193 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 91' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -67.5 -56.91 7.66 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.64 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 92' ' ' VAL . . . . . 0.916 HG11 ' CD2' ' C' ' 18' ' ' LEU . 6.4 t -67.37 -28.1 41.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.016 179.089 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 93' ' ' LEU . . . . . 0.784 HD21 ' HA ' ' D' ' 114' ' ' HIS . 1.6 mt -64.29 -36.22 83.41 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.017 179.385 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -84.61 -35.11 22.93 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.865 0.364 . . . . 0.0 110.995 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 95' ' ' SER . . . . . 0.593 ' CB ' HD11 ' C' ' 33' ' ' LEU . 0.1 OUTLIER -80.24 -26.43 39.06 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.104 -0.498 . . . . 0.0 112.13 -179.335 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D ' 96' ' ' LEU . . . . . 0.975 HD22 HD22 ' D' ' 110' ' ' LEU . 0.2 OUTLIER -34.71 -52.3 0.52 Allowed 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 112.581 0.585 . . . . 0.0 112.581 -178.806 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -69.86 -30.39 67.84 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.911 0.386 . . . . 0.0 111.007 -179.206 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 98' ' ' GLU . . . . . 0.813 ' OE2' HD21 ' D' ' 102' ' ' LEU . 0.0 OUTLIER -68.99 -33.96 74.52 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 177.546 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D ' 99' ' ' ILE . . . . . 0.574 ' O ' HG23 ' D' ' 103' ' ' THR . 4.8 mt -61.57 -49.54 83.98 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.761 0 CA-C-N 114.47 -1.241 . . . . 0.0 110.079 178.554 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 100' ' ' HIS . . . . . 0.861 ' HB2' HD11 ' D' ' 110' ' ' LEU . 0.2 OUTLIER -57.68 -33.39 68.3 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 178.472 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D ' 101' ' ' ALA . . . . . 0.788 ' HB3' ' O ' ' D' ' 98' ' ' GLU . . . -57.07 -45.26 83.43 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 114.529 -1.214 . . . . 0.0 111.962 179.47 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 102' ' ' LEU . . . . . 0.813 HD21 ' OE2' ' D' ' 98' ' ' GLU . 0.4 OUTLIER -117.74 30.96 6.97 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.617 -0.72 . . . . 0.0 112.671 -177.423 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D ' 103' ' ' THR . . . . . 0.692 HG23 HD12 ' D' ' 102' ' ' LEU . 31.2 p -145.83 -34.02 0.32 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.638 0.256 . . . . 0.0 111.393 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 70.9 27.2 3.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.783 0.325 . . . . 0.0 110.402 -179.537 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 105' ' ' SER . . . . . . . . . . . . . 11.3 m -53.8 -76.88 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.733 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 106' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 166.84 103.91 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.424 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -47.34 -30.87 3.46 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.862 0.363 . . . . 0.0 110.535 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 11.4 mmtm -69.0 -44.7 72.27 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 178.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 109' ' ' ASP . . . . . 0.603 ' O ' HD12 ' D' ' 113' ' ' LEU . 1.2 m-20 -64.52 -36.06 82.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.678 178.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 110' ' ' LEU . . . . . 0.975 HD22 HD22 ' D' ' 96' ' ' LEU . 27.1 mt -62.08 -39.9 93.98 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.003 179.146 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 111' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.16 -41.43 97.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.472 179.672 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 112' ' ' PHE . . . . . 0.437 ' O ' HG23 ' D' ' 116' ' ' VAL . 2.0 t80 -58.56 -42.53 88.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.211 179.508 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 113' ' ' LEU . . . . . 0.703 HD11 ' CD1' ' C' ' 17' ' ' LEU . 0.5 OUTLIER -72.82 -32.87 65.82 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.57 179.821 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D ' 114' ' ' HIS . . . . . 0.93 ' CD2' HD12 ' D' ' 96' ' ' LEU . 41.2 m170 -58.12 -34.98 70.82 Favored 'General case' 0 CA--C 1.516 -0.331 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 178.169 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 115' ' ' SER . . . . . 0.403 ' HA ' ' HB2' ' D' ' 118' ' ' GLN . 65.9 m -74.28 -38.56 63.36 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.215 178.734 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 116' ' ' VAL . . . . . 0.853 HG11 ' CB ' ' C' ' 14' ' ' ALA . 54.2 t -60.6 -23.7 29.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.965 178.473 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 117' ' ' PHE . . . . . 0.814 ' CD1' HG13 ' D' ' 89' ' ' VAL . 28.8 m-85 -103.37 -30.43 10.6 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.197 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 118' ' ' GLN . . . . . 0.66 HE22 ' HB3' ' D' ' 114' ' ' HIS . 0.0 OUTLIER -63.57 -32.08 73.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.447 -179.12 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D ' 119' ' ' ASP . . . . . 0.4 ' HB3' ' HB2' ' D' ' 122' ' ' LEU . 1.1 t70 -43.89 122.69 2.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.578 -179.494 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 120' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.23 -47.57 79.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.92 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 121' ' ' HIS . . . . . 0.416 ' O ' ' HB ' ' D' ' 124' ' ' THR . 10.4 m170 -55.2 -33.2 62.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.669 179.771 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 122' ' ' LEU . . . . . 0.839 HD22 ' O ' ' D' ' 116' ' ' VAL . 51.1 tp -55.68 -44.7 77.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.92 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 123' ' ' HIS . . . . . 1.045 ' HA ' HD12 ' D' ' 126' ' ' LEU . 0.0 OUTLIER -59.79 -23.31 63.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.951 0.405 . . . . 0.0 110.025 179.362 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D ' 124' ' ' THR . . . . . 0.667 HG21 ' CG2' ' C' ' 61' ' ' VAL . 19.4 m -77.8 -34.73 52.04 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.822 -0.627 . . . . 0.0 109.694 178.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 125' ' ' LEU . . . . . 0.818 HD12 HD12 ' D' ' 122' ' ' LEU . 9.5 mt -69.58 -40.68 76.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.194 178.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 126' ' ' LEU . . . . . 1.045 HD12 ' HA ' ' D' ' 123' ' ' HIS . 1.2 mt -65.48 -45.9 81.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.09 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 127' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -65.68 -41.77 92.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.889 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 128' ' ' LEU . . . . . 0.942 HD21 ' CD2' ' A' ' 59' ' ' TYR . 20.2 mt -75.31 -30.72 60.43 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 129' ' ' TYR . . . . . 0.737 ' CE2' HG23 ' C' ' 43' ' ' ILE . 0.1 OUTLIER -62.62 -53.56 52.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.358 -179.049 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D ' 130' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -77.53 -31.46 53.4 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.826 -179.176 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.31 -41.3 93.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.656 0.265 . . . . 0.0 110.849 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 132' ' ' ILE . . . . . 0.612 HG12 HD11 ' A' ' 55' ' ' ILE . 8.0 mt -81.54 -43.31 20.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.04 0.448 . . . . 0.0 110.393 179.437 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 133' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.708 179.549 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.62 -38.88 90.69 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 121.183 0.516 . . . . 0.0 109.692 179.117 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 19.5 mm100 -77.82 -26.85 49.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.437 -0.802 . . . . 0.0 109.964 178.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.58 ' HB3' HG22 ' B' ' 116' ' ' VAL . 9.4 m-20 -80.49 -31.23 37.31 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.367 179.769 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.548 HG22 ' HE1' ' A' ' 44' ' ' PHE . 3.3 p -75.04 -41.23 59.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.317 179.604 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.49 ' HA ' HD23 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -70.97 -38.79 72.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.411 179.512 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.2 ttt85 -74.64 -24.67 58.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.971 179.032 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.923 ' CB ' HG11 ' B' ' 116' ' ' VAL . . . -78.68 -51.32 10.02 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.723 179.1 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.817 ' O ' HD12 ' A' ' 41' ' ' ILE . 0.4 OUTLIER -64.57 -28.58 69.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.868 179.604 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -73.63 -46.53 46.25 Favored 'General case' 0 CA--C 1.519 -0.233 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 179.018 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.738 ' CD1' HD11 ' B' ' 113' ' ' LEU . 1.1 mt -59.86 -43.06 94.87 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.857 179.082 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.704 HD22 HG11 ' B' ' 92' ' ' VAL . 20.3 mt -60.34 -42.0 94.76 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.649 179.708 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.534 ' HG3' HG21 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -58.74 -42.36 88.64 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.074 0.464 . . . . 0.0 110.497 179.739 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.28 -33.24 69.56 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.657 179.294 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.694 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 15.0 m-30 -66.43 -47.97 71.53 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.714 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.585 ' HA ' HD13 ' A' ' 37' ' ' ILE . 3.3 ptm180 -58.74 -44.4 90.48 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 120.824 0.345 . . . . 0.0 110.706 179.734 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.44 -37.35 75.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.538 179.512 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.5 ptmt -100.29 5.54 44.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.374 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.816 ' CD1' HD11 ' A' ' 37' ' ' ILE . 0.4 OUTLIER -94.29 -68.01 0.82 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.841 0.353 . . . . 0.0 111.343 -179.484 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.481 ' HB2' ' HB2' ' A' ' 34' ' ' ARG . 37.4 t -63.55 -149.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.736 -179.276 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 55.24 24.96 6.84 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 121.142 0.496 . . . . 0.0 110.065 -179.18 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.612 HG23 ' N ' ' A' ' 29' ' ' GLU . 6.6 t -149.13 -56.69 0.2 Allowed 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.729 -179.375 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.612 ' N ' HG23 ' A' ' 28' ' ' THR . 17.2 pt-20 -178.11 28.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.586 -179.331 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.462 ' CG ' HD23 ' A' ' 33' ' ' LEU . 0.7 OUTLIER -141.8 46.81 1.66 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.03 0.443 . . . . 0.0 111.175 -179.603 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.71 -55.34 35.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.421 0.629 . . . . 0.0 110.209 179.674 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.94 -47.63 74.22 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.488 178.656 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.578 HD11 ' CB ' ' B' ' 95' ' ' SER . 15.9 tp -54.72 -32.31 59.45 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.676 178.414 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.764 ' HA ' HD12 ' A' ' 37' ' ' ILE . 1.8 ttp180 -60.97 -44.43 97.36 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 178.383 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.4 -37.61 72.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.102 -0.953 . . . . 0.0 110.369 178.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.487 ' HB2' HE21 ' B' ' 91' ' ' GLN . 25.1 p -60.19 -51.59 68.91 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.11 0.481 . . . . 0.0 110.308 179.536 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.816 HD11 ' CD1' ' A' ' 25' ' ' LEU . 5.4 mt -56.19 -43.66 76.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.209 179.293 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -54.68 -44.39 73.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.839 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.456 ' HB3' ' HB1' ' B' ' 88' ' ' ALA . 18.1 mtt180 -56.53 -49.77 73.8 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.232 0.539 . . . . 0.0 110.009 179.415 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.707 HG12 ' CD2' ' A' ' 44' ' ' PHE . 24.9 t -60.55 -34.71 59.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.66 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.817 HD12 ' O ' ' A' ' 15' ' ' LEU . 7.8 mm -69.69 -53.65 23.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.478 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.4 t -62.3 -48.95 77.61 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-O 120.899 0.38 . . . . 0.0 110.851 -179.115 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.744 HG23 ' CE2' ' B' ' 129' ' ' TYR . 8.8 mt -59.79 -32.76 50.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.333 179.593 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.724 ' HB3' HD22 ' A' ' 15' ' ' LEU . 0.4 OUTLIER -72.24 -55.52 7.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.069 -0.514 . . . . 0.0 112.072 179.862 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.445 ' HG2' ' O ' ' A' ' 41' ' ' ILE . 18.5 pt20 -79.35 -0.03 30.96 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.284 0.476 . . . . 0.0 112.284 -178.445 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.408 ' OG ' ' CE1' ' B' ' 129' ' ' TYR . 1.2 t -53.56 128.92 30.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.757 0.313 . . . . 0.0 110.966 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -49.85 -31.29 11.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.617 HD13 ' O ' ' A' ' 48' ' ' LEU . 0.3 OUTLIER -76.9 -48.42 18.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.073 179.674 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.924 ' CE2' HD11 ' A' ' 53' ' ' ILE . 55.3 t80 -51.02 -48.89 61.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.346 -179.612 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -56.63 -44.26 81.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.827 0.346 . . . . 0.0 110.921 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.74 -44.45 90.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.605 179.759 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.535 HD12 ' CD1' ' A' ' 48' ' ' LEU . 0.5 OUTLIER -61.49 -45.35 94.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.289 179.473 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.924 HD11 ' CE2' ' A' ' 49' ' ' PHE . 47.8 mt -54.5 -37.22 37.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.405 179.326 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.407 ' O ' ' CG ' ' A' ' 57' ' ' GLU . 14.2 t0 -63.65 -50.12 70.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.435 179.591 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.724 HG22 ' HB2' ' A' ' 59' ' ' TYR . 67.0 mt -53.0 -34.24 20.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.091 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.731 ' NE2' HD21 ' B' ' 125' ' ' LEU . 0.0 OUTLIER -53.22 -20.62 4.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.762 -179.763 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.417 ' O ' ' CD1' ' A' ' 58' ' ' PHE . 0.2 OUTLIER -45.13 -47.28 12.19 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 111.743 0.275 . . . . 0.0 111.743 -179.59 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.439 ' HB3' ' HG ' ' C' ' 64' ' ' LEU . 73.7 m-85 -152.85 39.54 0.54 Allowed 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 121.038 -0.265 . . . . 0.0 111.713 -179.299 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.809 ' CD2' HD21 ' D' ' 128' ' ' LEU . 22.2 m-85 -134.08 71.33 1.45 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.841 0.353 . . . . 0.0 110.891 179.66 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -60.63 105.24 0.42 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.791 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.601 ' CG2' HG21 ' B' ' 124' ' ' THR . 0.0 OUTLIER -85.43 96.98 5.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.992 179.836 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.412 ' HB ' ' HB2' ' C' ' 60' ' ' GLU . 76.2 m -71.44 122.78 21.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.569 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.892 HD11 ' CE2' ' C' ' 59' ' ' TYR . 1.2 mp -95.23 119.78 34.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.839 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.729 HD23 ' N ' ' A' ' 64' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.639 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 82' ' ' LEU . . . . . 0.912 HD23 ' N ' ' B' ' 82' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.813 0.339 . . . . 0.0 110.657 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 83' ' ' LEU . . . . . 0.907 HD23 ' H ' ' B' ' 84' ' ' ALA . 0.3 OUTLIER -67.63 -41.36 84.05 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.94 -179.342 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 0.907 ' H ' HD23 ' B' ' 83' ' ' LEU . . . -93.4 -19.76 20.99 Favored 'General case' 0 C--N 1.328 -0.35 0 O-C-N 123.793 0.683 . . . . 0.0 112.312 -178.44 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 85' ' ' ALA . . . . . 0.862 ' HB1' ' HB2' ' B' ' 126' ' ' LEU . . . -51.81 -26.24 9.4 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.472 -179.391 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 86' ' ' GLU . . . . . 0.431 ' HG3' ' CE1' ' B' ' 123' ' ' HIS . 4.4 tt0 -120.89 -41.71 2.54 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.432 178.449 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 87' ' ' ARG . . . . . 0.809 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 38.8 ttt180 -60.09 -56.64 19.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.061 -0.972 . . . . 0.0 110.188 178.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 88' ' ' ALA . . . . . 0.877 ' HB2' ' HB1' ' B' ' 84' ' ' ALA . . . -57.35 -38.24 73.85 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.633 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 89' ' ' VAL . . . . . 0.462 ' CG1' ' HB3' ' B' ' 117' ' ' PHE . 25.0 t -68.12 -42.47 85.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.331 179.094 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 90' ' ' SER . . . . . 0.449 ' HA ' ' HB2' ' B' ' 93' ' ' LEU . 35.5 t -75.04 -23.7 58.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.837 179.713 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 91' ' ' GLN . . . . . 0.487 HE21 ' HB2' ' A' ' 36' ' ' SER . 17.4 mt-30 -66.52 -57.68 6.8 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 121.282 0.563 . . . . 0.0 109.844 179.561 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 92' ' ' VAL . . . . . 0.704 HG11 HD22 ' A' ' 18' ' ' LEU . 10.2 t -67.84 -28.11 40.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.034 179.286 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 93' ' ' LEU . . . . . 0.665 HD21 ' HA ' ' B' ' 114' ' ' HIS . 5.8 mt -68.36 -29.68 68.46 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.99 179.648 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -85.12 -40.61 16.56 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.945 0.402 . . . . 0.0 111.102 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 95' ' ' SER . . . . . 0.578 ' CB ' HD11 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -80.0 -15.18 57.76 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.995 -179.441 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 96' ' ' LEU . . . . . 0.812 HD13 ' HB3' ' B' ' 110' ' ' LEU . 0.1 OUTLIER -38.87 -52.51 1.75 Allowed 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -179.316 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -70.09 -30.0 67.12 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.967 -179.232 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 98' ' ' GLU . . . . . 0.805 ' O ' ' HB3' ' B' ' 101' ' ' ALA . 0.0 OUTLIER -69.56 -32.86 71.9 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 177.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 99' ' ' ILE . . . . . 0.518 HG12 ' CD1' ' A' ' 25' ' ' LEU . 48.3 mt -63.4 -49.51 82.51 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.859 0 CA-C-N 114.64 -1.164 . . . . 0.0 109.883 178.691 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 100' ' ' HIS . . . . . 0.93 ' HB2' HD11 ' B' ' 110' ' ' LEU . 0.1 OUTLIER -56.61 -33.75 66.55 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 178.046 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 101' ' ' ALA . . . . . 0.805 ' HB3' ' O ' ' B' ' 98' ' ' GLU . . . -55.71 -45.97 77.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.488 -1.233 . . . . 0.0 111.411 179.201 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 102' ' ' LEU . . . . . 0.637 HD12 HG23 ' B' ' 103' ' ' THR . 0.4 OUTLIER -118.01 35.97 4.52 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.543 -0.753 . . . . 0.0 112.598 -177.739 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 103' ' ' THR . . . . . 0.637 HG23 HD12 ' B' ' 102' ' ' LEU . 38.0 p -152.69 -32.94 0.13 Allowed 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.87 -0.332 . . . . 0.0 111.62 179.636 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 7.9 t70 73.87 25.38 1.94 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.051 0.453 . . . . 0.0 110.652 -179.401 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 105' ' ' SER . . . . . 0.443 ' HB3' ' CZ ' ' A' ' 21' ' ' TYR . 29.5 m -60.37 -17.2 41.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.165 179.727 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 106' ' ' SER . . . . . 0.413 ' CB ' ' O ' ' B' ' 105' ' ' SER . 4.2 t 80.6 122.85 0.05 OUTLIER 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 120.912 0.387 . . . . 0.0 110.777 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 107' ' ' GLU . . . . . 0.615 ' HA ' HD12 ' B' ' 110' ' ' LEU . 0.9 OUTLIER -52.75 -26.3 13.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.035 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.18 -54.6 44.96 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.175 0.512 . . . . 0.0 110.081 179.496 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 109' ' ' ASP . . . . . 0.652 ' O ' HD12 ' B' ' 113' ' ' LEU . 11.1 m-20 -62.43 -41.75 98.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.868 179.051 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 110' ' ' LEU . . . . . 0.93 HD11 ' HB2' ' B' ' 100' ' ' HIS . 70.0 mt -59.97 -36.72 77.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.039 179.063 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 111' ' ' ASP . . . . . 0.601 ' HA ' ' CD2' ' B' ' 114' ' ' HIS . 6.7 m-20 -61.88 -48.87 78.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.874 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 112' ' ' PHE . . . . . 0.801 ' O ' HG23 ' B' ' 116' ' ' VAL . 1.6 t80 -58.89 -36.97 75.56 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.78 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 113' ' ' LEU . . . . . 0.738 HD11 ' CD1' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -76.62 -32.77 58.26 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.253 -179.713 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 114' ' ' HIS . . . . . 0.665 ' HA ' HD21 ' B' ' 93' ' ' LEU . 0.0 OUTLIER -61.73 -35.04 76.91 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 178.378 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -74.02 -36.77 64.48 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 178.096 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 116' ' ' VAL . . . . . 0.923 HG11 ' CB ' ' A' ' 14' ' ' ALA . 69.3 t -63.44 -23.19 32.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.708 178.346 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 117' ' ' PHE . . . . . 0.677 ' CZ ' HD11 ' A' ' 18' ' ' LEU . 4.0 m-30 -107.39 -14.89 14.76 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.605 -179.626 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 118' ' ' GLN . . . . . 0.403 ' HB2' ' O ' ' B' ' 114' ' ' HIS . 0.0 OUTLIER -81.61 -31.88 32.26 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.676 0.274 . . . . 0.0 111.596 -179.453 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -41.56 133.76 2.54 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.959 -179.215 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -72.04 -47.06 54.46 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.649 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 121' ' ' HIS . . . . . 0.439 ' CE1' ' HG2' ' A' ' 56' ' ' GLN . 1.8 t-80 -55.78 -33.68 64.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.223 179.383 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 122' ' ' LEU . . . . . 0.806 HD22 ' O ' ' B' ' 116' ' ' VAL . 50.1 tp -55.59 -47.81 75.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.898 179.508 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 123' ' ' HIS . . . . . 0.812 ' HA ' HD12 ' B' ' 126' ' ' LEU . 50.5 m-70 -52.74 -27.9 19.8 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.041 178.774 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 124' ' ' THR . . . . . 0.617 HG22 HD11 ' B' ' 128' ' ' LEU . 5.0 m -76.52 -32.85 58.51 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.95 179.366 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 125' ' ' LEU . . . . . 0.784 HD12 HD12 ' B' ' 122' ' ' LEU . 20.1 mt -66.64 -41.59 88.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.179 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 126' ' ' LEU . . . . . 0.862 ' HB2' ' HB1' ' B' ' 85' ' ' ALA . 0.3 OUTLIER -72.98 -41.72 64.05 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.755 0.312 . . . . 0.0 111.021 -179.851 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.11 -46.3 90.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.222 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 128' ' ' LEU . . . . . 0.977 HD21 ' CD2' ' C' ' 59' ' ' TYR . 9.1 mt -77.08 -32.34 56.67 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.694 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 129' ' ' TYR . . . . . 0.744 ' CE2' HG23 ' A' ' 43' ' ' ILE . 0.1 OUTLIER -56.49 -53.13 61.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.932 -179.501 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 130' ' ' ASP . . . . . 0.546 ' HB2' HD22 ' B' ' 82' ' ' LEU . 17.6 m-20 -77.21 -34.96 56.04 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.301 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -56.71 -45.76 81.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.914 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 132' ' ' ILE . . . . . 0.502 HD12 ' O ' ' B' ' 128' ' ' LEU . 5.4 mt -76.89 -39.12 29.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.876 0.37 . . . . 0.0 110.713 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 133' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -60.38 -28.44 68.21 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.911 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 89.5 m -87.27 -49.31 7.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.174 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.65 -35.16 75.52 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.985 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 84.2 p . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.801 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 7' ' ' ARG . . . . . 0.651 ' NH2' HD13 ' D' ' 122' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.23 -40.18 93.07 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 121.205 0.526 . . . . 0.0 109.794 179.039 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 53.8 mm-40 -73.93 -32.29 63.45 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.987 179.311 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 10' ' ' ASP . . . . . 0.747 ' HB3' HG22 ' D' ' 116' ' ' VAL . 95.6 m-20 -75.61 -29.49 59.24 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.114 179.288 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 11' ' ' THR . . . . . 0.565 HG23 ' CD2' ' C' ' 44' ' ' PHE . 63.0 m -69.82 -49.58 51.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.71 179.724 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 12' ' ' GLN . . . . . 0.404 ' O ' ' CG ' ' C' ' 16' ' ' HIS . 0.8 OUTLIER -66.71 -37.08 83.97 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.909 -0.317 . . . . 0.0 110.365 179.877 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 9.1 ttt85 -73.86 -24.68 59.78 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.118 179.096 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 14' ' ' ALA . . . . . 0.868 ' CB ' HG11 ' D' ' 116' ' ' VAL . . . -78.7 -55.12 5.42 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 116.086 -0.507 . . . . 0.0 109.749 178.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 15' ' ' LEU . . . . . 0.729 ' O ' HD12 ' C' ' 41' ' ' ILE . 0.4 OUTLIER -63.6 -24.74 67.92 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.955 179.256 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 16' ' ' HIS . . . . . 0.404 ' CG ' ' O ' ' C' ' 12' ' ' GLN . 9.3 m170 -73.23 -48.79 32.05 Favored 'General case' 0 CA--C 1.518 -0.251 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 178.813 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 17' ' ' LEU . . . . . 0.858 HD22 ' CZ ' ' C' ' 21' ' ' TYR . 2.1 mt -60.2 -37.96 81.85 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.419 -0.809 . . . . 0.0 109.383 178.657 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 18' ' ' LEU . . . . . 0.763 ' HB3' HD11 ' C' ' 41' ' ' ILE . 11.8 mt -65.86 -41.0 92.22 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.315 179.389 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -57.89 -39.49 77.98 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.75 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -73.7 -37.03 65.31 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.147 179.563 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 21' ' ' TYR . . . . . 0.858 ' CZ ' HD22 ' C' ' 17' ' ' LEU . 22.9 m-85 -65.14 -46.62 80.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.835 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 22' ' ' ARG . . . . . 0.481 ' HB2' ' HG3' ' C' ' 34' ' ' ARG . 1.0 OUTLIER -59.38 -49.36 78.1 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.782 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 23' ' ' SER . . . . . 0.441 ' N ' ' HG3' ' C' ' 22' ' ' ARG . 0.3 OUTLIER -58.19 -32.85 68.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.26 179.893 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 24' ' ' LYS . . . . . . . . . . . . . 7.0 ptmt -101.65 5.13 41.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.426 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 25' ' ' LEU . . . . . 0.954 HD11 HG12 ' D' ' 99' ' ' ILE . 3.8 mt -92.77 -62.91 1.29 Allowed 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -179.291 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 26' ' ' SER . . . . . 0.668 ' HB2' ' HD2' ' C' ' 31' ' ' ARG . 52.6 p -57.76 -18.38 21.2 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.142 -0.481 . . . . 0.0 112.044 -178.781 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 27' ' ' GLN . . . . . 0.441 ' OE1' ' OG ' ' C' ' 26' ' ' SER . 1.1 mm100 -78.76 50.08 0.96 Allowed 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.536 -179.119 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 28' ' ' THR . . . . . 0.484 ' CG2' ' N ' ' C' ' 29' ' ' GLU . 0.7 OUTLIER -177.28 -54.47 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.627 0.251 . . . . 0.0 111.326 179.249 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 29' ' ' GLU . . . . . 0.484 ' N ' ' CG2' ' C' ' 28' ' ' THR . 6.3 pt-20 179.15 27.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.329 -179.743 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 30' ' ' ASP . . . . . 0.449 ' CG ' HD22 ' C' ' 25' ' ' LEU . 1.8 m-20 -126.11 36.19 4.55 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.79 -179.736 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 31' ' ' ARG . . . . . 0.668 ' HD2' ' HB2' ' C' ' 26' ' ' SER . 25.3 mmm180 -55.08 -51.55 66.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.265 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 21.8 tp60 -61.67 -47.3 85.97 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.864 178.758 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 33' ' ' LEU . . . . . 0.521 HD11 ' CB ' ' D' ' 95' ' ' SER . 12.2 tp -56.05 -37.05 68.73 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.464 179.208 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 34' ' ' ARG . . . . . 0.621 ' HB2' ' HB3' ' C' ' 26' ' ' SER . 16.5 ttt180 -60.91 -40.23 92.35 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 178.859 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 5.2 m -58.25 -40.15 81.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.228 178.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 36' ' ' SER . . . . . 0.771 ' OG ' HG22 ' D' ' 92' ' ' VAL . 36.8 p -66.24 -48.76 69.48 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.221 0.534 . . . . 0.0 110.283 179.367 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 37' ' ' ILE . . . . . 0.782 ' CD1' HD12 ' C' ' 25' ' ' LEU . 7.2 mt -58.82 -36.97 63.76 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.88 179.235 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -59.77 -52.68 64.43 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.062 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 39' ' ' ARG . . . . . 0.664 ' HG3' ' HB1' ' D' ' 88' ' ' ALA . 3.6 ptp85 -56.4 -31.9 64.32 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 179.399 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 40' ' ' VAL . . . . . 0.747 HG23 ' O ' ' C' ' 36' ' ' SER . 17.9 t -70.45 -35.6 62.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.991 178.27 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 41' ' ' ILE . . . . . 0.763 HD11 ' HB3' ' C' ' 18' ' ' LEU . 9.8 mm -69.04 -55.53 15.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.615 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 17.7 p -61.43 -48.35 81.59 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 120.931 0.396 . . . . 0.0 110.83 -179.279 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 43' ' ' ILE . . . . . 0.894 HG23 ' CE2' ' D' ' 129' ' ' TYR . 17.3 mt -59.76 -33.1 51.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.239 179.417 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 44' ' ' PHE . . . . . 0.689 ' HB3' HD22 ' C' ' 15' ' ' LEU . 1.8 m-85 -72.46 -57.66 4.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.699 179.451 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 45' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -78.05 -2.93 39.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.772 -178.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 46' ' ' SER . . . . . 0.486 ' CB ' ' CE1' ' D' ' 129' ' ' TYR . 1.2 m -47.89 127.58 12.2 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.799 0.333 . . . . 0.0 110.813 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -47.82 -34.35 8.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.239 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 48' ' ' LEU . . . . . 0.823 ' O ' HD12 ' C' ' 48' ' ' LEU . 1.7 tp -79.89 -43.69 21.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.092 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 49' ' ' PHE . . . . . 0.589 ' CE2' HD11 ' C' ' 53' ' ' ILE . 50.6 t80 -51.16 -56.29 13.52 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.588 0.232 . . . . 0.0 111.246 -179.669 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -55.97 -34.74 66.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.955 0.407 . . . . 0.0 110.472 179.645 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 51' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' C' ' 48' ' ' LEU . . . -59.15 -47.84 83.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.551 179.504 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 52' ' ' LEU . . . . . 0.505 HD13 ' O ' ' D' ' 125' ' ' LEU . 1.2 mt -59.67 -44.28 93.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.429 179.536 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 53' ' ' ILE . . . . . 0.596 HG12 HD13 ' D' ' 125' ' ' LEU . 37.3 mt -52.66 -43.15 43.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.69 179.531 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.52 -33.87 75.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.312 179.463 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 55' ' ' ILE . . . . . 0.659 HG22 ' HB2' ' C' ' 59' ' ' TYR . 73.1 mt -66.63 -43.49 90.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.809 179.611 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.04 -22.8 6.36 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.692 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 57' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -49.61 -32.51 13.02 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.58 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 58' ' ' PHE . . . . . 0.428 ' HA ' ' HG ' ' A' ' 64' ' ' LEU . 96.9 m-85 -155.05 25.08 0.43 Allowed 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.033 0.382 . . . . 0.0 112.033 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 59' ' ' TYR . . . . . 0.977 ' CD2' HD21 ' B' ' 128' ' ' LEU . 14.1 m-85 -132.21 70.96 1.46 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.316 -0.402 . . . . 0.0 109.967 179.254 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 60' ' ' GLU . . . . . 0.412 ' HB2' ' HB ' ' A' ' 62' ' ' THR . 1.7 mt-10 -59.17 96.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.083 -179.203 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 61' ' ' VAL . . . . . 0.503 HG23 HG21 ' D' ' 124' ' ' THR . 0.0 OUTLIER -72.76 96.73 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.951 0.405 . . . . 0.0 110.593 179.62 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 62' ' ' THR . . . . . . . . . . . . . 17.8 m -84.64 117.35 23.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.909 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 63' ' ' LEU . . . . . 0.624 HD11 ' CZ ' ' A' ' 59' ' ' TYR . 0.1 OUTLIER -90.82 130.69 36.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.413 179.618 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 64' ' ' LEU . . . . . 0.698 ' N ' HD23 ' C' ' 64' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.433 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.554 -179.609 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 82' ' ' LEU . . . . . 0.859 ' N ' HD23 ' D' ' 82' ' ' LEU . 0.3 OUTLIER . . . . . 0 CA--C 1.522 -0.115 0 CA-C-O 121.076 0.465 . . . . 0.0 110.222 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 83' ' ' LEU . . . . . 1.067 HD23 ' H ' ' D' ' 84' ' ' ALA . 0.2 OUTLIER -60.02 -50.4 73.89 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.65 -179.604 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 84' ' ' ALA . . . . . 1.067 ' H ' HD23 ' D' ' 83' ' ' LEU . . . -73.83 -22.41 59.79 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.171 -179.429 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 85' ' ' ALA . . . . . 0.869 ' O ' HD13 ' D' ' 126' ' ' LEU . . . -52.05 -26.63 11.35 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 179.105 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 86' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -125.41 -39.61 2.17 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.009 178.629 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 87' ' ' ARG . . . . . 0.73 ' HB3' ' O ' ' D' ' 83' ' ' LEU . 9.4 ttt-85 -64.52 -38.65 91.77 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.767 179.355 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 88' ' ' ALA . . . . . 0.851 ' HB2' ' HB1' ' D' ' 84' ' ' ALA . . . -69.89 -46.52 65.29 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.139 -179.614 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 89' ' ' VAL . . . . . 0.822 HG12 ' HB3' ' D' ' 117' ' ' PHE . 21.2 t -74.8 -31.93 27.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.099 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 90' ' ' SER . . . . . 0.486 ' HA ' ' HB2' ' D' ' 93' ' ' LEU . 72.2 m -76.12 -43.82 41.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.106 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 91' ' ' GLN . . . . . 0.423 ' CD ' ' HB2' ' C' ' 36' ' ' SER . 7.6 pt20 -62.18 -49.38 76.04 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-O 121.309 0.576 . . . . 0.0 109.618 179.695 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 92' ' ' VAL . . . . . 0.771 HG22 ' OG ' ' C' ' 36' ' ' SER . 75.8 t -66.05 -27.75 41.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.274 177.727 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 93' ' ' LEU . . . . . 0.772 HD21 ' HA ' ' D' ' 114' ' ' HIS . 1.1 mt -58.24 -41.93 85.24 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.818 179.072 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -80.52 -27.06 37.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.099 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 95' ' ' SER . . . . . 0.521 ' CB ' HD11 ' C' ' 33' ' ' LEU . 5.8 m -79.1 -20.13 49.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.814 -179.564 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 96' ' ' LEU . . . . . 0.888 HD22 HD22 ' D' ' 110' ' ' LEU . 0.2 OUTLIER -43.96 -52.38 7.0 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.009 0.433 . . . . 0.0 112.145 -179.421 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -67.47 -27.62 67.18 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.443 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 98' ' ' GLU . . . . . 0.769 ' O ' ' HB3' ' D' ' 101' ' ' ALA . 0.0 OUTLIER -69.96 -36.79 75.5 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.601 -1.259 . . . . 0.0 107.601 177.696 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 99' ' ' ILE . . . . . 0.954 HG12 HD11 ' C' ' 25' ' ' LEU . 82.1 mt -58.31 -45.98 89.15 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.704 0 CA-C-N 114.456 -1.247 . . . . 0.0 109.593 178.015 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 100' ' ' HIS . . . . . 1.003 ' HB2' HD11 ' D' ' 110' ' ' LEU . 1.5 t-80 -55.05 -43.24 73.62 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 178.25 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 101' ' ' ALA . . . . . 0.769 ' HB3' ' O ' ' D' ' 98' ' ' GLU . . . -50.46 -43.19 55.12 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 113.793 -1.549 . . . . 0.0 112.257 179.592 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 102' ' ' LEU . . . . . 0.584 HD12 HG23 ' D' ' 103' ' ' THR . 0.3 OUTLIER -118.49 28.97 8.01 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 113.029 0.751 . . . . 0.0 113.029 -177.499 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 103' ' ' THR . . . . . 0.584 HG23 HD12 ' D' ' 102' ' ' LEU . 25.3 p -152.82 -9.93 0.17 Allowed 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 113.094 0.776 . . . . 0.0 113.094 179.726 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 2.5 p30 46.12 27.95 0.59 Allowed 'General case' 0 CA--C 1.529 0.146 0 CA-C-O 120.826 0.346 . . . . 0.0 110.934 -179.413 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 105' ' ' SER . . . . . 0.436 ' HG ' ' HH ' ' C' ' 21' ' ' TYR . 7.0 t -48.41 -82.02 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.093 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 106' ' ' SER . . . . . . . . . . . . . 9.6 t 169.35 109.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.382 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -49.29 -36.81 21.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.759 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.45 -47.94 79.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 109.968 179.339 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 109' ' ' ASP . . . . . 0.668 ' O ' HD12 ' D' ' 113' ' ' LEU . 4.4 m-20 -63.09 -36.09 82.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.676 178.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 110' ' ' LEU . . . . . 1.003 HD11 ' HB2' ' D' ' 100' ' ' HIS . 17.5 mt -61.27 -52.76 63.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.069 179.132 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 111' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -53.77 -40.66 66.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.877 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 112' ' ' PHE . . . . . 0.459 ' O ' HG23 ' D' ' 116' ' ' VAL . 0.6 OUTLIER -59.04 -45.78 89.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.635 179.79 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 113' ' ' LEU . . . . . 0.668 HD11 ' CD1' ' C' ' 17' ' ' LEU . 0.5 OUTLIER -70.51 -29.01 65.4 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.125 -179.647 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 114' ' ' HIS . . . . . 0.772 ' HA ' HD21 ' D' ' 93' ' ' LEU . 48.8 m80 -62.75 -38.26 89.85 Favored 'General case' 0 CA--C 1.516 -0.332 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 178.338 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 115' ' ' SER . . . . . . . . . . . . . 71.0 m -71.8 -37.8 70.36 Favored 'General case' 0 CA--C 1.517 -0.322 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 178.681 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 116' ' ' VAL . . . . . 0.868 HG11 ' CB ' ' C' ' 14' ' ' ALA . 44.6 t -61.53 -23.35 30.46 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.627 178.296 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 117' ' ' PHE . . . . . 0.822 ' HB3' HG12 ' D' ' 89' ' ' VAL . 9.4 m-30 -105.09 -23.57 12.91 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.47 -179.709 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 118' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' D' ' 114' ' ' HIS . 0.0 OUTLIER -71.16 -30.48 66.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.857 0.36 . . . . 0.0 111.47 -179.399 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -42.68 133.57 3.43 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.86 -179.322 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 120' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -76.7 -49.49 15.95 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.561 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 121' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -55.94 -34.0 65.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.298 179.548 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 122' ' ' LEU . . . . . 0.841 HD12 HD12 ' D' ' 125' ' ' LEU . 29.8 tp -55.88 -46.51 78.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.031 179.467 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 123' ' ' HIS . . . . . 0.992 ' HA ' HD12 ' D' ' 126' ' ' LEU . 48.8 m170 -53.86 -26.67 25.74 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.143 0.497 . . . . 0.0 109.82 178.729 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 124' ' ' THR . . . . . 0.503 HG21 HG23 ' C' ' 61' ' ' VAL . 2.6 m -76.4 -33.88 58.86 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.41 178.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 125' ' ' LEU . . . . . 0.841 HD12 HD12 ' D' ' 122' ' ' LEU . 13.2 mt -70.24 -40.88 74.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.509 179.382 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 126' ' ' LEU . . . . . 0.992 HD12 ' HA ' ' D' ' 123' ' ' HIS . 0.5 OUTLIER -69.12 -40.69 78.17 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.253 -179.679 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 127' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -64.31 -53.19 52.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.805 0.336 . . . . 0.0 111.095 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 128' ' ' LEU . . . . . 0.809 HD21 ' CD2' ' A' ' 59' ' ' TYR . 36.7 mt -62.06 -42.06 98.8 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.3 -179.722 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 129' ' ' TYR . . . . . 0.894 ' CE2' HG23 ' C' ' 43' ' ' ILE . 0.1 OUTLIER -55.81 -51.43 67.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.933 0.397 . . . . 0.0 111.145 -179.257 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 130' ' ' ASP . . . . . 0.426 ' OD2' ' CE2' ' D' ' 129' ' ' TYR . 19.1 m-20 -75.76 -22.9 56.03 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.97 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.16 -51.98 57.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.914 0.388 . . . . 0.0 110.615 179.626 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 132' ' ' ILE . . . . . 0.681 HD12 ' O ' ' D' ' 128' ' ' LEU . 2.1 mt -73.06 -35.97 49.54 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.781 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 133' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 . . . . . 0 C--N 1.325 -0.49 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.128 -179.542 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.51 HH21 HG22 ' B' ' 116' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.401 ' HD3' ' CG2' ' A' ' 53' ' ' ILE . 0.8 OUTLIER -62.41 -40.34 96.21 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-O 121.206 0.526 . . . . 0.0 109.686 179.123 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -76.9 -29.74 55.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.091 178.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.438 ' HB3' HG22 ' B' ' 116' ' ' VAL . 0.8 OUTLIER -77.47 -30.33 53.12 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.473 179.831 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.1 p -74.24 -44.34 53.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.517 179.698 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.95 -36.42 80.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.237 179.476 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.2 tpp180 -74.32 -25.31 59.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 109.932 179.109 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.791 ' CB ' HG11 ' B' ' 116' ' ' VAL . . . -78.15 -54.44 6.25 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.73 178.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.777 HD22 ' HB3' ' A' ' 44' ' ' PHE . 0.4 OUTLIER -62.49 -26.05 68.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.635 179.262 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 28.9 t60 -73.08 -45.33 57.85 Favored 'General case' 0 CA--C 1.517 -0.293 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 178.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.999 HD22 ' CE1' ' A' ' 21' ' ' TYR . 2.7 mt -62.88 -36.11 82.22 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.116 178.504 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.921 ' CD2' HG11 ' B' ' 92' ' ' VAL . 50.9 mt -60.61 -43.97 96.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.048 -0.978 . . . . 0.0 110.393 179.334 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.52 ' CD ' HG21 ' A' ' 41' ' ' ILE . 3.4 mm-40 -60.39 -45.55 93.14 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.576 179.674 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -71.25 -31.65 67.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.927 179.268 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.999 ' CE1' HD22 ' A' ' 17' ' ' LEU . 5.8 m-30 -67.36 -46.74 72.47 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.461 179.652 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.401 ' HB2' ' HG2' ' A' ' 34' ' ' ARG . 28.8 ptt85 -62.79 -38.37 90.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.723 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 98.2 p -63.29 -38.69 92.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.922 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt -92.04 -18.32 23.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.553 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.778 HD12 HD11 ' A' ' 37' ' ' ILE . 0.3 OUTLIER -77.94 -71.12 0.44 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.693 -179.774 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.477 ' HB2' ' HB2' ' A' ' 34' ' ' ARG . 14.6 t -62.87 -146.89 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.601 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 47.67 27.75 1.11 Allowed 'General case' 0 N--CA 1.452 -0.325 0 CA-C-O 121.037 0.446 . . . . 0.0 110.291 -179.471 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.447 HG23 ' HG2' ' A' ' 29' ' ' GLU . 3.1 t -152.65 -49.21 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.573 -179.654 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.447 ' HG2' HG23 ' A' ' 28' ' ' THR . 10.6 pt-20 -177.45 26.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.53 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.482 ' CB ' HD22 ' A' ' 25' ' ' LEU . 0.7 OUTLIER -144.01 60.19 1.36 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.059 0.457 . . . . 0.0 111.192 -179.657 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.8 mmm180 -68.08 -53.24 26.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.369 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.28 -49.7 76.82 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.777 179.092 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.47 HD11 ' CB ' ' B' ' 95' ' ' SER . 8.7 tp -51.58 -36.24 44.64 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.007 178.884 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.477 ' HB2' ' HB2' ' A' ' 26' ' ' SER . 18.8 ttp180 -60.61 -46.43 90.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.455 178.857 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 10.3 p -54.72 -35.3 63.53 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.386 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.524 ' O ' ' HG2' ' A' ' 39' ' ' ARG . 0.6 OUTLIER -66.47 -50.13 64.33 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.124 0.487 . . . . 0.0 110.319 179.385 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.778 HD11 HD12 ' A' ' 25' ' ' LEU . 28.2 mt -60.5 -37.69 75.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.727 178.836 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.414 ' HA ' HG12 ' A' ' 41' ' ' ILE . 7.6 mm-40 -64.54 -51.21 64.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 114.995 -1.002 . . . . 0.0 111.925 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.632 ' HG3' ' HB1' ' B' ' 88' ' ' ALA . 5.0 ptp85 -55.18 -38.3 68.17 Favored 'General case' 0 CA--C 1.52 -0.203 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.011 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.516 HG12 ' CD1' ' A' ' 44' ' ' PHE . 92.3 t -63.43 -40.99 91.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 178.17 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.709 HD11 ' HB3' ' A' ' 18' ' ' LEU . 13.4 mm -55.38 -58.35 4.78 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.157 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.769 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.7 t -58.38 -47.7 83.0 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-O 120.964 0.412 . . . . 0.0 110.649 -179.173 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.928 HG23 ' CE2' ' B' ' 129' ' ' TYR . 16.0 mt -59.89 -34.25 55.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.219 179.289 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.777 ' HB3' HD22 ' A' ' 15' ' ' LEU . 1.1 m-85 -72.79 -56.47 5.19 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.681 -0.69 . . . . 0.0 112.21 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -80.17 -0.57 36.62 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -178.4 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.425 ' CB ' ' CE1' ' B' ' 129' ' ' TYR . 14.1 p -53.68 140.1 30.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.926 0.394 . . . . 0.0 110.799 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -56.71 -32.02 65.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.686 -179.41 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.772 ' O ' HD12 ' A' ' 48' ' ' LEU . 2.0 tp -79.29 -46.82 16.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.685 -0.234 . . . . 0.0 111.509 -179.589 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.918 ' CE2' HD11 ' A' ' 53' ' ' ILE . 81.2 t80 -51.51 -50.67 59.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.781 0.324 . . . . 0.0 111.384 -179.36 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -56.99 -43.08 81.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.054 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.595 ' CB ' HG23 ' D' ' 132' ' ' ILE . . . -58.25 -40.76 82.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.944 0.402 . . . . 0.0 110.207 179.732 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.598 HD21 ' HB3' ' B' ' 128' ' ' LEU . 2.7 mt -61.6 -43.57 98.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.698 178.769 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.918 HD11 ' CE2' ' A' ' 49' ' ' PHE . 55.5 mt -55.97 -34.01 36.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.191 178.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.83 -34.18 69.1 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.443 179.292 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.872 HD11 ' CG1' ' D' ' 132' ' ' ILE . 69.6 mt -66.26 -46.78 86.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.467 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.413 ' CG ' ' O ' ' A' ' 53' ' ' ILE . 1.9 pt20 -53.09 -21.26 4.54 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.816 -179.322 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.403 ' O ' ' CG ' ' A' ' 58' ' ' PHE . 8.5 tt0 -47.19 -32.66 4.59 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.71 0.29 . . . . 0.0 111.083 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.415 ' HA ' ' HG ' ' C' ' 64' ' ' LEU . 95.5 m-85 -156.71 35.76 0.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.312 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.974 ' CD2' HD21 ' D' ' 128' ' ' LEU . 45.8 m-85 -142.34 70.16 1.33 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.381 179.601 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.492 ' HB2' ' HB ' ' C' ' 62' ' ' THR . 67.4 mt-10 -57.23 91.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.95 -179.659 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.533 HG23 HG21 ' B' ' 124' ' ' THR . 0.0 OUTLIER -72.88 106.11 2.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.127 -179.935 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.411 ' HB ' ' HB2' ' C' ' 60' ' ' GLU . 3.2 m -89.3 122.22 32.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.482 179.672 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.618 HD11 ' CZ ' ' C' ' 59' ' ' TYR . 0.1 OUTLIER -92.92 131.31 38.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.092 -179.897 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.688 HD23 ' N ' ' A' ' 64' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.094 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 82' ' ' LEU . . . . . 0.854 HD23 ' N ' ' B' ' 82' ' ' LEU . 0.2 OUTLIER . . . . . 0 CA--C 1.519 -0.246 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 83' ' ' LEU . . . . . 0.972 HD23 ' H ' ' B' ' 84' ' ' ALA . 0.4 OUTLIER -61.42 -44.53 96.97 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.142 -0.936 . . . . 0.0 110.723 -179.795 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 1.005 ' HB1' ' HB2' ' B' ' 88' ' ' ALA . . . -78.7 -19.37 52.58 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.786 -178.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 85' ' ' ALA . . . . . 0.709 ' HB2' ' OD2' ' B' ' 130' ' ' ASP . . . -52.32 -24.02 6.83 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.346 0.593 . . . . 0.0 109.836 179.082 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 86' ' ' GLU . . . . . 0.412 ' O ' ' CB ' ' B' ' 90' ' ' SER . 10.2 tt0 -127.41 -39.69 1.85 Allowed 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.828 178.69 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 87' ' ' ARG . . . . . 0.698 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 20.2 ttt85 -64.96 -39.96 94.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.619 179.377 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 88' ' ' ALA . . . . . 1.005 ' HB2' ' HB1' ' B' ' 84' ' ' ALA . . . -69.94 -47.63 61.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.782 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 89' ' ' VAL . . . . . 0.642 HG13 ' CD1' ' B' ' 117' ' ' PHE . 37.8 t -70.29 -34.08 56.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.407 179.412 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 90' ' ' SER . . . . . 0.452 ' HA ' ' HB2' ' B' ' 93' ' ' LEU . 72.6 m -76.18 -25.01 54.79 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.352 179.19 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 91' ' ' GLN . . . . . 0.482 ' HB3' ' HB3' ' A' ' 36' ' ' SER . 9.5 mt-30 -67.73 -53.16 29.62 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 121.307 0.575 . . . . 0.0 109.462 179.323 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 92' ' ' VAL . . . . . 0.921 HG11 ' CD2' ' A' ' 18' ' ' LEU . 4.9 t -69.73 -27.77 34.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.168 -0.924 . . . . 0.0 109.968 179.116 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 93' ' ' LEU . . . . . 0.762 HD21 ' HA ' ' B' ' 114' ' ' HIS . 4.2 mt -68.76 -35.13 76.7 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.354 179.722 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -83.52 -37.64 22.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.919 0.39 . . . . 0.0 110.964 -179.63 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 95' ' ' SER . . . . . 0.47 ' CB ' HD11 ' A' ' 33' ' ' LEU . 0.5 OUTLIER -79.66 -20.34 46.88 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.712 -179.623 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 96' ' ' LEU . . . . . 0.816 HD13 ' HB3' ' B' ' 110' ' ' LEU . 0.1 OUTLIER -36.88 -49.11 0.79 Allowed 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 112.529 0.566 . . . . 0.0 112.529 -179.484 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -69.29 -32.13 71.09 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.226 -179.049 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 98' ' ' GLU . . . . . 0.821 ' OE2' HD21 ' B' ' 102' ' ' LEU . 0.0 OUTLIER -68.93 -35.81 77.25 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 177.68 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 99' ' ' ILE . . . . . 0.548 HG23 HG21 ' B' ' 103' ' ' THR . 8.4 mt -57.9 -48.37 84.09 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.645 0 CA-C-N 114.291 -1.322 . . . . 0.0 109.885 178.239 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 100' ' ' HIS . . . . . 0.77 ' HB2' HD11 ' B' ' 110' ' ' LEU . 1.4 t60 -55.98 -39.91 72.51 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-O 121.971 0.891 . . . . 0.0 108.692 178.359 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 101' ' ' ALA . . . . . 0.789 ' HB3' ' O ' ' B' ' 98' ' ' GLU . . . -52.45 -41.62 63.46 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 113.884 -1.507 . . . . 0.0 111.819 179.48 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 102' ' ' LEU . . . . . 0.821 HD21 ' OE2' ' B' ' 98' ' ' GLU . 0.4 OUTLIER -123.53 35.47 4.85 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -177.351 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 103' ' ' THR . . . . . 0.652 HG23 HD12 ' B' ' 102' ' ' LEU . 39.7 p -150.69 -38.97 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.685 -0.406 . . . . 0.0 111.856 179.6 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 74.89 29.95 0.98 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.987 0.422 . . . . 0.0 110.14 -178.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 105' ' ' SER . . . . . 0.421 ' HB3' ' CZ ' ' A' ' 21' ' ' TYR . 3.1 m -64.59 -8.5 14.39 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.75 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 75.57 118.96 0.05 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.846 0.355 . . . . 0.0 110.554 -179.685 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 107' ' ' GLU . . . . . 0.729 ' HA ' HD12 ' B' ' 110' ' ' LEU . 0.4 OUTLIER -50.64 -27.02 6.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.182 -179.78 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.3 -51.71 68.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.131 0.491 . . . . 0.0 110.212 179.472 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 109' ' ' ASP . . . . . 0.626 ' O ' HD12 ' B' ' 113' ' ' LEU . 14.6 m-20 -65.49 -39.84 92.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.878 179.002 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 110' ' ' LEU . . . . . 0.816 ' HB3' HD13 ' B' ' 96' ' ' LEU . 52.2 mt -61.31 -36.46 80.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.124 179.188 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 111' ' ' ASP . . . . . 0.427 ' O ' ' ND1' ' B' ' 114' ' ' HIS . 0.7 OUTLIER -66.32 -43.03 87.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.665 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 112' ' ' PHE . . . . . 0.555 ' O ' HG23 ' B' ' 116' ' ' VAL . 0.5 OUTLIER -60.81 -37.2 81.15 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.461 179.81 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 113' ' ' LEU . . . . . 0.719 HD11 ' CD1' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -78.45 -35.06 47.26 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.862 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 114' ' ' HIS . . . . . 0.762 ' HA ' HD21 ' B' ' 93' ' ' LEU . 0.0 OUTLIER -61.65 -29.03 69.8 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 178.708 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 1.9 m -79.32 -39.09 33.66 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 177.609 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 116' ' ' VAL . . . . . 0.865 ' O ' HD22 ' B' ' 122' ' ' LEU . 25.2 t -61.04 -24.02 31.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.669 178.27 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 117' ' ' PHE . . . . . 0.642 ' CD1' HG13 ' B' ' 89' ' ' VAL . 22.4 m-85 -99.86 -31.8 11.32 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.432 -179.482 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 118' ' ' GLN . . . . . 0.622 ' NE2' ' CD2' ' B' ' 114' ' ' HIS . 0.0 OUTLIER -66.65 -27.54 67.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.785 0.326 . . . . 0.0 111.587 -179.378 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.16 126.94 6.53 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.463 -179.683 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 120' ' ' GLN . . . . . 0.437 ' O ' ' CD2' ' B' ' 123' ' ' HIS . 0.0 OUTLIER -68.44 -49.69 58.03 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.713 179.921 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 121' ' ' HIS . . . . . 0.41 ' O ' ' HB ' ' B' ' 124' ' ' THR . 4.2 m-70 -55.14 -33.31 62.81 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.399 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 122' ' ' LEU . . . . . 0.865 HD22 ' O ' ' B' ' 116' ' ' VAL . 26.6 tp -56.07 -50.56 70.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.718 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 123' ' ' HIS . . . . . 0.593 ' HA ' HD12 ' B' ' 126' ' ' LEU . 0.0 OUTLIER -52.43 -25.94 11.35 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.962 0.41 . . . . 0.0 110.169 179.597 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 124' ' ' THR . . . . . 0.533 HG21 HG23 ' A' ' 61' ' ' VAL . 9.2 m -76.79 -34.46 57.98 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.412 178.636 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 125' ' ' LEU . . . . . 0.514 HD13 HG12 ' A' ' 53' ' ' ILE . 16.6 mt -65.65 -40.16 92.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.338 179.078 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 126' ' ' LEU . . . . . 0.619 ' CB ' ' HB1' ' B' ' 85' ' ' ALA . 1.4 mp -68.4 -50.82 50.15 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.288 -179.604 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 127' ' ' ASP . . . . . 0.417 ' O ' ' OD1' ' B' ' 130' ' ' ASP . 72.5 m-20 -59.53 -48.74 80.47 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.97 0.414 . . . . 0.0 110.826 179.775 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 128' ' ' LEU . . . . . 0.894 HD21 ' CD2' ' C' ' 59' ' ' TYR . 96.2 mt -60.96 -40.38 93.12 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.952 0.405 . . . . 0.0 110.454 179.687 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 129' ' ' TYR . . . . . 0.928 ' CE2' HG23 ' A' ' 43' ' ' ILE . 0.2 OUTLIER -65.73 -50.58 64.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.209 -179.66 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 130' ' ' ASP . . . . . 0.709 ' OD2' ' HB2' ' B' ' 85' ' ' ALA . 4.2 p30 -75.23 -19.92 59.5 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.326 -179.687 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.11 -46.65 33.11 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.699 0.285 . . . . 0.0 111.077 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 132' ' ' ILE . . . . . 0.573 ' HB ' HD21 ' A' ' 48' ' ' LEU . 4.2 mt -74.58 -35.71 38.88 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 CA-C-O 120.899 0.38 . . . . 0.0 110.791 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 133' ' ' ASN . . . . . 0.412 ' HB2' HD23 ' A' ' 48' ' ' LEU . 3.4 t-20 -65.02 -26.49 68.3 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.313 -179.615 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 83.3 m -90.38 -27.5 19.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.106 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 135' ' ' LYS . . . . . 0.412 ' HD3' ' HB2' ' C' ' 51' ' ' ALA . 0.0 OUTLIER -59.67 -62.73 1.66 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.216 -179.91 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 84.2 p . . . . . 0 C--N 1.324 -0.508 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.206 -179.704 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 7' ' ' ARG . . . . . 0.698 ' HG3' HG23 ' C' ' 11' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.123 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 8' ' ' LYS . . . . . 0.613 ' HG2' HG21 ' C' ' 53' ' ' ILE . 39.0 mttt -66.23 -38.65 88.42 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 121.283 0.563 . . . . 0.0 109.703 178.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -75.45 -31.58 60.36 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.985 179.077 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 10' ' ' ASP . . . . . 0.59 ' HB3' HG22 ' D' ' 116' ' ' VAL . 87.3 m-20 -80.36 -29.81 37.93 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.645 179.717 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 11' ' ' THR . . . . . 0.698 HG23 ' HG3' ' C' ' 7' ' ' ARG . 21.6 p -77.45 -38.59 49.05 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.594 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -72.87 -37.27 67.4 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 179.34 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 -72.8 -28.2 62.43 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.849 178.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 14' ' ' ALA . . . . . 0.932 ' CB ' HG11 ' D' ' 116' ' ' VAL . . . -78.49 -55.54 5.14 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 178.808 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 15' ' ' LEU . . . . . 0.824 ' HA ' HD12 ' C' ' 18' ' ' LEU . 0.3 OUTLIER -60.74 -24.47 65.74 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.493 178.931 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 16' ' ' HIS . . . . . 0.424 ' HA ' ' HG2' ' C' ' 19' ' ' GLU . 39.9 t60 -73.27 -47.53 42.24 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 178.56 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 17' ' ' LEU . . . . . 0.906 HD22 ' CZ ' ' C' ' 21' ' ' TYR . 1.6 mt -63.54 -37.64 88.09 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.518 178.857 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 18' ' ' LEU . . . . . 0.859 HD22 HG11 ' D' ' 92' ' ' VAL . 20.7 mt -62.91 -49.93 72.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.096 -0.956 . . . . 0.0 111.077 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 19' ' ' GLU . . . . . 0.445 ' O ' ' HG2' ' C' ' 22' ' ' ARG . 4.6 pt-20 -60.23 -31.77 70.5 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.865 0.364 . . . . 0.0 110.649 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 20' ' ' GLU . . . . . 0.407 ' N ' ' HG3' ' C' ' 19' ' ' GLU . 0.5 OUTLIER -75.66 -35.36 60.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.954 179.368 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 21' ' ' TYR . . . . . 0.906 ' CZ ' HD22 ' C' ' 17' ' ' LEU . 19.1 m-85 -70.05 -47.29 62.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.574 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 22' ' ' ARG . . . . . 0.479 ' HA ' ' HB2' ' C' ' 25' ' ' LEU . 30.7 ptt85 -57.99 -47.33 83.32 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.559 179.74 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 23' ' ' SER . . . . . 0.442 ' N ' ' HG3' ' C' ' 22' ' ' ARG . 2.4 p -57.36 -40.86 78.97 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.701 179.589 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 24' ' ' LYS . . . . . . . . . . . . . 8.6 ptmt -93.34 4.68 53.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.965 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 25' ' ' LEU . . . . . 0.912 HD11 HG12 ' D' ' 99' ' ' ILE . 0.7 OUTLIER -92.34 -74.26 0.52 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.946 -179.109 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 26' ' ' SER . . . . . 0.643 ' HB2' ' HD2' ' C' ' 31' ' ' ARG . 52.5 p -44.13 -28.26 0.48 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -178.35 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 27' ' ' GLN . . . . . 0.427 ' O ' ' HB ' ' C' ' 28' ' ' THR . 0.4 OUTLIER -70.9 55.49 0.18 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.833 0.349 . . . . 0.0 111.828 -178.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 28' ' ' THR . . . . . 0.819 HG22 ' O ' ' C' ' 25' ' ' LEU . 8.8 t -178.62 -60.28 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.741 179.427 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 29' ' ' GLU . . . . . 0.642 ' N ' HG23 ' C' ' 28' ' ' THR . 16.8 pt-20 -176.89 28.84 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.598 -179.186 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 30' ' ' ASP . . . . . 0.418 ' CB ' HD22 ' C' ' 25' ' ' LEU . 3.2 m-20 -134.83 44.81 2.6 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.955 0.407 . . . . 0.0 110.852 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 31' ' ' ARG . . . . . 0.643 ' HD2' ' HB2' ' C' ' 26' ' ' SER . 18.6 mmm180 -62.06 -47.24 85.57 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.389 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -40.31 89.69 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.311 0.577 . . . . 0.0 109.7 178.44 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 33' ' ' LEU . . . . . 0.73 HD21 ' HB3' ' D' ' 95' ' ' SER . 4.1 tp -59.87 -34.57 73.32 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.286 179.043 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 34' ' ' ARG . . . . . 0.621 ' HB2' ' HB3' ' C' ' 26' ' ' SER . 0.4 OUTLIER -61.11 -44.67 97.0 Favored 'General case' 0 CA--C 1.516 -0.346 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 178.721 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.64 -41.66 73.88 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.538 178.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 36' ' ' SER . . . . . 0.473 ' HB3' ' NE2' ' D' ' 91' ' ' GLN . 0.0 OUTLIER -63.45 -51.52 65.32 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.132 0.492 . . . . 0.0 110.164 179.379 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 37' ' ' ILE . . . . . 0.898 HD11 HD12 ' C' ' 25' ' ' LEU . 9.8 mt -57.88 -39.42 71.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.872 178.836 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.45 -46.02 73.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.083 -0.962 . . . . 0.0 110.547 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 39' ' ' ARG . . . . . 0.441 ' HB3' ' CB ' ' D' ' 88' ' ' ALA . 54.9 mtt180 -56.02 -49.68 73.02 Favored 'General case' 0 CA--C 1.514 -0.419 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 178.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 40' ' ' VAL . . . . . 0.608 ' O ' ' HB2' ' C' ' 44' ' ' PHE . 46.7 t -60.46 -32.82 52.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.693 179.664 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 41' ' ' ILE . . . . . 0.561 HD11 ' CB ' ' C' ' 18' ' ' LEU . 5.1 mm -70.25 -53.14 24.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 C-N-CA 121.016 -0.273 . . . . 0.0 111.562 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 11.3 t -64.53 -48.31 75.55 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-O 120.778 0.323 . . . . 0.0 111.049 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 43' ' ' ILE . . . . . 0.425 ' O ' ' CG ' ' C' ' 49' ' ' PHE . 8.5 mt -59.3 -34.6 54.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.28 179.623 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 44' ' ' PHE . . . . . 0.76 ' HB3' HD22 ' C' ' 15' ' ' LEU . 2.2 m-85 -72.71 -56.81 4.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.393 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 45' ' ' GLN . . . . . 0.407 ' HG2' ' O ' ' C' ' 41' ' ' ILE . 15.3 pt20 -80.1 -9.18 59.69 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -177.563 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 46' ' ' SER . . . . . 0.485 ' OG ' ' HB2' ' C' ' 49' ' ' PHE . 21.9 p -46.99 144.98 2.25 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.868 0.366 . . . . 0.0 111.079 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.55 -40.04 81.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.912 -179.268 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 48' ' ' LEU . . . . . 0.744 ' O ' HD12 ' C' ' 48' ' ' LEU . 2.0 tp -72.62 -48.22 41.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.572 -0.286 . . . . 0.0 111.447 -179.261 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 49' ' ' PHE . . . . . 0.957 ' O ' HD23 ' C' ' 52' ' ' LEU . 43.0 t80 -51.83 -56.76 12.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.803 0.335 . . . . 0.0 111.285 -179.366 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -57.21 -38.09 73.19 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.111 0.482 . . . . 0.0 110.59 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 51' ' ' ALA . . . . . 0.412 ' HB2' ' HD3' ' B' ' 135' ' ' LYS . . . -60.83 -46.53 90.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.554 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 52' ' ' LEU . . . . . 1.057 HD11 ' HA ' ' D' ' 125' ' ' LEU . 0.1 OUTLIER -68.09 -32.61 73.05 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 120.606 -0.437 . . . . 0.0 110.513 -179.706 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 53' ' ' ILE . . . . . 0.879 HG12 HD13 ' D' ' 125' ' ' LEU . 49.5 mt -58.86 -39.8 78.42 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 178.232 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -63.06 -40.6 98.18 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.261 178.219 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 55' ' ' ILE . . . . . 0.731 HD12 ' HA ' ' C' ' 52' ' ' LEU . 96.7 mt -54.54 -47.06 72.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.497 178.833 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 56' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -50.92 -24.24 3.46 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.789 -0.642 . . . . 0.0 111.59 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 57' ' ' GLU . . . . . 0.414 ' O ' ' CD2' ' C' ' 58' ' ' PHE . 59.4 mt-10 -45.88 -30.1 1.61 Allowed 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.853 0.359 . . . . 0.0 111.013 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 58' ' ' PHE . . . . . 0.414 ' CD2' ' O ' ' C' ' 57' ' ' GLU . 62.9 m-85 -156.9 27.4 0.32 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.086 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 59' ' ' TYR . . . . . 0.894 ' CD2' HD21 ' B' ' 128' ' ' LEU . 17.4 m-85 -134.22 74.84 1.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.644 179.718 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 60' ' ' GLU . . . . . 0.411 ' HB2' ' HB ' ' A' ' 62' ' ' THR . 1.3 mm-40 -59.4 102.08 0.13 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.944 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 61' ' ' VAL . . . . . 0.49 HG13 HG12 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -81.62 96.71 3.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.93 0.395 . . . . 0.0 110.865 179.814 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 62' ' ' THR . . . . . 0.492 ' HB ' ' HB2' ' A' ' 60' ' ' GLU . 2.7 m -81.24 114.07 19.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.214 179.537 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 63' ' ' LEU . . . . . 0.492 HD11 ' CZ ' ' A' ' 59' ' ' TYR . 0.2 OUTLIER -88.45 132.69 34.37 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.333 -179.587 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 64' ' ' LEU . . . . . 0.799 ' N ' HD23 ' C' ' 64' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.721 179.631 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 82' ' ' LEU . . . . . 0.868 ' N ' HD23 ' D' ' 82' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.457 -0.112 0 CA-C-O 121.113 0.482 . . . . 0.0 109.941 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 83' ' ' LEU . . . . . 1.033 HD23 ' H ' ' D' ' 84' ' ' ALA . 0.2 OUTLIER -55.05 -50.68 68.49 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.156 -179.229 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' D' D ' 84' ' ' ALA . . . . . 1.033 ' H ' HD23 ' D' ' 83' ' ' LEU . . . -72.03 -26.48 62.22 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.304 -179.27 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 85' ' ' ALA . . . . . 0.885 ' HB1' ' HB2' ' D' ' 126' ' ' LEU . . . -52.84 -26.35 14.31 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.989 0.423 . . . . 0.0 110.41 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 86' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -123.3 -41.48 2.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.699 178.757 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 87' ' ' ARG . . . . . 0.8 ' HB3' ' O ' ' D' ' 83' ' ' LEU . 13.5 ttt180 -61.68 -52.54 63.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.996 178.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 88' ' ' ALA . . . . . 0.701 ' HB3' ' O ' ' D' ' 84' ' ' ALA . . . -58.63 -40.08 82.32 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.864 179.758 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 89' ' ' VAL . . . . . 0.5 ' CG1' ' HB3' ' D' ' 117' ' ' PHE . 59.7 t -65.61 -56.24 16.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.322 179.228 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.63 -22.88 64.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.897 179.471 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 91' ' ' GLN . . . . . 0.531 ' NE2' ' HA ' ' D' ' 88' ' ' ALA . 11.7 mt-30 -67.43 -57.25 6.91 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-O 121.276 0.56 . . . . 0.0 109.787 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 92' ' ' VAL . . . . . 0.859 HG11 HD22 ' C' ' 18' ' ' LEU . 8.2 t -69.49 -28.29 37.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.926 179.042 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 93' ' ' LEU . . . . . 0.791 HD21 ' HA ' ' D' ' 114' ' ' HIS . 3.7 mt -69.72 -26.99 64.6 Favored 'General case' 0 N--CA 1.457 -0.121 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.152 179.453 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.34 -45.46 10.56 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-O 120.881 0.372 . . . . 0.0 111.183 -179.663 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 95' ' ' SER . . . . . 0.73 ' HB3' HD21 ' C' ' 33' ' ' LEU . 0.5 OUTLIER -79.7 -9.64 59.67 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.801 -179.5 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' D' D ' 96' ' ' LEU . . . . . 0.785 HD13 ' HB3' ' D' ' 110' ' ' LEU . 0.1 OUTLIER -43.5 -52.12 6.31 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.065 0.459 . . . . 0.0 111.829 -179.575 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -68.19 -27.29 66.27 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.108 -179.41 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 98' ' ' GLU . . . . . 0.819 ' O ' ' HB3' ' D' ' 101' ' ' ALA . 0.1 OUTLIER -71.6 -35.77 70.61 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 178.143 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' D' D ' 99' ' ' ILE . . . . . 0.912 HG12 HD11 ' C' ' 25' ' ' LEU . 86.3 mt -59.55 -49.71 82.66 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.7 0 CA-C-N 114.677 -1.147 . . . . 0.0 109.605 178.329 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 100' ' ' HIS . . . . . 0.904 ' HB2' HD11 ' D' ' 110' ' ' LEU . 0.1 OUTLIER -57.79 -34.76 69.97 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 178.339 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' D' D ' 101' ' ' ALA . . . . . 0.819 ' HB3' ' O ' ' D' ' 98' ' ' GLU . . . -54.71 -43.09 72.27 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.569 -1.196 . . . . 0.0 111.665 179.334 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 102' ' ' LEU . . . . . 0.785 HD21 ' OE2' ' D' ' 98' ' ' GLU . 0.3 OUTLIER -118.49 22.18 12.21 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 -177.509 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' D' D ' 103' ' ' THR . . . . . 0.694 HG23 HD12 ' D' ' 102' ' ' LEU . 36.6 p -143.09 -8.19 0.8 Allowed 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 112.509 0.559 . . . . 0.0 112.509 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 2.8 t0 55.3 22.26 4.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.833 0.349 . . . . 0.0 110.97 -179.49 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 105' ' ' SER . . . . . 0.46 ' HB3' ' CE1' ' C' ' 21' ' ' TYR . 12.1 p -57.51 -23.05 47.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.946 179.601 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 106' ' ' SER . . . . . . . . . . . . . 1.7 p 79.42 127.98 0.05 OUTLIER 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.003 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 107' ' ' GLU . . . . . 0.573 ' HA ' HD12 ' D' ' 110' ' ' LEU . 2.5 mm-40 -54.72 -23.61 18.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.909 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.3 -55.17 38.41 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 121.021 0.439 . . . . 0.0 110.132 179.518 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 109' ' ' ASP . . . . . 0.789 ' O ' HD12 ' D' ' 113' ' ' LEU . 4.5 m-20 -63.19 -38.56 91.66 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.828 179.13 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 110' ' ' LEU . . . . . 0.904 HD11 ' HB2' ' D' ' 100' ' ' HIS . 61.8 mt -64.42 -35.23 80.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.301 179.298 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 111' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -63.19 -48.83 76.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.692 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 112' ' ' PHE . . . . . 0.551 ' O ' HG23 ' D' ' 116' ' ' VAL . 2.0 t80 -59.03 -41.37 87.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.453 179.772 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 113' ' ' LEU . . . . . 0.789 HD12 ' O ' ' D' ' 109' ' ' ASP . 0.4 OUTLIER -71.68 -38.89 70.56 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.174 -179.582 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' D' D ' 114' ' ' HIS . . . . . 0.791 ' HA ' HD21 ' D' ' 93' ' ' LEU . 0.3 OUTLIER -60.6 -35.19 75.51 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 178.877 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' D' D ' 115' ' ' SER . . . . . . . . . . . . . 8.7 t -72.4 -35.51 68.42 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 177.688 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 116' ' ' VAL . . . . . 0.932 HG11 ' CB ' ' C' ' 14' ' ' ALA . 17.6 t -65.06 -23.81 34.12 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 CA-C-N 115.056 -0.974 . . . . 0.0 109.392 177.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 117' ' ' PHE . . . . . 0.781 ' CZ ' HD11 ' C' ' 18' ' ' LEU . 7.6 m-85 -100.68 -25.92 13.98 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.294 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 118' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' D' ' 114' ' ' HIS . 0.6 OUTLIER -73.79 -26.89 60.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.36 -179.481 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -41.46 134.54 2.28 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.938 -179.267 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 120' ' ' GLN . . . . . . . . . . . . . 4.6 tm0? -71.6 -50.45 30.77 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.665 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 121' ' ' HIS . . . . . . . . . . . . . 23.1 m80 -55.87 -34.26 65.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.447 179.576 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 122' ' ' LEU . . . . . 0.871 HD22 ' O ' ' D' ' 116' ' ' VAL . 53.6 tp -56.07 -47.78 77.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.098 179.5 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 123' ' ' HIS . . . . . 0.798 ' HA ' HD12 ' D' ' 126' ' ' LEU . 61.7 m80 -53.03 -27.5 19.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.152 0.501 . . . . 0.0 109.952 178.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 124' ' ' THR . . . . . 0.42 HG22 ' CD1' ' D' ' 128' ' ' LEU . 4.6 m -77.77 -30.41 51.42 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.666 179.082 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 125' ' ' LEU . . . . . 1.057 ' HA ' HD11 ' C' ' 52' ' ' LEU . 28.6 mt -69.47 -43.87 72.34 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.334 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 126' ' ' LEU . . . . . 0.885 ' HB2' ' HB1' ' D' ' 85' ' ' ALA . 0.3 OUTLIER -71.41 -39.35 71.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.977 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' D' D ' 127' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -66.85 -41.74 86.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.573 -179.499 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 128' ' ' LEU . . . . . 0.974 HD21 ' CD2' ' A' ' 59' ' ' TYR . 72.3 mt -75.82 -40.25 55.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.921 0.391 . . . . 0.0 110.862 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 129' ' ' TYR . . . . . 0.419 ' O ' HD23 ' C' ' 48' ' ' LEU . 2.4 t80 -55.6 -51.31 67.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.905 -179.683 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 130' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -75.57 -29.62 59.39 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 131' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.22 -49.91 75.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.697 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 132' ' ' ILE . . . . . 0.872 ' CG1' HD11 ' A' ' 55' ' ' ILE . 2.5 mt -75.42 -33.25 27.08 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 CA-C-O 121.006 0.432 . . . . 0.0 110.808 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 133' ' ' ASN . . . . . 0.465 ' HB2' HD23 ' C' ' 48' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.26 -179.56 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.7 mtm180 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.407 ' HA ' ' OG1' ' A' ' 11' ' ' THR . 0.1 OUTLIER -64.0 -37.94 89.24 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 179.247 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -72.39 -32.43 66.39 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.604 178.635 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.54 ' HB3' HG22 ' B' ' 116' ' ' VAL . 4.7 m-20 -76.96 -29.91 55.79 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.36 179.724 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.426 HG21 HD13 ' A' ' 53' ' ' ILE . 1.3 p -70.24 -42.83 71.7 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.284 179.696 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.32 -35.2 71.15 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 179.23 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.6 tpt180 -76.04 -25.27 55.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.85 178.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.823 ' CB ' HG11 ' B' ' 116' ' ' VAL . . . -78.68 -54.52 6.03 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.563 178.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.865 ' HA ' HD12 ' A' ' 18' ' ' LEU . 0.4 OUTLIER -63.92 -26.85 68.78 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.687 179.363 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -73.62 -45.02 55.47 Favored 'General case' 0 CA--C 1.519 -0.215 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 178.797 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.939 HD22 ' CE1' ' A' ' 21' ' ' TYR . 2.0 mt -62.61 -37.15 85.14 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.344 178.718 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.898 HD22 HG11 ' B' ' 92' ' ' VAL . 47.0 mt -60.24 -48.2 82.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.521 179.657 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.419 ' O ' ' CG ' ' A' ' 22' ' ' ARG . 34.4 mt-10 -57.81 -44.0 86.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.772 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.44 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 14.0 mt-10 -70.16 -34.59 73.21 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.153 0.501 . . . . 0.0 109.695 179.427 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.939 ' CE1' HD22 ' A' ' 17' ' ' LEU . 12.0 m-30 -66.09 -46.43 77.66 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.906 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.419 ' CG ' ' O ' ' A' ' 19' ' ' GLU . 38.0 ptt85 -60.18 -39.69 87.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.897 0.38 . . . . 0.0 110.217 179.438 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.44 -46.41 80.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.264 179.268 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.44 ' HG3' ' O ' ' A' ' 20' ' ' GLU . 38.3 mtpt -81.05 -23.41 38.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.981 179.425 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.904 HD12 HD11 ' A' ' 37' ' ' ILE . 0.2 OUTLIER -69.6 -74.1 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.872 -179.185 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.461 ' HB3' ' HB2' ' A' ' 34' ' ' ARG . 1.4 p -57.16 -162.73 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.437 -179.145 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.406 ' OE1' ' NH1' ' A' ' 31' ' ' ARG . 1.5 mp0 60.58 30.22 19.58 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.423 -179.742 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.628 HG23 ' H ' ' A' ' 29' ' ' GLU . 6.0 t -154.25 -58.57 0.12 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.295 -179.587 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.628 ' H ' HG23 ' A' ' 28' ' ' THR . 17.0 pt-20 -174.97 28.25 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.756 -179.28 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.402 ' CB ' HD22 ' A' ' 25' ' ' LEU . 0.7 OUTLIER -146.99 53.48 1.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.018 0.437 . . . . 0.0 110.931 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.406 ' NH1' ' OE1' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -64.78 -49.37 70.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.024 179.588 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.83 -51.34 69.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.117 179.214 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.806 ' CD2' HD11 ' A' ' 25' ' ' LEU . 35.6 tp -52.6 -35.02 53.42 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.074 179.027 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.461 ' HB2' ' HB3' ' A' ' 26' ' ' SER . 6.6 ttp180 -60.51 -41.86 95.2 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 178.63 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.2 t -60.45 -34.56 74.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.171 179.104 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.512 ' O ' ' HG2' ' A' ' 39' ' ' ARG . 0.8 OUTLIER -66.69 -46.22 76.31 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.233 0.539 . . . . 0.0 110.387 179.509 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.904 HD11 HD12 ' A' ' 25' ' ' LEU . 52.4 mt -61.15 -39.53 82.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.867 178.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -62.19 -51.52 67.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.122 -0.945 . . . . 0.0 111.914 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.772 ' HG3' ' HB1' ' B' ' 88' ' ' ALA . 4.5 ptp180 -55.33 -38.52 68.84 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.04 -179.742 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.437 HG12 ' CD1' ' A' ' 44' ' ' PHE . 88.0 t -63.93 -40.95 90.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 178.405 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.581 HG12 ' O ' ' A' ' 37' ' ' ILE . 8.3 mm -55.36 -56.6 10.79 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.164 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.363 179.506 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.9 t -60.03 -47.55 85.4 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.914 0.388 . . . . 0.0 110.787 -179.429 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.427 ' O ' ' CG ' ' A' ' 49' ' ' PHE . 22.1 mt -59.86 -34.26 55.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.078 179.333 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.74 ' HB3' HD22 ' A' ' 15' ' ' LEU . 1.2 m-85 -72.47 -57.62 4.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.768 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -77.98 -2.26 36.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.788 -179.029 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.55 ' HG ' ' HE1' ' B' ' 129' ' ' TYR . 0.1 OUTLIER -49.44 141.23 9.35 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.931 0.396 . . . . 0.0 111.046 -179.858 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.98 -36.07 76.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.328 -179.522 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.841 ' O ' HD12 ' A' ' 48' ' ' LEU . 0.9 OUTLIER -79.44 -45.27 19.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.147 -179.759 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.621 ' CE1' HD23 ' B' ' 126' ' ' LEU . 51.2 t80 -51.15 -56.17 14.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.264 -179.52 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -56.91 -36.67 70.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.891 0.377 . . . . 0.0 110.519 179.68 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.18 -44.34 92.19 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.405 179.385 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.577 HD21 ' HB3' ' B' ' 128' ' ' LEU . 3.6 mt -60.75 -43.7 97.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.979 179.177 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.852 HG12 HD13 ' B' ' 125' ' ' LEU . 7.1 mt -55.24 -39.57 52.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.621 179.48 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -63.33 -44.02 96.11 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.235 179.328 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.534 HG22 ' HB2' ' A' ' 59' ' ' TYR . 64.1 mt -62.03 -35.63 69.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.633 179.369 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.4 tm0? -57.17 -18.09 13.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.685 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.432 ' O ' ' CD1' ' A' ' 58' ' ' PHE . 5.8 mm-40 -43.84 -46.26 7.81 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 120.672 0.272 . . . . 0.0 111.6 -179.679 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.432 ' CD1' ' O ' ' A' ' 57' ' ' GLU . 15.8 m-85 -149.14 30.38 0.78 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.642 -179.695 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.84 ' CE2' HD11 ' C' ' 63' ' ' LEU . 9.3 m-85 -129.83 71.17 1.44 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.816 179.654 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.462 ' HG3' HD22 ' C' ' 64' ' ' LEU . 1.6 mt-10 -58.51 93.97 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.84 0.352 . . . . 0.0 110.799 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.659 HG23 HG21 ' B' ' 124' ' ' THR . 0.0 OUTLIER -72.92 98.88 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.102 -179.908 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.401 ' HB ' ' HB2' ' C' ' 60' ' ' GLU . 5.5 m -78.94 121.69 25.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.328 179.542 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.514 HD11 ' CZ ' ' C' ' 59' ' ' TYR . 0.1 OUTLIER -93.67 131.58 38.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.033 0.444 . . . . 0.0 111.213 -179.914 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.643 HD23 ' N ' ' A' ' 64' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.918 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 82' ' ' LEU . . . . . 0.419 ' HB2' ' OD2' ' B' ' 130' ' ' ASP . 8.2 tt . . . . . 0 N--CA 1.448 -0.55 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 83' ' ' LEU . . . . . 0.947 HD23 ' H ' ' B' ' 84' ' ' ALA . 0.5 OUTLIER -73.18 -43.76 60.92 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.457 179.422 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 1.114 ' HB1' ' HB2' ' B' ' 88' ' ' ALA . . . -79.62 -17.78 53.05 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 114.875 -1.057 . . . . 0.0 111.052 -179.723 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 85' ' ' ALA . . . . . 0.868 ' HB1' ' HB3' ' B' ' 126' ' ' LEU . . . -51.75 -24.49 5.94 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 178.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -127.24 -36.89 2.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.973 178.36 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 87' ' ' ARG . . . . . 0.655 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 17.1 ttt-85 -69.86 -34.75 74.02 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.961 179.726 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 88' ' ' ALA . . . . . 1.114 ' HB2' ' HB1' ' B' ' 84' ' ' ALA . . . -73.45 -41.53 63.09 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.792 -179.698 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 89' ' ' VAL . . . . . 0.649 HG13 ' CD1' ' B' ' 117' ' ' PHE . 40.8 t -69.88 -34.2 59.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.319 179.242 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 90' ' ' SER . . . . . 0.432 ' HA ' ' HB2' ' B' ' 93' ' ' LEU . 1.2 m -75.16 -27.58 59.75 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.598 179.43 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 91' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -66.92 -55.55 14.15 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-O 121.3 0.571 . . . . 0.0 109.697 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 92' ' ' VAL . . . . . 0.898 HG11 HD22 ' A' ' 18' ' ' LEU . 6.8 t -66.54 -27.7 41.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.844 179.095 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 93' ' ' LEU . . . . . 0.742 HD21 ' HA ' ' B' ' 114' ' ' HIS . 2.9 mt -65.86 -35.9 81.95 Favored 'General case' 0 N--CA 1.458 -0.067 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.507 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -81.8 -39.59 23.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.947 0.403 . . . . 0.0 111.067 -179.373 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 95' ' ' SER . . . . . 0.686 ' OG ' HD11 ' A' ' 33' ' ' LEU . 1.2 p -80.08 -20.18 45.76 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.257 -179.444 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 96' ' ' LEU . . . . . 0.525 HD22 HD22 ' B' ' 110' ' ' LEU . 0.1 OUTLIER -34.71 -52.84 0.53 Allowed 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 112.643 0.609 . . . . 0.0 112.643 -179.036 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -71.38 -29.55 65.08 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.005 0.431 . . . . 0.0 111.285 -179.259 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 98' ' ' GLU . . . . . 0.812 ' O ' ' HB3' ' B' ' 101' ' ' ALA . 0.2 OUTLIER -69.95 -33.02 71.56 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 177.76 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 99' ' ' ILE . . . . . 0.562 HG23 HG21 ' B' ' 103' ' ' THR . 13.8 mt -63.01 -49.55 83.12 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.879 0 CA-C-N 114.556 -1.202 . . . . 0.0 109.963 178.642 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 100' ' ' HIS . . . . . 0.857 ' HB2' HD11 ' B' ' 110' ' ' LEU . 1.9 t-160 -56.9 -34.29 67.76 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 177.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 101' ' ' ALA . . . . . 0.812 ' HB3' ' O ' ' B' ' 98' ' ' GLU . . . -55.44 -44.94 76.81 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.432 -1.258 . . . . 0.0 111.667 179.255 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 102' ' ' LEU . . . . . 0.689 HD12 HG23 ' B' ' 103' ' ' THR . 0.3 OUTLIER -117.03 21.51 13.18 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -177.661 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 103' ' ' THR . . . . . 0.689 HG23 HD12 ' B' ' 102' ' ' LEU . 28.4 p -140.32 -5.74 1.23 Allowed 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 179.776 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 45.9 26.7 0.41 Allowed 'General case' 0 CA--C 1.528 0.133 0 CA-C-O 120.851 0.358 . . . . 0.0 111.061 -179.282 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 105' ' ' SER . . . . . 0.449 ' HB3' ' CE1' ' A' ' 21' ' ' TYR . 0.0 OUTLIER -50.54 -83.03 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.991 179.906 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 165.36 105.3 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.286 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -47.3 -34.91 7.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.881 0.372 . . . . 0.0 110.836 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 9.8 tptm -63.1 -47.59 82.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.105 0.479 . . . . 0.0 109.836 179.171 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 109' ' ' ASP . . . . . 0.691 ' O ' HD12 ' B' ' 113' ' ' LEU . 56.4 m-20 -65.19 -37.36 87.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.85 178.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 110' ' ' LEU . . . . . 0.857 HD11 ' HB2' ' B' ' 100' ' ' HIS . 29.6 mt -59.89 -41.49 91.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.152 179.15 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 111' ' ' ASP . . . . . 0.428 ' HA ' ' HD2' ' B' ' 114' ' ' HIS . 0.6 OUTLIER -64.22 -42.1 96.73 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.708 179.851 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -58.42 -37.33 75.15 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.253 179.595 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 113' ' ' LEU . . . . . 0.691 HD12 ' O ' ' B' ' 109' ' ' ASP . 0.5 OUTLIER -76.62 -29.28 56.42 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.739 179.764 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 114' ' ' HIS . . . . . 0.742 ' HA ' HD21 ' B' ' 93' ' ' LEU . 0.0 OUTLIER -62.86 -33.99 76.41 Favored 'General case' 0 CA--C 1.519 -0.249 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 178.526 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 28.5 t -75.98 -38.97 56.87 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 178.608 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 116' ' ' VAL . . . . . 0.823 HG11 ' CB ' ' A' ' 14' ' ' ALA . 25.4 t -61.72 -23.55 31.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.799 178.429 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 117' ' ' PHE . . . . . 0.649 ' CD1' HG13 ' B' ' 89' ' ' VAL . 21.9 m-85 -100.39 -31.47 11.3 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.442 -179.648 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 118' ' ' GLN . . . . . 0.506 ' NE2' ' ND1' ' B' ' 114' ' ' HIS . 0.0 OUTLIER -67.34 -29.34 68.86 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 111.93 0.345 . . . . 0.0 111.93 -178.955 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 119' ' ' ASP . . . . . 0.41 ' HB3' ' HB2' ' B' ' 122' ' ' LEU . 0.4 OUTLIER -43.89 117.75 1.27 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.899 0.381 . . . . 0.0 111.623 -179.306 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -60.78 -44.59 96.6 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.84 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 20.9 m170 -55.45 -33.31 63.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.638 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 122' ' ' LEU . . . . . 0.807 HD22 ' O ' ' B' ' 116' ' ' VAL . 25.7 tp -55.46 -48.65 74.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.762 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 123' ' ' HIS . . . . . 0.942 ' HA ' HD12 ' B' ' 126' ' ' LEU . 0.0 OUTLIER -55.34 -25.78 36.91 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 179.206 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 124' ' ' THR . . . . . 0.659 HG21 HG23 ' A' ' 61' ' ' VAL . 1.4 m -74.85 -37.74 62.15 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.475 178.872 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 125' ' ' LEU . . . . . 0.852 HD13 HG12 ' A' ' 53' ' ' ILE . 2.1 mt -73.1 -31.99 64.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.499 178.62 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 126' ' ' LEU . . . . . 0.942 HD12 ' HA ' ' B' ' 123' ' ' HIS . 5.7 mt -73.23 -50.44 22.41 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.648 179.705 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -65.43 -42.84 92.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.226 179.466 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 128' ' ' LEU . . . . . 0.907 HD21 ' CD2' ' C' ' 59' ' ' TYR . 80.5 mt -68.49 -33.03 73.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.209 179.348 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 129' ' ' TYR . . . . . 0.55 ' HE1' ' HG ' ' A' ' 46' ' ' SER . 4.5 t80 -58.64 -52.73 64.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.77 -179.618 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 130' ' ' ASP . . . . . 0.419 ' OD2' ' HB2' ' B' ' 82' ' ' LEU . 0.3 OUTLIER -76.74 -26.58 54.75 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.831 -0.347 . . . . 0.0 111.259 179.589 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 131' ' ' LYS . . . . . 0.415 ' HB2' ' HA ' ' B' ' 128' ' ' LEU . 2.1 mmmp? -54.99 -54.05 47.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.634 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 132' ' ' ILE . . . . . 0.758 HD12 ' O ' ' B' ' 128' ' ' LEU . 1.9 mt -75.96 -38.64 36.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 133' ' ' ASN . . . . . 0.529 ' HB2' HD23 ' A' ' 48' ' ' LEU . 27.9 t30 -64.18 -32.03 73.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 67.5 m -84.61 -18.71 34.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.546 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.63 -69.19 0.29 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.945 0.402 . . . . 0.0 110.441 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.713 179.712 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 7' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 1.6 tttm -61.14 -40.37 93.57 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 121.186 0.517 . . . . 0.0 109.741 179.025 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -75.45 -29.67 59.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.284 179.129 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 10' ' ' ASP . . . . . 0.703 ' HB3' HG22 ' D' ' 116' ' ' VAL . 77.2 m-20 -77.54 -29.91 52.53 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.612 179.667 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 11' ' ' THR . . . . . 0.691 HG22 ' HE1' ' C' ' 44' ' ' PHE . 1.1 p -73.72 -44.3 56.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.42 179.601 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 12' ' ' GLN . . . . . 0.57 ' HA ' HD23 ' C' ' 15' ' ' LEU . 0.0 OUTLIER -68.28 -39.36 82.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.424 179.581 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 6.0 tpp85 -74.22 -25.12 59.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.156 179.281 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 14' ' ' ALA . . . . . 0.799 ' CB ' HG11 ' D' ' 116' ' ' VAL . . . -78.61 -48.4 15.19 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.155 179.22 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 15' ' ' LEU . . . . . 0.776 HD22 ' HB3' ' C' ' 44' ' ' PHE . 0.4 OUTLIER -67.51 -26.38 66.32 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.831 179.78 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 16' ' ' HIS . . . . . 0.411 ' HB2' ' O ' ' C' ' 12' ' ' GLN . 3.9 t60 -73.54 -48.14 35.38 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 178.55 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 17' ' ' LEU . . . . . 0.937 HD22 ' CE1' ' C' ' 21' ' ' TYR . 1.3 mt -60.97 -37.87 83.95 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.461 -0.791 . . . . 0.0 109.466 178.625 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 18' ' ' LEU . . . . . 0.883 ' CD2' HG11 ' D' ' 92' ' ' VAL . 23.7 mt -60.55 -50.38 73.76 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.845 -1.071 . . . . 0.0 110.822 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 19' ' ' GLU . . . . . 0.424 ' O ' ' CG ' ' C' ' 22' ' ' ARG . 0.8 OUTLIER -57.87 -36.41 72.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.682 179.942 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 20' ' ' GLU . . . . . 0.504 ' O ' ' HG3' ' C' ' 24' ' ' LYS . 3.2 mt-10 -71.86 -36.61 70.17 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.028 179.529 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 21' ' ' TYR . . . . . 0.937 ' CE1' HD22 ' C' ' 17' ' ' LEU . 7.6 m-30 -64.4 -49.17 72.61 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.461 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 22' ' ' ARG . . . . . 0.439 ' HB2' ' CG ' ' C' ' 34' ' ' ARG . 0.4 OUTLIER -55.85 -42.74 76.28 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 120.801 0.334 . . . . 0.0 110.462 179.28 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 23' ' ' SER . . . . . 0.427 ' O ' ' HG3' ' C' ' 27' ' ' GLN . 1.5 m -63.25 -29.43 70.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.415 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 24' ' ' LYS . . . . . 0.504 ' HG3' ' O ' ' C' ' 20' ' ' GLU . 0.0 OUTLIER -119.64 22.81 11.48 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-O 120.82 0.343 . . . . 0.0 111.391 -179.88 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 25' ' ' LEU . . . . . 0.747 HD23 HD13 ' D' ' 102' ' ' LEU . 0.0 OUTLIER -126.63 -62.52 1.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.778 -179.561 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 26' ' ' SER . . . . . 0.467 ' HB2' ' CD ' ' C' ' 34' ' ' ARG . 30.8 m -69.27 -13.64 62.5 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.435 -178.352 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 27' ' ' GLN . . . . . 0.427 ' HG3' ' O ' ' C' ' 23' ' ' SER . 2.4 mm-40 -83.07 56.71 3.59 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.853 0.358 . . . . 0.0 110.718 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 28' ' ' THR . . . . . 0.456 ' CG2' ' N ' ' C' ' 29' ' ' GLU . 1.6 t -171.61 -50.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.325 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 29' ' ' GLU . . . . . 0.456 ' N ' ' CG2' ' C' ' 28' ' ' THR . 18.9 pt-20 -172.69 27.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.695 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -139.65 48.93 1.81 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.865 0.364 . . . . 0.0 111.403 -179.736 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 31' ' ' ARG . . . . . 0.416 ' NH1' ' OE1' ' C' ' 27' ' ' GLN . 1.0 OUTLIER -59.13 -51.74 68.73 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 121.075 0.464 . . . . 0.0 110.356 179.528 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -55.02 -45.31 75.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.252 0.548 . . . . 0.0 109.7 178.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 33' ' ' LEU . . . . . 0.508 ' CD2' HD11 ' C' ' 25' ' ' LEU . 3.5 tp -54.97 -33.66 62.6 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.899 178.781 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 34' ' ' ARG . . . . . 0.467 ' CD ' ' HB2' ' C' ' 26' ' ' SER . 2.0 ttp180 -60.47 -48.78 80.25 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.361 178.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 47.2 t -55.35 -37.12 67.06 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.86 -1.064 . . . . 0.0 110.781 179.619 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 66.4 m -67.92 -51.86 42.9 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.977 0.418 . . . . 0.0 110.354 179.564 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 37' ' ' ILE . . . . . 0.668 ' O ' HG12 ' C' ' 41' ' ' ILE . 63.6 mt -58.47 -38.44 70.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.273 0.559 . . . . 0.0 109.526 178.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -59.3 -52.45 65.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 114.98 -1.009 . . . . 0.0 111.97 -179.612 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 39' ' ' ARG . . . . . 0.908 ' NH1' HE22 ' D' ' 91' ' ' GLN . 3.9 ptp180 -57.1 -41.38 78.82 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.316 -0.554 . . . . 0.0 110.001 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 40' ' ' VAL . . . . . 0.63 HG12 ' CD2' ' C' ' 44' ' ' PHE . 66.4 t -60.98 -31.61 50.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.482 -0.327 . . . . 0.0 110.285 178.419 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 41' ' ' ILE . . . . . 0.725 HD11 ' CB ' ' C' ' 18' ' ' LEU . 20.0 mm -68.23 -61.16 1.8 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.883 179.476 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 48.0 t -55.41 -46.5 76.63 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-O 121.114 0.483 . . . . 0.0 110.455 -179.652 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 43' ' ' ILE . . . . . 0.464 HG23 ' CE2' ' D' ' 129' ' ' TYR . 8.8 mt -59.99 -33.19 52.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.838 178.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 44' ' ' PHE . . . . . 0.776 ' HB3' HD22 ' C' ' 15' ' ' LEU . 0.3 OUTLIER -71.99 -59.0 2.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.451 179.753 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 45' ' ' GLN . . . . . 0.406 ' HG2' ' O ' ' C' ' 41' ' ' ILE . 19.9 pt20 -75.47 -4.18 38.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.863 -179.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 46' ' ' SER . . . . . 0.411 ' OG ' ' CZ ' ' D' ' 129' ' ' TYR . 0.3 OUTLIER -47.98 137.51 10.08 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.924 0.392 . . . . 0.0 111.17 -179.865 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.12 -39.27 81.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.287 -179.724 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 48' ' ' LEU . . . . . 0.749 ' O ' HD12 ' C' ' 48' ' ' LEU . 2.6 tp -75.38 -45.36 39.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.073 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 49' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -51.17 -53.48 34.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.722 0.296 . . . . 0.0 111.141 -179.667 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 50' ' ' GLN . . . . . 0.538 ' OE1' HD12 ' C' ' 53' ' ' ILE . 20.7 mm-40 -57.35 -38.66 74.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.595 179.53 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.79 -43.1 90.4 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.06 0.457 . . . . 0.0 110.304 179.42 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 1.9 mt -61.46 -44.22 97.49 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.076 179.198 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 53' ' ' ILE . . . . . 0.538 HD12 ' OE1' ' C' ' 50' ' ' GLN . 45.3 mt -54.69 -40.07 49.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.674 179.504 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -66.44 -38.76 88.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.232 179.361 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 55' ' ' ILE . . . . . 0.735 HG22 ' HB2' ' C' ' 59' ' ' TYR . 69.0 mt -59.14 -46.0 92.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.547 179.409 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 56' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -52.06 -24.48 6.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.468 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 57' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -48.83 -30.4 5.71 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.277 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 58' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -155.95 25.19 0.38 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.56 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 59' ' ' TYR . . . . . 0.907 ' CD2' HD21 ' B' ' 128' ' ' LEU . 42.7 m-85 -134.89 72.83 1.46 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.255 179.502 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 60' ' ' GLU . . . . . 0.413 ' HG3' HD21 ' A' ' 64' ' ' LEU . 28.4 mt-10 -60.43 99.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.017 -179.447 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 61' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -72.68 96.68 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.984 0.421 . . . . 0.0 110.296 179.568 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 62' ' ' THR . . . . . 0.402 ' HB ' ' HB2' ' A' ' 60' ' ' GLU . 3.5 m -82.36 120.14 25.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.121 -179.574 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 63' ' ' LEU . . . . . 0.84 HD11 ' CE2' ' A' ' 59' ' ' TYR . 0.9 OUTLIER -89.87 124.51 34.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.139 179.333 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 64' ' ' LEU . . . . . 0.664 ' N ' HD23 ' C' ' 64' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.256 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 82' ' ' LEU . . . . . 0.602 ' N ' HD12 ' D' ' 82' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 83' ' ' LEU . . . . . 0.977 HD23 ' H ' ' D' ' 84' ' ' ALA . 0.4 OUTLIER -75.23 -44.92 43.46 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.881 179.876 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' D' D ' 84' ' ' ALA . . . . . 0.977 ' H ' HD23 ' D' ' 83' ' ' LEU . . . -82.51 -21.08 35.61 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.996 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 85' ' ' ALA . . . . . 0.882 ' HB1' ' HB2' ' D' ' 126' ' ' LEU . . . -52.02 -26.09 9.98 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-O 121.142 0.496 . . . . 0.0 110.179 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 86' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -124.93 -33.36 2.93 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.094 178.801 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 87' ' ' ARG . . . . . 0.727 ' HB3' ' O ' ' D' ' 83' ' ' LEU . 26.9 ttt180 -69.15 -53.5 19.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.664 178.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 88' ' ' ALA . . . . . 0.938 ' HB2' ' HB1' ' D' ' 84' ' ' ALA . . . -57.92 -42.51 84.94 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.783 179.489 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 89' ' ' VAL . . . . . 0.813 HG13 ' CD1' ' D' ' 117' ' ' PHE . 44.0 t -72.58 -56.12 10.89 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.515 179.486 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 90' ' ' SER . . . . . 0.409 ' HA ' ' HB2' ' D' ' 93' ' ' LEU . 63.5 m -58.8 -25.01 62.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.319 179.103 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 91' ' ' GLN . . . . . 0.908 HE22 ' NH1' ' C' ' 39' ' ' ARG . 33.7 mt-30 -66.77 -58.08 5.78 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.773 179.323 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 92' ' ' VAL . . . . . 0.883 HG11 ' CD2' ' C' ' 18' ' ' LEU . 16.9 t -67.76 -27.95 39.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.877 179.277 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 93' ' ' LEU . . . . . 0.718 HD21 ' HA ' ' D' ' 114' ' ' HIS . 2.5 mt -66.34 -33.54 75.96 Favored 'General case' 0 N--CA 1.456 -0.164 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.9 179.252 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -88.16 -30.68 19.61 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.059 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 95' ' ' SER . . . . . 0.489 ' CB ' HD11 ' C' ' 33' ' ' LEU . 0.3 OUTLIER -79.79 -25.17 41.0 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.887 -179.516 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' D' D ' 96' ' ' LEU . . . . . 0.792 HD22 ' CD2' ' D' ' 110' ' ' LEU . 0.2 OUTLIER -41.46 -52.25 3.65 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.011 0.434 . . . . 0.0 111.917 -179.26 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -61.97 -32.54 73.0 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.969 0.414 . . . . 0.0 110.657 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 98' ' ' GLU . . . . . 0.766 ' O ' ' HB3' ' D' ' 101' ' ' ALA . 0.0 OUTLIER -70.76 -37.35 73.38 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 177.935 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' D' D ' 99' ' ' ILE . . . . . 0.646 HD12 HD23 ' D' ' 96' ' ' LEU . 18.8 mt -57.85 -47.93 85.04 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.657 0 CA-C-N 114.464 -1.244 . . . . 0.0 109.685 178.461 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 100' ' ' HIS . . . . . 0.714 ' HB2' HD11 ' D' ' 110' ' ' LEU . 9.5 t-160 -55.96 -41.3 74.51 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-O 122.008 0.909 . . . . 0.0 108.721 178.229 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 101' ' ' ALA . . . . . 0.766 ' HB3' ' O ' ' D' ' 98' ' ' GLU . . . -51.58 -41.11 60.94 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 113.918 -1.492 . . . . 0.0 111.893 179.456 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 102' ' ' LEU . . . . . 0.747 HD13 HD23 ' C' ' 25' ' ' LEU . 0.4 OUTLIER -123.69 35.94 4.74 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 113.183 0.809 . . . . 0.0 113.183 -177.437 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' D' D ' 103' ' ' THR . . . . . 0.638 HG23 HD12 ' D' ' 102' ' ' LEU . 43.3 p -152.99 -37.66 0.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.602 -0.439 . . . . 0.0 111.931 179.502 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 5.3 t0 73.44 30.41 1.49 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.088 0.471 . . . . 0.0 109.899 -178.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 105' ' ' SER . . . . . 0.401 ' O ' ' CB ' ' D' ' 106' ' ' SER . 2.7 m -61.05 -8.62 3.46 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.829 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 106' ' ' SER . . . . . 0.401 ' CB ' ' O ' ' D' ' 105' ' ' SER . 0.3 OUTLIER 78.36 122.79 0.05 OUTLIER 'General case' 0 C--O 1.232 0.176 0 CA-C-O 120.764 0.316 . . . . 0.0 110.604 -179.625 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' D' D ' 107' ' ' GLU . . . . . 0.573 ' HA ' HD12 ' D' ' 110' ' ' LEU . 5.6 mt-10 -55.16 -22.45 17.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.2 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 9.1 mptt -60.98 -55.24 35.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.992 0.425 . . . . 0.0 110.178 179.563 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 109' ' ' ASP . . . . . 0.766 ' O ' HD12 ' D' ' 113' ' ' LEU . 12.4 m-20 -64.67 -33.36 75.76 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.855 178.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 110' ' ' LEU . . . . . 0.792 ' CD2' HD22 ' D' ' 96' ' ' LEU . 95.8 mt -66.19 -41.53 90.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.328 179.378 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 111' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.77 -42.88 99.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.669 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 112' ' ' PHE . . . . . 0.623 ' O ' HG23 ' D' ' 116' ' ' VAL . 2.0 t80 -62.01 -42.91 99.67 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.759 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 113' ' ' LEU . . . . . 0.766 HD12 ' O ' ' D' ' 109' ' ' ASP . 0.5 OUTLIER -73.0 -38.46 66.61 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.792 -179.87 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' D' D ' 114' ' ' HIS . . . . . 0.734 ' CD2' HD12 ' D' ' 96' ' ' LEU . 35.6 m80 -56.36 -34.62 66.81 Favored 'General case' 0 CA--C 1.519 -0.229 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 178.295 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 115' ' ' SER . . . . . . . . . . . . . 30.6 t -75.35 -38.09 60.29 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 178.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 116' ' ' VAL . . . . . 0.862 ' O ' HD22 ' D' ' 122' ' ' LEU . 42.4 t -57.17 -23.47 18.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.768 178.258 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 117' ' ' PHE . . . . . 0.813 ' CD1' HG13 ' D' ' 89' ' ' VAL . 38.1 m-85 -102.88 -38.81 7.23 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.497 -179.717 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 118' ' ' GLN . . . . . 0.415 ' NE2' ' O ' ' D' ' 114' ' ' HIS . 0.0 OUTLIER -56.34 -29.48 61.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.678 -178.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -44.84 127.5 6.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.708 -179.505 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 120' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -70.41 -50.52 37.66 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.662 179.705 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 121' ' ' HIS . . . . . . . . . . . . . 37.3 m-70 -55.61 -33.27 63.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.354 179.199 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 122' ' ' LEU . . . . . 0.862 HD22 ' O ' ' D' ' 116' ' ' VAL . 21.1 tp -55.32 -50.16 70.31 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.991 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 123' ' ' HIS . . . . . 0.598 ' HA ' ' CD1' ' D' ' 126' ' ' LEU . 30.7 m170 -49.95 -29.22 8.0 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 121.129 0.49 . . . . 0.0 110.143 178.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 124' ' ' THR . . . . . 0.663 HG22 HD11 ' D' ' 128' ' ' LEU . 2.8 m -72.69 -36.67 67.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.772 179.186 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 125' ' ' LEU . . . . . 0.618 HD12 HD12 ' D' ' 122' ' ' LEU . 14.3 mt -63.23 -46.56 86.4 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.089 179.664 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 126' ' ' LEU . . . . . 0.882 ' HB2' ' HB1' ' D' ' 85' ' ' ALA . 1.3 mp -65.48 -41.08 93.69 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.012 -179.773 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 127' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -63.53 -44.95 92.73 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.267 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 128' ' ' LEU . . . . . 0.663 HD11 HG22 ' D' ' 124' ' ' THR . 7.0 mt -72.18 -40.62 67.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.349 -179.564 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 129' ' ' TYR . . . . . 0.511 ' O ' HD23 ' C' ' 48' ' ' LEU . 0.3 OUTLIER -55.64 -51.52 66.94 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.06 -179.33 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' D' D ' 130' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -75.83 -26.63 57.36 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.117 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 131' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.47 -51.69 61.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.763 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 132' ' ' ILE . . . . . 0.655 ' HB ' HD21 ' C' ' 48' ' ' LEU . 2.6 mt -71.44 -36.73 61.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 CA-C-O 121.068 0.461 . . . . 0.0 110.584 179.773 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 133' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 . . . . . 0 N--CA 1.451 -0.392 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.977 -179.775 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 5.4 mtm-85 . . . . . 0 N--CA 1.455 -0.223 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.3 tptm -63.34 -38.92 93.03 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 179.082 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 17.2 mm100 -74.51 -28.37 60.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.072 179.078 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.598 ' HB3' HG22 ' B' ' 116' ' ' VAL . 69.6 m-20 -79.35 -32.45 43.24 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.552 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.651 HG22 ' HE1' ' A' ' 44' ' ' PHE . 0.9 OUTLIER -72.29 -38.46 68.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.342 179.525 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.411 ' HA ' HD23 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -70.77 -45.3 65.01 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.521 179.481 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.441 ' HB3' ' CZ ' ' B' ' 112' ' ' PHE . 0.0 OUTLIER -67.4 -26.12 66.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.006 179.33 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.888 ' CB ' HG11 ' B' ' 116' ' ' VAL . . . -78.75 -54.22 6.31 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.548 178.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.774 HD22 ' HB3' ' A' ' 44' ' ' PHE . 0.3 OUTLIER -64.98 -27.43 68.83 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.548 179.463 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.405 ' CG ' ' O ' ' A' ' 12' ' ' GLN . 13.3 m170 -72.58 -46.92 51.95 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 178.627 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.882 HD22 ' CZ ' ' A' ' 21' ' ' TYR . 1.5 mt -61.16 -37.92 84.61 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.295 178.595 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.937 ' CD2' HG11 ' B' ' 92' ' ' VAL . 36.5 mt -63.06 -43.19 99.28 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 114.859 -1.064 . . . . 0.0 110.681 179.579 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.432 ' CG ' HG21 ' A' ' 41' ' ' ILE . 12.8 mm-40 -60.43 -38.63 84.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.864 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 0.8 OUTLIER -75.12 -37.28 61.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.472 -179.93 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.882 ' CZ ' HD22 ' A' ' 17' ' ' LEU . 17.3 m-85 -67.32 -47.68 69.81 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.404 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.477 ' HG3' ' N ' ' A' ' 23' ' ' SER . 1.5 ptm180 -58.12 -45.09 87.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.307 179.333 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.477 ' N ' ' HG3' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -56.74 -37.28 70.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.467 179.452 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.678 ' HE2' HG22 ' B' ' 103' ' ' THR . 0.0 OUTLIER -104.04 11.47 35.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.568 179.875 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.893 HD12 HD11 ' A' ' 37' ' ' ILE . 0.1 OUTLIER -97.48 -51.15 4.25 Favored 'General case' 0 C--N 1.333 -0.124 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -179.447 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.7 ' HB2' ' HA ' ' A' ' 31' ' ' ARG . 52.9 p -68.42 -31.13 70.24 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -178.231 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.403 ' OE1' ' OG ' ' A' ' 26' ' ' SER . 0.7 OUTLIER -68.52 57.04 0.08 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.882 0.372 . . . . 0.0 111.422 -178.754 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.679 HG23 ' H ' ' A' ' 29' ' ' GLU . 8.6 t -176.57 -61.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.668 179.536 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.679 ' H ' HG23 ' A' ' 28' ' ' THR . 16.4 pt-20 -176.56 28.64 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.814 -179.338 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.416 ' HB2' HD22 ' A' ' 25' ' ' LEU . 13.8 m-20 -137.8 46.08 2.11 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.011 0.434 . . . . 0.0 110.58 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.7 ' HA ' ' HB2' ' A' ' 26' ' ' SER . 0.0 OUTLIER -63.05 -55.24 27.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.181 -179.52 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 44.7 tp60 -53.05 -44.73 67.67 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.407 0.622 . . . . 0.0 109.562 178.688 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.813 HD21 ' HB3' ' B' ' 95' ' ' SER . 7.7 tp -57.1 -34.66 68.55 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.122 178.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.687 ' HB2' ' HB3' ' A' ' 26' ' ' SER . 2.0 ttt180 -60.36 -43.5 96.45 Favored 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 178.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 28.9 m -55.61 -40.59 72.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.285 -0.871 . . . . 0.0 109.737 178.672 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.498 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.7 OUTLIER -64.09 -51.3 64.67 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.378 179.144 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.893 HD11 HD12 ' A' ' 25' ' ' LEU . 34.6 mt -58.32 -37.65 64.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.187 0.517 . . . . 0.0 109.657 178.838 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.75 -52.63 63.46 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.546 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.643 ' HG3' ' HB1' ' B' ' 88' ' ' ALA . 4.2 ptp85 -55.63 -34.59 65.06 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.627 -0.429 . . . . 0.0 109.867 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.71 HG12 ' CD2' ' A' ' 44' ' ' PHE . 59.0 t -67.21 -33.12 60.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 109.603 -0.518 . . . . 0.0 109.603 178.091 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.654 HD11 ' HB3' ' A' ' 18' ' ' LEU . 14.7 mm -65.82 -61.04 1.88 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.15 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.403 179.436 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.9 t -56.48 -47.04 80.07 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-O 120.964 0.411 . . . . 0.0 110.624 -179.408 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.429 ' O ' ' CG ' ' A' ' 49' ' ' PHE . 15.5 mt -60.0 -33.47 53.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.89 179.137 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.774 ' HB3' HD22 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -72.11 -59.23 2.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.567 179.622 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -77.32 -3.0 37.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.867 -179.031 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.467 ' CB ' ' CE1' ' B' ' 129' ' ' TYR . 0.6 OUTLIER -47.33 137.74 8.06 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.813 0.34 . . . . 0.0 111.364 -179.755 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -58.66 -34.74 71.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.941 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.757 ' O ' HD12 ' A' ' 48' ' ' LEU . 1.9 tp -79.02 -45.83 19.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.834 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.735 ' HE1' HD11 ' A' ' 53' ' ' ILE . 19.5 t80 -51.44 -50.79 59.05 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.828 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -60.25 -34.45 73.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.069 179.384 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.493 ' HB3' ' O ' ' A' ' 48' ' ' LEU . . . -58.99 -45.68 90.02 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.3 179.312 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.517 HD13 ' O ' ' B' ' 125' ' ' LEU . 1.0 OUTLIER -60.82 -44.06 97.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.269 179.305 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.735 HD11 ' HE1' ' A' ' 49' ' ' PHE . 42.5 mt -54.38 -38.86 41.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.621 179.42 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -69.81 -35.62 74.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.472 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.73 HG22 ' HB2' ' A' ' 59' ' ' TYR . 60.5 mt -59.24 -38.81 76.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.687 179.617 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -53.26 -23.49 9.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.679 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.408 ' O ' ' CD1' ' A' ' 58' ' ' PHE . 14.8 mm-40 -48.87 -33.33 10.45 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.629 -0.259 . . . . 0.0 111.537 -179.49 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.408 ' CD1' ' O ' ' A' ' 57' ' ' GLU . 11.6 m-85 -154.88 29.86 0.41 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.791 0.329 . . . . 0.0 111.793 -179.737 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.783 ' CE2' HD21 ' D' ' 128' ' ' LEU . 66.5 m-85 -137.5 121.72 18.04 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.433 179.392 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.422 ' HB2' ' HB ' ' C' ' 62' ' ' THR . 0.4 OUTLIER -104.4 94.48 5.36 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.899 -179.909 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.408 ' CG2' HG21 ' B' ' 124' ' ' THR . 0.0 OUTLIER -72.75 97.99 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.972 0.415 . . . . 0.0 110.879 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.409 ' HB ' ' HB2' ' C' ' 60' ' ' GLU . 3.0 m -86.37 113.15 22.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.785 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.427 HD11 ' OH ' ' C' ' 59' ' ' TYR . 0.2 OUTLIER -87.55 125.0 34.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.665 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.66 HD23 ' N ' ' A' ' 64' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.239 -179.724 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 82' ' ' LEU . . . . . 0.822 HD23 ' N ' ' B' ' 82' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 83' ' ' LEU . . . . . 1.018 HD23 ' H ' ' B' ' 84' ' ' ALA . 0.2 OUTLIER -63.03 -51.92 64.88 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.561 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 1.018 ' H ' HD23 ' B' ' 83' ' ' LEU . . . -77.73 -20.92 52.68 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.538 -0.756 . . . . 0.0 111.497 -179.337 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 85' ' ' ALA . . . . . 0.869 ' HB1' ' HB2' ' B' ' 126' ' ' LEU . . . -52.07 -24.34 6.67 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.283 0.563 . . . . 0.0 109.865 179.255 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -127.11 -38.18 2.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.867 178.514 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 87' ' ' ARG . . . . . 0.76 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 29.8 ttt85 -66.9 -37.76 84.99 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.633 179.394 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 88' ' ' ALA . . . . . 0.915 ' HB2' ' HB1' ' B' ' 84' ' ' ALA . . . -72.2 -46.11 57.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.716 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 89' ' ' VAL . . . . . 0.599 HG12 ' HB3' ' B' ' 117' ' ' PHE . 26.2 t -69.75 -37.66 74.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.241 179.132 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 90' ' ' SER . . . . . 0.426 ' HA ' ' HB2' ' B' ' 93' ' ' LEU . 73.3 m -73.5 -23.75 60.09 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.421 179.182 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 91' ' ' GLN . . . . . 0.433 ' NE2' ' HG2' ' B' ' 87' ' ' ARG . 5.3 mt-30 -68.71 -54.72 14.45 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-O 121.208 0.528 . . . . 0.0 109.637 179.302 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 92' ' ' VAL . . . . . 0.937 HG11 ' CD2' ' A' ' 18' ' ' LEU . 4.7 t -68.65 -28.03 38.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.318 -0.856 . . . . 0.0 109.977 179.141 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 93' ' ' LEU . . . . . 0.703 HD21 ' HA ' ' B' ' 114' ' ' HIS . 2.9 mt -66.34 -35.79 81.26 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.893 179.504 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -85.87 -33.03 21.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.881 0.372 . . . . 0.0 111.079 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 95' ' ' SER . . . . . 0.813 ' HB3' HD21 ' A' ' 33' ' ' LEU . 3.2 m -80.04 -21.6 43.31 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.045 -0.525 . . . . 0.0 112.015 -179.582 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 96' ' ' LEU . . . . . 0.82 HD22 ' CD2' ' B' ' 110' ' ' LEU . 0.2 OUTLIER -41.29 -48.42 3.6 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.028 0.442 . . . . 0.0 111.99 -179.462 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -64.49 -33.55 76.15 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.981 -179.431 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 98' ' ' GLU . . . . . 0.81 ' OE2' HD21 ' B' ' 102' ' ' LEU . 0.0 OUTLIER -70.0 -40.14 75.46 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 178.386 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 99' ' ' ILE . . . . . 0.632 HG23 HG21 ' B' ' 103' ' ' THR . 40.3 mt -54.78 -49.55 68.14 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.701 0 CA-C-N 114.772 -1.104 . . . . 0.0 109.939 178.367 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 100' ' ' HIS . . . . . 0.898 ' HB2' HD11 ' B' ' 110' ' ' LEU . 0.8 OUTLIER -54.86 -40.95 70.21 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-O 121.982 0.896 . . . . 0.0 108.736 178.426 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 101' ' ' ALA . . . . . 0.781 ' HB3' ' O ' ' B' ' 98' ' ' GLU . . . -53.49 -39.32 64.46 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 113.81 -1.541 . . . . 0.0 112.105 179.615 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 102' ' ' LEU . . . . . 0.81 HD21 ' OE2' ' B' ' 98' ' ' GLU . 0.4 OUTLIER -126.0 27.6 6.29 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -177.14 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 103' ' ' THR . . . . . 0.692 HG23 HD12 ' B' ' 102' ' ' LEU . 43.0 p -143.71 -26.59 0.55 Allowed 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 179.524 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 20.5 t0 66.71 25.93 9.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.071 0.462 . . . . 0.0 110.252 -179.305 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 105' ' ' SER . . . . . 0.477 ' HB3' ' CE1' ' A' ' 21' ' ' TYR . 53.0 p -56.12 -22.06 26.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.386 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 106' ' ' SER . . . . . 0.442 ' CB ' ' O ' ' B' ' 105' ' ' SER . 2.2 t 84.05 130.31 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.428 -179.343 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 107' ' ' GLU . . . . . 0.645 ' HA ' HD12 ' B' ' 110' ' ' LEU . 3.3 tt0 -58.81 -19.19 38.94 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.43 -179.492 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -65.8 -55.51 16.78 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.965 0.412 . . . . 0.0 110.22 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 109' ' ' ASP . . . . . 0.699 ' O ' HD12 ' B' ' 113' ' ' LEU . 8.2 m-20 -62.93 -35.99 81.92 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.371 -0.604 . . . . 0.0 109.371 178.797 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 110' ' ' LEU . . . . . 0.898 HD11 ' HB2' ' B' ' 100' ' ' HIS . 93.6 mt -62.29 -50.45 71.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.029 179.191 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -53.8 -40.83 66.66 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.843 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 112' ' ' PHE . . . . . 0.789 ' O ' HG23 ' B' ' 116' ' ' VAL . 1.7 t80 -64.59 -37.43 87.55 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.844 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 113' ' ' LEU . . . . . 0.699 HD12 ' O ' ' B' ' 109' ' ' ASP . 0.5 OUTLIER -79.07 -33.05 44.95 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.744 -0.382 . . . . 0.0 111.222 -179.78 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 114' ' ' HIS . . . . . 0.703 ' HA ' HD21 ' B' ' 93' ' ' LEU . 52.8 m80 -62.42 -34.19 76.28 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 177.866 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 115' ' ' SER . . . . . 0.422 ' HA ' ' HB2' ' B' ' 118' ' ' GLN . 0.7 OUTLIER -74.6 -40.3 61.66 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.134 178.646 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 116' ' ' VAL . . . . . 0.888 HG11 ' CB ' ' A' ' 14' ' ' ALA . 50.9 t -60.37 -23.33 27.68 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.907 178.424 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 117' ' ' PHE . . . . . 0.691 ' CZ ' HD11 ' A' ' 18' ' ' LEU . 7.5 m-30 -105.59 -20.87 13.33 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.534 -179.687 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 118' ' ' GLN . . . . . 0.57 HE22 ' HB3' ' B' ' 114' ' ' HIS . 0.0 OUTLIER -72.97 -30.69 64.02 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.742 0.306 . . . . 0.0 111.276 -179.655 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -42.93 130.16 4.33 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.794 -179.41 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -71.15 -48.69 50.43 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.671 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -55.87 -33.85 64.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.37 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 122' ' ' LEU . . . . . 0.823 HD22 ' O ' ' B' ' 116' ' ' VAL . 39.9 tp -55.67 -49.25 73.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 109.916 179.566 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 123' ' ' HIS . . . . . 0.808 ' HA ' HD12 ' B' ' 126' ' ' LEU . 23.4 m170 -52.11 -27.41 14.04 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.184 179.04 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 124' ' ' THR . . . . . 0.434 HG22 HD11 ' B' ' 128' ' ' LEU . 7.2 m -77.02 -32.67 57.25 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.019 179.291 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 125' ' ' LEU . . . . . 0.771 HD12 HD12 ' B' ' 122' ' ' LEU . 20.5 mt -65.86 -41.34 91.78 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.991 179.724 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 126' ' ' LEU . . . . . 0.869 ' HB2' ' HB1' ' B' ' 85' ' ' ALA . 0.4 OUTLIER -73.05 -45.14 59.18 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.265 -179.705 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.03 -46.55 82.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.932 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 128' ' ' LEU . . . . . 0.881 HD21 ' CD2' ' C' ' 59' ' ' TYR . 21.9 mt -70.83 -43.61 68.19 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.152 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 129' ' ' TYR . . . . . 0.467 ' CE1' ' CB ' ' A' ' 46' ' ' SER . 0.2 OUTLIER -55.72 -51.63 66.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.125 -179.518 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 130' ' ' ASP . . . . . 0.601 ' HB3' HD23 ' B' ' 82' ' ' LEU . 25.2 m-20 -76.11 -21.77 56.28 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.268 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 131' ' ' LYS . . . . . 0.503 ' HG2' HD13 ' B' ' 82' ' ' LEU . 8.0 mmtt -70.51 -46.07 64.4 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.803 0.335 . . . . 0.0 110.859 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 132' ' ' ILE . . . . . 0.565 HD12 ' O ' ' B' ' 128' ' ' LEU . 2.7 mt -74.97 -37.94 42.25 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 CA-C-O 120.99 0.424 . . . . 0.0 110.94 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 133' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -63.77 -28.68 70.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.052 -179.611 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 134' ' ' THR . . . . . 0.556 HG22 ' O ' ' B' ' 134' ' ' THR . 62.4 m -86.06 5.57 32.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.593 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.4 -40.89 4.77 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.967 0.413 . . . . 0.0 110.923 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.904 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 7' ' ' ARG . . . . . 0.46 ' HG3' HG23 ' C' ' 11' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 110.364 -0.236 . . . . 0.0 110.364 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 4.3 mmpt? -65.66 -32.6 74.26 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 121.047 0.451 . . . . 0.0 109.934 179.202 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 51.8 mm-40 -78.22 -30.81 49.03 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.746 178.634 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 10' ' ' ASP . . . . . 0.753 ' HB3' HG22 ' D' ' 116' ' ' VAL . 2.9 m-20 -81.29 -29.9 34.15 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.612 179.74 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 11' ' ' THR . . . . . 0.649 HG22 ' HE1' ' C' ' 44' ' ' PHE . 5.9 p -76.82 -37.23 56.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.248 179.674 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 12' ' ' GLN . . . . . 0.424 ' O ' ' CG ' ' C' ' 16' ' ' HIS . 0.1 OUTLIER -73.09 -41.92 63.56 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.189 179.399 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 16.0 ttt180 -72.21 -24.95 61.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.937 178.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 14' ' ' ALA . . . . . 0.821 ' CB ' HG11 ' D' ' 116' ' ' VAL . . . -78.65 -53.73 6.85 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.7 178.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 15' ' ' LEU . . . . . 0.795 HD22 ' HB3' ' C' ' 44' ' ' PHE . 0.4 OUTLIER -66.72 -24.64 66.26 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.654 179.551 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 16' ' ' HIS . . . . . 0.424 ' CG ' ' O ' ' C' ' 12' ' ' GLN . 15.2 m170 -73.33 -46.87 46.84 Favored 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 178.48 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 17' ' ' LEU . . . . . 0.953 HD22 ' CE1' ' C' ' 21' ' ' TYR . 1.4 mt -62.14 -37.58 85.69 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.176 178.45 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 18' ' ' LEU . . . . . 0.735 ' CB ' HD11 ' C' ' 41' ' ' ILE . 43.0 mt -61.38 -40.65 95.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.831 -1.077 . . . . 0.0 110.567 179.537 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -62.3 -47.74 82.96 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.635 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -70.67 -31.17 67.98 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.878 179.322 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 21' ' ' TYR . . . . . 0.953 ' CE1' HD22 ' C' ' 17' ' ' LEU . 5.8 m-30 -67.76 -46.74 71.2 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.5 179.595 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 22' ' ' ARG . . . . . 0.421 ' HG3' ' N ' ' C' ' 23' ' ' SER . 0.2 OUTLIER -62.21 -38.97 91.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.877 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 23' ' ' SER . . . . . 0.421 ' N ' ' HG3' ' C' ' 22' ' ' ARG . 0.3 OUTLIER -63.82 -38.55 91.53 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.781 179.932 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 24' ' ' LYS . . . . . . . . . . . . . 6.2 ptmt -90.39 -18.79 24.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.445 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 25' ' ' LEU . . . . . 0.911 HD12 HD11 ' C' ' 37' ' ' ILE . 0.2 OUTLIER -73.0 -65.26 0.82 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.087 0.47 . . . . 0.0 110.834 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 26' ' ' SER . . . . . 0.508 ' HB3' ' HB2' ' C' ' 34' ' ' ARG . 4.0 p -60.85 -149.44 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.055 -179.665 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 27' ' ' GLN . . . . . 0.413 ' OE1' ' NH1' ' C' ' 31' ' ' ARG . 0.0 OUTLIER 47.7 27.86 1.15 Allowed 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.552 -0.294 . . . . 0.0 111.152 179.846 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 28' ' ' THR . . . . . 0.53 HG23 ' N ' ' C' ' 29' ' ' GLU . 6.4 t -150.8 -55.86 0.16 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.656 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 29' ' ' GLU . . . . . 0.53 ' N ' HG23 ' C' ' 28' ' ' THR . 13.2 pt-20 -177.59 26.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.648 -179.61 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -145.78 54.24 1.17 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.13 0.49 . . . . 0.0 110.854 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 31' ' ' ARG . . . . . 0.413 ' NH1' ' OE1' ' C' ' 27' ' ' GLN . 11.7 mmm180 -64.56 -46.47 82.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.135 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -58.34 -49.06 78.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.948 179.059 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 33' ' ' LEU . . . . . 0.78 HD21 ' HB3' ' D' ' 95' ' ' SER . 13.4 tp -54.01 -35.87 62.37 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.138 179.102 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 34' ' ' ARG . . . . . 0.508 ' HB2' ' HB3' ' C' ' 26' ' ' SER . 5.0 ttp180 -60.5 -42.29 96.05 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.284 178.774 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 29.7 t -60.83 -33.48 73.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.238 179.046 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 36' ' ' SER . . . . . 0.581 ' O ' HG23 ' C' ' 40' ' ' VAL . 67.5 m -68.27 -51.51 44.19 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 121.197 0.523 . . . . 0.0 110.329 179.439 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 37' ' ' ILE . . . . . 0.911 HD11 HD12 ' C' ' 25' ' ' LEU . 36.5 mt -58.81 -40.16 79.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.826 -0.624 . . . . 0.0 109.713 179.003 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.03 -52.06 65.48 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.982 -1.008 . . . . 0.0 112.031 -179.7 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 39' ' ' ARG . . . . . 0.9 ' NH1' HE22 ' D' ' 91' ' ' GLN . 6.5 ptp180 -57.25 -33.76 67.92 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.483 -0.487 . . . . 0.0 110.263 -179.627 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 40' ' ' VAL . . . . . 0.762 HG12 ' CD2' ' C' ' 44' ' ' PHE . 64.6 t -67.24 -34.95 72.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 178.282 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 41' ' ' ILE . . . . . 0.735 HD11 ' CB ' ' C' ' 18' ' ' LEU . 20.1 mm -61.37 -58.9 5.46 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.108 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.289 179.474 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 11.5 t -56.17 -47.89 77.42 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-O 120.978 0.418 . . . . 0.0 110.684 -179.435 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 43' ' ' ILE . . . . . 0.407 ' O ' ' CG ' ' C' ' 49' ' ' PHE . 21.4 mt -59.7 -32.65 49.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.84 178.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 44' ' ' PHE . . . . . 0.795 ' HB3' HD22 ' C' ' 15' ' ' LEU . 0.4 OUTLIER -72.46 -59.52 2.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.947 179.813 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 45' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -79.45 0.2 30.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.995 -178.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 46' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.06 168.66 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.823 0.345 . . . . 0.0 111.21 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -79.56 -47.92 14.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.177 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 48' ' ' LEU . . . . . 0.851 HD12 ' HA ' ' D' ' 129' ' ' TYR . 0.4 OUTLIER -66.91 -42.66 85.04 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.536 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 49' ' ' PHE . . . . . 0.501 ' CE2' HD11 ' C' ' 53' ' ' ILE . 8.9 t80 -50.81 -56.16 13.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.352 -179.442 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -54.19 -39.8 66.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.826 0.346 . . . . 0.0 110.718 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 51' ' ' ALA . . . . . 0.544 ' HB1' HG23 ' B' ' 132' ' ' ILE . . . -59.45 -47.33 85.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.886 179.7 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 52' ' ' LEU . . . . . 0.7 HD12 HD12 ' C' ' 48' ' ' LEU . 0.6 OUTLIER -62.6 -47.91 81.73 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.556 179.699 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 53' ' ' ILE . . . . . 0.76 HG12 HD13 ' D' ' 125' ' ' LEU . 18.8 mt -54.51 -31.27 22.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.448 179.605 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.86 -41.23 68.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.217 179.299 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 55' ' ' ILE . . . . . 0.76 HG22 ' HB2' ' C' ' 59' ' ' TYR . 63.7 mt -61.39 -35.2 64.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.629 179.479 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.62 -21.61 4.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.533 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 57' ' ' GLU . . . . . 0.407 ' O ' ' CD2' ' C' ' 58' ' ' PHE . 12.7 pt-20 -43.89 -41.16 5.01 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-O 120.799 0.333 . . . . 0.0 111.531 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 58' ' ' PHE . . . . . 0.407 ' CD2' ' O ' ' C' ' 57' ' ' GLU . 89.2 m-85 -157.51 39.2 0.29 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.429 -179.76 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 59' ' ' TYR . . . . . 0.881 ' CD2' HD21 ' B' ' 128' ' ' LEU . 55.2 m-85 -136.84 81.91 1.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.572 179.533 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 60' ' ' GLU . . . . . 0.409 ' HB2' ' HB ' ' A' ' 62' ' ' THR . 0.0 OUTLIER -69.54 90.28 0.54 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.202 -179.677 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 61' ' ' VAL . . . . . 0.549 HG23 HG21 ' D' ' 124' ' ' THR . 0.0 OUTLIER -73.0 102.56 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.979 0.419 . . . . 0.0 110.596 179.458 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 62' ' ' THR . . . . . 0.422 ' HB ' ' HB2' ' A' ' 60' ' ' GLU . 1.2 m -90.8 115.01 27.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.167 -179.518 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 63' ' ' LEU . . . . . 0.549 HD12 ' CE2' ' A' ' 59' ' ' TYR . 0.5 OUTLIER -83.16 139.79 32.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.144 179.121 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 64' ' ' LEU . . . . . 0.745 ' N ' HD23 ' C' ' 64' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.259 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 -179.285 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 82' ' ' LEU . . . . . 0.54 HD12 ' HB3' ' D' ' 130' ' ' ASP . 4.9 mp . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.787 0.327 . . . . 0.0 110.704 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 83' ' ' LEU . . . . . 0.87 HD23 ' H ' ' D' ' 84' ' ' ALA . 0.3 OUTLIER -76.0 -41.5 51.0 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.271 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 84' ' ' ALA . . . . . 0.967 ' HB1' ' HB2' ' D' ' 88' ' ' ALA . . . -96.5 -16.34 21.18 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.743 -178.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 85' ' ' ALA . . . . . 0.868 ' HB1' ' CB ' ' D' ' 126' ' ' LEU . . . -51.08 -28.14 9.81 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.104 0.478 . . . . 0.0 110.104 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 86' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -121.62 -40.35 2.56 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.573 178.593 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 87' ' ' ARG . . . . . 0.796 ' HB3' ' O ' ' D' ' 83' ' ' LEU . 32.1 ttt180 -59.55 -54.36 47.43 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.129 178.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 88' ' ' ALA . . . . . 0.967 ' HB2' ' HB1' ' D' ' 84' ' ' ALA . . . -56.92 -44.49 82.48 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.749 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 89' ' ' VAL . . . . . 0.528 HG12 ' HB3' ' D' ' 117' ' ' PHE . 41.4 t -68.79 -33.26 58.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.796 178.654 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 90' ' ' SER . . . . . 0.447 ' HA ' ' HB2' ' D' ' 93' ' ' LEU . 19.2 t -76.19 -26.17 55.91 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.644 179.343 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 91' ' ' GLN . . . . . 0.9 HE22 ' NH1' ' C' ' 39' ' ' ARG . 93.3 mt-30 -66.37 -56.99 8.43 Favored 'General case' 0 CA--C 1.515 -0.383 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.241 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 92' ' ' VAL . . . . . 0.732 HG11 ' CD2' ' C' ' 18' ' ' LEU . 4.5 t -65.18 -28.05 43.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.044 179.106 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 93' ' ' LEU . . . . . 0.703 HD21 ' HA ' ' D' ' 114' ' ' HIS . 4.1 mt -68.81 -31.84 71.12 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.399 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.51 -43.55 13.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.887 0.375 . . . . 0.0 111.051 -179.414 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 95' ' ' SER . . . . . 0.78 ' HB3' HD21 ' C' ' 33' ' ' LEU . 0.5 OUTLIER -79.47 -12.34 59.88 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.778 -179.662 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 96' ' ' LEU . . . . . 0.738 HD13 ' HB3' ' D' ' 110' ' ' LEU . 0.1 OUTLIER -38.33 -51.83 1.52 Allowed 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.977 0.418 . . . . 0.0 112.05 -179.636 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -69.76 -29.82 67.25 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.174 -179.241 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 98' ' ' GLU . . . . . 0.825 ' O ' ' HB3' ' D' ' 101' ' ' ALA . 0.1 OUTLIER -69.72 -34.14 73.47 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 177.927 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 99' ' ' ILE . . . . . 0.511 ' O ' ' OG1' ' D' ' 103' ' ' THR . 42.1 mt -61.9 -49.91 82.28 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.888 0 CA-C-N 114.464 -1.244 . . . . 0.0 109.888 178.61 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 100' ' ' HIS . . . . . 0.899 ' HB2' HD11 ' D' ' 110' ' ' LEU . 0.1 OUTLIER -56.24 -34.72 66.62 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 178.138 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 101' ' ' ALA . . . . . 0.825 ' HB3' ' O ' ' D' ' 98' ' ' GLU . . . -54.74 -44.3 73.44 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 114.585 -1.188 . . . . 0.0 111.359 179.138 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 102' ' ' LEU . . . . . 0.754 HD21 ' OE2' ' D' ' 98' ' ' GLU . 0.4 OUTLIER -118.38 25.07 10.54 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.801 -177.7 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 103' ' ' THR . . . . . 0.663 HG23 HD12 ' D' ' 102' ' ' LEU . 53.5 p -144.75 -3.49 0.79 Allowed 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 2.1 t70 57.57 20.18 5.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.911 0.386 . . . . 0.0 110.847 -179.263 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 105' ' ' SER . . . . . 0.473 ' HB2' ' CZ ' ' C' ' 21' ' ' TYR . 11.4 p -80.35 72.93 7.23 Favored 'General case' 0 CA--C 1.512 -0.494 0 CA-C-O 121.68 0.752 . . . . 0.0 109.979 179.228 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 106' ' ' SER . . . . . 0.431 ' C ' ' O ' ' D' ' 105' ' ' SER . 11.3 t -20.45 134.77 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 113.761 -1.563 . . . . 0.0 112.67 -179.416 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 107' ' ' GLU . . . . . 0.496 ' HA ' HD12 ' D' ' 110' ' ' LEU . 39.9 tt0 -50.78 -25.51 4.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.914 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.12 -55.0 36.08 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 121.13 0.49 . . . . 0.0 110.034 179.418 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 109' ' ' ASP . . . . . 0.574 ' O ' HD12 ' D' ' 113' ' ' LEU . 54.4 m-20 -63.26 -41.29 99.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.645 178.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 110' ' ' LEU . . . . . 0.899 HD11 ' HB2' ' D' ' 100' ' ' HIS . 91.7 mt -60.53 -32.97 71.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.189 179.033 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 111' ' ' ASP . . . . . 0.555 ' HA ' ' CD2' ' D' ' 114' ' ' HIS . 9.7 t0 -66.43 -47.14 74.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.811 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 112' ' ' PHE . . . . . 0.456 ' O ' HG23 ' D' ' 116' ' ' VAL . 1.1 t80 -58.79 -38.33 78.31 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.528 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 113' ' ' LEU . . . . . 0.698 HD11 ' CD1' ' C' ' 17' ' ' LEU . 0.5 OUTLIER -76.51 -29.07 56.63 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.041 -179.773 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 114' ' ' HIS . . . . . 0.703 ' HA ' HD21 ' D' ' 93' ' ' LEU . 0.0 OUTLIER -64.45 -34.4 78.1 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.498 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 115' ' ' SER . . . . . . . . . . . . . 7.7 t -74.95 -37.65 61.91 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 178.447 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 116' ' ' VAL . . . . . 0.839 ' O ' HD22 ' D' ' 122' ' ' LEU . 27.2 t -62.79 -23.64 33.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.764 178.292 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 117' ' ' PHE . . . . . 0.635 ' CZ ' HD11 ' C' ' 18' ' ' LEU . 11.7 m-30 -103.55 -24.54 13.41 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.398 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 118' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.59 -29.97 65.3 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.819 0.342 . . . . 0.0 111.336 -179.638 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -44.21 119.82 1.94 Allowed 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.593 -179.531 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 120' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.05 -45.25 93.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.682 179.697 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 121' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -56.47 -34.28 66.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.701 179.633 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 122' ' ' LEU . . . . . 0.839 HD22 ' O ' ' D' ' 116' ' ' VAL . 55.4 tp -55.76 -49.12 73.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.398 179.736 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 123' ' ' HIS . . . . . 0.958 ' HA ' HD12 ' D' ' 126' ' ' LEU . 0.0 OUTLIER -52.54 -26.57 13.55 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.13 0.49 . . . . 0.0 109.916 179.007 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 124' ' ' THR . . . . . 0.624 HG22 HD11 ' D' ' 128' ' ' LEU . 3.2 m -77.44 -34.4 54.53 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.978 179.181 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 125' ' ' LEU . . . . . 0.76 HD13 HG12 ' C' ' 53' ' ' ILE . 13.9 mt -67.46 -37.34 82.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.661 179.688 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 126' ' ' LEU . . . . . 0.958 HD12 ' HA ' ' D' ' 123' ' ' HIS . 0.4 OUTLIER -73.03 -46.71 50.34 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.109 -179.853 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 127' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -57.44 -53.11 61.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.018 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 128' ' ' LEU . . . . . 0.783 HD21 ' CE2' ' A' ' 59' ' ' TYR . 7.3 mt -68.86 -29.14 67.39 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.501 179.607 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 129' ' ' TYR . . . . . 0.851 ' HA ' HD12 ' C' ' 48' ' ' LEU . 1.1 t80 -55.3 -53.1 60.38 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.42 -179.168 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 130' ' ' ASP . . . . . 0.54 ' HB3' HD12 ' D' ' 82' ' ' LEU . 3.5 t70 -77.73 -32.24 52.69 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.209 179.635 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 131' ' ' LYS . . . . . 0.407 ' HB2' ' HA ' ' D' ' 128' ' ' LEU . 9.6 mmtp -54.54 -52.95 60.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.27 -179.527 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 132' ' ' ILE . . . . . 0.444 ' HB ' HD21 ' C' ' 48' ' ' LEU . 4.0 mt -77.6 -38.36 25.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.903 0.382 . . . . 0.0 110.85 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 133' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.277 -179.7 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.6 mtm-85 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.14 -38.31 90.6 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 121.079 0.466 . . . . 0.0 109.749 179.157 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -77.52 -29.59 52.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.079 179.124 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.784 ' HB3' HG22 ' B' ' 116' ' ' VAL . 1.1 m-20 -78.77 -29.43 45.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.989 179.373 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.636 HG23 ' CE2' ' A' ' 44' ' ' PHE . 52.3 m -73.16 -49.23 29.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.408 179.673 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.573 ' HA ' HD23 ' A' ' 15' ' ' LEU . 0.8 OUTLIER -69.72 -33.51 72.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.89 0.376 . . . . 0.0 110.143 179.544 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.94 -24.22 55.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.957 178.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.821 ' CB ' HG11 ' B' ' 116' ' ' VAL . . . -78.43 -54.9 5.68 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.554 178.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.851 HD22 ' HB3' ' A' ' 44' ' ' PHE . 0.3 OUTLIER -62.95 -26.37 68.79 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.749 179.352 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 9.3 m170 -73.33 -44.94 57.93 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 178.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.827 HD22 ' CZ ' ' A' ' 21' ' ' TYR . 2.8 mt -62.59 -38.45 90.18 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.738 178.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.637 ' HB3' HG23 ' A' ' 37' ' ' ILE . 12.5 mt -63.58 -40.27 96.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.627 179.532 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -60.61 -44.66 96.05 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.15 0.5 . . . . 0.0 110.635 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -69.11 -29.49 67.57 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.801 179.35 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.827 ' CZ ' HD22 ' A' ' 17' ' ' LEU . 21.6 m-30 -72.04 -48.6 43.24 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.595 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.6 ptt85 -55.58 -39.46 70.73 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.855 0.359 . . . . 0.0 110.178 179.33 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.64 -46.34 90.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.576 179.221 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.714 ' O ' HG22 ' B' ' 103' ' ' THR . 10.3 ptmt -98.92 16.19 23.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.91 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.914 HD12 HD11 ' A' ' 37' ' ' ILE . 0.0 OUTLIER -111.3 -66.26 1.1 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.736 0.303 . . . . 0.0 111.334 -179.385 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.519 ' HB2' ' HB2' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -63.88 -14.92 57.3 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.156 -0.474 . . . . 0.0 112.226 -178.735 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.425 ' OE1' ' NH1' ' A' ' 31' ' ' ARG . 0.2 OUTLIER -76.14 57.28 1.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.858 0.361 . . . . 0.0 110.918 -179.735 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.617 HG22 ' O ' ' A' ' 25' ' ' LEU . 9.0 t -176.38 -58.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.835 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.616 ' N ' HG23 ' A' ' 28' ' ' THR . 12.0 pt-20 -170.76 28.78 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.07 -0.513 . . . . 0.0 112.202 -178.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.415 ' CB ' HD22 ' A' ' 25' ' ' LEU . 0.5 OUTLIER -137.45 43.76 2.29 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.853 0.359 . . . . 0.0 111.459 -179.878 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.459 ' HA ' ' HB2' ' A' ' 26' ' ' SER . 18.0 mmm180 -55.54 -49.41 72.74 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-O 121.179 0.514 . . . . 0.0 110.311 179.49 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -56.0 -46.65 78.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.841 179.076 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.716 HD21 ' HB2' ' B' ' 95' ' ' SER . 4.1 tp -54.65 -32.15 58.62 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.852 178.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.519 ' HB2' ' HB2' ' A' ' 26' ' ' SER . 0.2 OUTLIER -60.66 -48.11 83.24 Favored 'General case' 0 CA--C 1.513 -0.451 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 178.529 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.34 -36.37 63.74 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.867 179.032 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.474 ' O ' ' HB2' ' A' ' 39' ' ' ARG . 1.4 m -67.31 -51.24 54.93 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.234 0.54 . . . . 0.0 109.901 178.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.914 HD11 HD12 ' A' ' 25' ' ' LEU . 56.6 mt -56.09 -40.97 67.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.938 -0.573 . . . . 0.0 109.621 178.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -59.11 -39.99 83.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.507 179.404 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.477 ' HB3' ' CB ' ' B' ' 88' ' ' ALA . 6.9 mtt180 -55.56 -53.56 54.91 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 121.322 0.582 . . . . 0.0 109.871 179.181 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.475 ' O ' ' CD1' ' A' ' 44' ' ' PHE . 42.1 t -59.89 -32.36 49.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.895 -179.765 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.756 HG22 ' OE1' ' A' ' 45' ' ' GLN . 4.3 mm -71.02 -49.88 46.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 C-N-CA 120.897 -0.321 . . . . 0.0 111.135 179.563 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.6 p -65.35 -48.26 73.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.839 0.352 . . . . 0.0 110.953 -179.269 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.834 HG23 ' CE2' ' B' ' 129' ' ' TYR . 5.4 mt -59.89 -34.55 56.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.335 179.445 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.851 ' HB3' HD22 ' A' ' 15' ' ' LEU . 3.9 m-85 -72.23 -54.04 10.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.676 178.818 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.756 ' OE1' HG22 ' A' ' 41' ' ' ILE . 71.2 mt-30 -56.55 -46.22 80.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.773 -179.292 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.477 ' CB ' ' CE1' ' B' ' 129' ' ' TYR . 0.1 OUTLIER -27.91 113.71 0.07 Allowed 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.856 -179.317 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -47.84 -27.28 2.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.932 -179.319 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.688 ' O ' HD12 ' A' ' 48' ' ' LEU . 1.8 tp -72.12 -48.25 45.1 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 120.678 -0.409 . . . . 0.0 109.907 179.603 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.497 ' CE1' HD23 ' B' ' 126' ' ' LEU . 52.6 t80 -52.02 -40.26 60.78 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.98 179.158 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.41 ' OE1' ' N ' ' A' ' 50' ' ' GLN . 4.7 mp0 -63.85 -41.06 97.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.033 178.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.68 -48.04 82.45 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.797 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.504 HD21 ' HB3' ' B' ' 128' ' ' LEU . 0.8 OUTLIER -57.55 -45.21 85.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.949 0.404 . . . . 0.0 110.36 179.528 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.766 HG12 HD13 ' B' ' 125' ' ' LEU . 77.1 mt -55.35 -38.05 46.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.396 179.227 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -73.95 -38.0 64.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.709 179.23 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.663 HG22 ' HB2' ' A' ' 59' ' ' TYR . 64.7 mt -62.07 -46.15 97.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.214 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -51.1 -22.32 2.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.627 -179.571 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -46.7 -35.66 6.31 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.74 0.305 . . . . 0.0 111.145 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -151.7 27.79 0.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.239 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.912 ' CD2' HD21 ' D' ' 128' ' ' LEU . 54.1 m-85 -134.51 71.79 1.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.474 179.767 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.423 ' HB2' ' HB ' ' C' ' 62' ' ' THR . 2.2 mt-10 -58.97 94.71 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.783 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.559 HG23 HG21 ' B' ' 124' ' ' THR . 0.0 OUTLIER -72.59 103.66 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.009 0.433 . . . . 0.0 110.957 -179.92 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.477 ' HB ' ' HB2' ' C' ' 60' ' ' GLU . 1.9 m -85.25 112.92 21.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.652 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.449 ' CD1' ' CE2' ' C' ' 59' ' ' TYR . 0.2 OUTLIER -88.34 132.21 34.51 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.785 -179.844 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.695 HD23 ' N ' ' A' ' 64' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.004 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 82' ' ' LEU . . . . . 0.796 ' O ' HD23 ' B' ' 82' ' ' LEU . 8.8 tt . . . . . 0 N--CA 1.447 -0.611 0 CA-C-O 121.415 0.626 . . . . 0.0 110.111 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 83' ' ' LEU . . . . . 0.988 HD23 ' H ' ' B' ' 84' ' ' ALA . 0.5 OUTLIER -75.18 -39.72 59.98 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.093 -0.958 . . . . 0.0 111.385 -179.352 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 0.988 ' H ' HD23 ' B' ' 83' ' ' LEU . . . -65.4 -26.18 67.88 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.064 -178.854 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 85' ' ' ALA . . . . . 1.02 ' HB1' ' HB3' ' B' ' 126' ' ' LEU . . . -53.35 -25.16 14.2 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.055 0.455 . . . . 0.0 110.262 179.231 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -124.67 -45.22 1.92 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.785 178.663 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 87' ' ' ARG . . . . . 0.6 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 8.8 ttt180 -58.5 -46.73 86.1 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.314 179.014 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 88' ' ' ALA . . . . . 0.782 ' HB3' ' O ' ' B' ' 84' ' ' ALA . . . -65.06 -41.19 95.37 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.906 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 89' ' ' VAL . . . . . 0.759 HG13 ' CD1' ' B' ' 117' ' ' PHE . 46.2 t -68.62 -36.65 75.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.649 179.44 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 11.5 t -76.04 -41.06 51.99 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.515 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 91' ' ' GLN . . . . . 0.48 ' NE2' ' HA ' ' B' ' 88' ' ' ALA . 7.7 pt20 -66.67 -49.24 66.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.186 0.517 . . . . 0.0 109.676 179.779 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 92' ' ' VAL . . . . . 0.698 HG23 ' O ' ' B' ' 88' ' ' ALA . 46.8 t -64.89 -28.03 43.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.31 177.826 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 93' ' ' LEU . . . . . 0.734 HD21 ' HA ' ' B' ' 114' ' ' HIS . 1.7 mt -60.94 -45.99 92.48 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.353 179.543 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -76.12 -25.68 55.61 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.957 -179.696 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 95' ' ' SER . . . . . 0.716 ' HB2' HD21 ' A' ' 33' ' ' LEU . 9.7 p -79.02 -27.51 43.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.642 -179.714 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 96' ' ' LEU . . . . . 0.919 HD22 HD22 ' B' ' 110' ' ' LEU . 0.2 OUTLIER -37.43 -52.3 1.13 Allowed 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 112.589 0.588 . . . . 0.0 112.589 -179.332 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -69.46 -29.53 67.24 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.152 -179.262 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 98' ' ' GLU . . . . . 0.796 ' O ' ' HB3' ' B' ' 101' ' ' ALA . 0.1 OUTLIER -69.64 -34.69 74.39 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 177.898 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 99' ' ' ILE . . . . . 0.462 ' HB ' ' O ' ' B' ' 96' ' ' LEU . 39.6 mt -61.99 -49.23 84.99 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.819 0 CA-C-N 114.471 -1.241 . . . . 0.0 109.852 178.444 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 100' ' ' HIS . . . . . 0.867 ' HB2' HD11 ' B' ' 110' ' ' LEU . 0.1 OUTLIER -56.46 -33.9 66.35 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 178.084 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 101' ' ' ALA . . . . . 0.796 ' HB3' ' O ' ' B' ' 98' ' ' GLU . . . -56.56 -45.32 81.31 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.494 -1.23 . . . . 0.0 111.993 179.408 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 102' ' ' LEU . . . . . 0.778 HD21 ' OE2' ' B' ' 98' ' ' GLU . 0.4 OUTLIER -117.32 30.22 7.43 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 -177.257 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 103' ' ' THR . . . . . 0.714 HG22 ' O ' ' A' ' 24' ' ' LYS . 40.8 p -146.87 -32.58 0.31 Allowed 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.994 -0.283 . . . . 0.0 111.529 179.568 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 69.42 27.44 4.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.066 0.46 . . . . 0.0 110.486 -179.558 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 105' ' ' SER . . . . . 0.416 ' HB3' ' CE1' ' A' ' 21' ' ' TYR . 27.4 m -51.4 -76.98 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.835 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 168.28 104.8 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.509 179.757 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 66.5 tt0 -48.08 -32.87 7.34 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.929 0.395 . . . . 0.0 110.638 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.46 -47.19 73.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.796 179.071 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 109' ' ' ASP . . . . . 0.665 ' O ' HD12 ' B' ' 113' ' ' LEU . 4.0 m-20 -63.98 -36.62 84.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.85 179.039 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 110' ' ' LEU . . . . . 0.919 HD22 HD22 ' B' ' 96' ' ' LEU . 17.1 mt -59.8 -44.93 93.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.07 179.091 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 111' ' ' ASP . . . . . 0.576 ' HA ' ' CD2' ' B' ' 114' ' ' HIS . 7.1 m-20 -60.79 -41.79 96.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.661 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 112' ' ' PHE . . . . . 0.501 ' O ' HG23 ' B' ' 116' ' ' VAL . 0.2 OUTLIER -58.66 -39.83 81.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.575 179.728 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 113' ' ' LEU . . . . . 0.673 HD23 ' HB1' ' A' ' 14' ' ' ALA . 0.5 OUTLIER -74.58 -31.78 62.17 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.977 -179.894 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 114' ' ' HIS . . . . . 0.734 ' HA ' HD21 ' B' ' 93' ' ' LEU . 0.0 OUTLIER -61.38 -34.74 75.84 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 178.585 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.12 -37.44 61.43 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 178.48 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 116' ' ' VAL . . . . . 0.821 HG11 ' CB ' ' A' ' 14' ' ' ALA . 38.7 t -62.47 -23.83 33.47 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.027 178.564 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 117' ' ' PHE . . . . . 0.759 ' CD1' HG13 ' B' ' 89' ' ' VAL . 25.0 m-85 -102.95 -29.09 11.63 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.22 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.86 -31.17 71.97 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.832 0.349 . . . . 0.0 111.113 -179.539 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -45.75 121.46 3.14 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.456 -179.596 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 5.2 tp60 -66.29 -43.46 86.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.849 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 121' ' ' HIS . . . . . 0.401 ' O ' ' HG ' ' B' ' 125' ' ' LEU . 0.3 OUTLIER -55.74 -33.87 64.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.804 179.721 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 122' ' ' LEU . . . . . 0.885 HD12 HD12 ' B' ' 125' ' ' LEU . 33.2 tp -55.82 -47.43 77.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.613 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 123' ' ' HIS . . . . . 0.889 ' HA ' HD12 ' B' ' 126' ' ' LEU . 0.0 OUTLIER -55.98 -25.75 45.33 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 179.18 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 124' ' ' THR . . . . . 0.559 HG21 HG23 ' A' ' 61' ' ' VAL . 1.3 m -74.39 -37.51 63.38 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 178.842 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 125' ' ' LEU . . . . . 0.885 HD12 HD12 ' B' ' 122' ' ' LEU . 3.4 mt -73.14 -32.45 64.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.364 178.12 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 126' ' ' LEU . . . . . 1.02 ' HB3' ' HB1' ' B' ' 85' ' ' ALA . 8.7 mt -73.27 -50.43 22.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.071 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -66.17 -39.04 89.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.996 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 128' ' ' LEU . . . . . 0.929 HD21 ' CD2' ' C' ' 59' ' ' TYR . 84.4 mt -72.73 -34.07 66.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.497 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 129' ' ' TYR . . . . . 0.834 ' CE2' HG23 ' A' ' 43' ' ' ILE . 0.3 OUTLIER -60.41 -51.98 67.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.734 -179.636 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 130' ' ' ASP . . . . . 0.715 ' OD2' ' HB2' ' B' ' 85' ' ' ALA . 35.9 m-20 -76.42 -27.49 56.28 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.331 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 18.1 mttp -59.58 -51.89 67.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.757 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 132' ' ' ILE . . . . . 0.828 ' CG1' HD11 ' C' ' 55' ' ' ILE . 3.0 mt -73.46 -38.39 52.77 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.527 179.651 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 133' ' ' ASN . . . . . 0.445 ' HB2' HD23 ' A' ' 48' ' ' LEU . 57.2 t30 -59.52 -30.12 68.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.774 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 90.6 m -81.4 -31.69 33.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -79.31 -34.01 42.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 7' ' ' ARG . . . . . 0.611 ' O ' HG23 ' C' ' 11' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.219 0 N-CA-C 110.511 -0.181 . . . . 0.0 110.511 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 8' ' ' LYS . . . . . 0.56 ' HG2' HG21 ' C' ' 53' ' ' ILE . 12.7 mtmt -67.68 -31.89 72.18 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.031 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 58.0 mm-40 -80.65 -32.02 36.27 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.188 179.242 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 10' ' ' ASP . . . . . 0.808 ' OD2' HG22 ' D' ' 116' ' ' VAL . 0.0 OUTLIER -81.55 -30.06 33.25 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.955 0.407 . . . . 0.0 110.21 179.702 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' C' C ' 11' ' ' THR . . . . . 0.611 HG23 ' O ' ' C' ' 7' ' ' ARG . 21.6 p -73.04 -42.3 63.27 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.808 179.169 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 12' ' ' GLN . . . . . 0.526 ' O ' ' HB2' ' C' ' 16' ' ' HIS . 0.6 OUTLIER -69.04 -48.4 62.95 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.18 179.196 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -63.54 -24.98 68.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.991 179.135 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 14' ' ' ALA . . . . . 0.929 ' CB ' HG11 ' D' ' 116' ' ' VAL . . . -78.39 -52.52 8.45 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.717 179.06 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 15' ' ' LEU . . . . . 0.756 HD22 ' HB3' ' C' ' 44' ' ' PHE . 0.4 OUTLIER -66.42 -28.39 68.58 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.011 179.753 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' C' C ' 16' ' ' HIS . . . . . 0.526 ' HB2' ' O ' ' C' ' 12' ' ' GLN . 0.1 OUTLIER -72.24 -45.09 61.68 Favored 'General case' 0 CA--C 1.519 -0.224 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 178.502 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' C' C ' 17' ' ' LEU . . . . . 0.93 HD22 ' CZ ' ' C' ' 21' ' ' TYR . 1.5 mt -62.55 -38.57 90.54 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.266 178.6 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 18' ' ' LEU . . . . . 0.942 ' CD2' HG11 ' D' ' 92' ' ' VAL . 36.3 mt -61.03 -43.15 99.32 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.815 -1.084 . . . . 0.0 110.831 179.702 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 19' ' ' GLU . . . . . 0.416 ' O ' ' HG2' ' C' ' 22' ' ' ARG . 2.0 mt-10 -62.09 -42.34 99.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.982 -179.779 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -72.8 -32.87 65.87 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.231 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 21' ' ' TYR . . . . . 0.93 ' CZ ' HD22 ' C' ' 17' ' ' LEU . 17.1 m-30 -70.3 -47.21 62.18 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.658 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 22' ' ' ARG . . . . . 0.443 ' HB2' ' HB2' ' C' ' 34' ' ' ARG . 0.4 OUTLIER -58.24 -45.4 87.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.912 179.859 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' C' C ' 23' ' ' SER . . . . . 0.432 ' N ' ' HG3' ' C' ' 22' ' ' ARG . 4.3 m -59.35 -41.63 89.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.579 179.651 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 24' ' ' LYS . . . . . 0.457 ' HG3' ' HB ' ' D' ' 103' ' ' THR . 9.8 ptmt -91.08 1.68 56.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.198 179.636 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 25' ' ' LEU . . . . . 0.873 HD12 HD11 ' C' ' 37' ' ' ILE . 0.1 OUTLIER -87.97 -69.82 0.67 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.96 0.409 . . . . 0.0 111.153 -179.63 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' C' C ' 26' ' ' SER . . . . . 0.753 ' OG ' ' HB3' ' C' ' 34' ' ' ARG . 69.5 m -62.94 -153.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.087 -179.152 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 27' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 60.39 21.02 10.62 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-O 120.961 0.41 . . . . 0.0 109.985 -179.371 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 28' ' ' THR . . . . . 0.62 HG23 ' N ' ' C' ' 29' ' ' GLU . 8.3 t -144.62 -57.85 0.36 Allowed 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.002 -179.389 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 29' ' ' GLU . . . . . 0.62 ' N ' HG23 ' C' ' 28' ' ' THR . 16.4 pt-20 -177.61 28.45 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.721 -179.343 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -149.48 53.26 0.95 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.994 0.426 . . . . 0.0 110.761 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 31' ' ' ARG . . . . . 0.493 ' HD2' ' HB3' ' C' ' 26' ' ' SER . 13.7 mmm180 -63.6 -53.37 52.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.867 -179.787 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.46 -36.5 71.52 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.593 179.702 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 33' ' ' LEU . . . . . 0.808 ' HG ' HD11 ' C' ' 25' ' ' LEU . 1.1 tp -60.12 -48.87 79.91 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.322 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 34' ' ' ARG . . . . . 0.753 ' HB3' ' OG ' ' C' ' 26' ' ' SER . 0.0 OUTLIER -61.41 -29.74 70.12 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 179.203 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 1.7 t -59.68 -42.97 94.12 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.428 178.424 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 36' ' ' SER . . . . . 0.663 ' O ' HG23 ' C' ' 40' ' ' VAL . 11.3 p -62.58 -42.31 99.48 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 178.484 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 37' ' ' ILE . . . . . 0.873 HD11 HD12 ' C' ' 25' ' ' LEU . 40.6 mt -59.82 -41.66 86.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 178.306 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 38' ' ' GLU . . . . . 0.41 ' HG2' ' NH1' ' C' ' 22' ' ' ARG . 7.1 mt-10 -58.6 -53.26 60.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 114.764 -1.107 . . . . 0.0 111.396 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 39' ' ' ARG . . . . . 0.463 ' HG3' ' HB1' ' D' ' 88' ' ' ALA . 4.2 ptp85 -55.91 -34.37 65.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.874 0.369 . . . . 0.0 110.05 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 40' ' ' VAL . . . . . 0.663 HG23 ' O ' ' C' ' 36' ' ' SER . 59.7 t -68.79 -30.24 46.35 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.844 178.435 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 41' ' ' ILE . . . . . 0.753 HD11 ' CB ' ' C' ' 18' ' ' LEU . 20.3 mm -69.34 -60.37 2.55 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.144 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.98 179.371 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 19.8 p -56.7 -46.01 81.47 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.901 0.381 . . . . 0.0 110.384 -179.557 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 43' ' ' ILE . . . . . . . . . . . . . 21.5 mt -60.44 -33.16 53.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.803 178.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 44' ' ' PHE . . . . . 0.756 ' HB3' HD22 ' C' ' 15' ' ' LEU . 0.2 OUTLIER -72.73 -60.06 2.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.839 179.55 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' C' C ' 45' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -78.39 -2.03 36.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.98 -178.671 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 46' ' ' SER . . . . . 0.407 ' CB ' ' CE1' ' D' ' 129' ' ' TYR . 0.1 OUTLIER -47.66 151.73 0.8 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.813 0.34 . . . . 0.0 111.46 -179.698 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.78 -31.84 70.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.987 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 48' ' ' LEU . . . . . 0.681 HD12 ' HA ' ' D' ' 129' ' ' TYR . 0.3 OUTLIER -77.68 -47.04 20.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.082 179.691 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' C' C ' 49' ' ' PHE . . . . . 0.984 ' CE2' HD11 ' C' ' 53' ' ' ILE . 71.1 t80 -50.68 -56.18 13.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.249 -179.44 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -54.45 -39.64 67.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.837 0.351 . . . . 0.0 110.796 179.656 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 51' ' ' ALA . . . . . 0.615 ' HB1' HG23 ' B' ' 132' ' ' ILE . . . -58.65 -45.28 89.67 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.063 0.459 . . . . 0.0 110.464 179.507 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 52' ' ' LEU . . . . . 0.557 HD13 ' O ' ' D' ' 125' ' ' LEU . 1.5 mt -61.34 -45.21 95.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.003 179.312 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 53' ' ' ILE . . . . . 0.984 HD11 ' CE2' ' C' ' 49' ' ' PHE . 54.9 mt -55.55 -31.84 29.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.228 179.125 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.9 -35.94 67.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.173 179.199 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 55' ' ' ILE . . . . . 0.828 HD11 ' CG1' ' B' ' 132' ' ' ILE . 56.5 mt -64.1 -50.7 75.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.789 179.573 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 56' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -50.21 -24.88 3.12 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.501 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 57' ' ' GLU . . . . . 0.407 ' O ' ' CD2' ' C' ' 58' ' ' PHE . 3.2 mm-40 -46.66 -29.66 1.97 Allowed 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.869 0.366 . . . . 0.0 110.992 179.77 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 58' ' ' PHE . . . . . 0.407 ' CD2' ' O ' ' C' ' 57' ' ' GLU . 61.1 m-85 -157.24 27.66 0.3 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.156 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 59' ' ' TYR . . . . . 0.929 ' CD2' HD21 ' B' ' 128' ' ' LEU . 47.5 m-85 -137.67 74.58 1.49 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.691 179.7 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 60' ' ' GLU . . . . . 0.477 ' HB2' ' HB ' ' A' ' 62' ' ' THR . 0.7 OUTLIER -57.74 91.83 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.207 -179.847 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' C' C ' 61' ' ' VAL . . . . . 0.551 HG23 HG21 ' D' ' 124' ' ' THR . 0.1 OUTLIER -73.35 99.99 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 120.834 0.349 . . . . 0.0 111.02 179.888 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' C' C ' 62' ' ' THR . . . . . 0.423 ' HB ' ' HB2' ' A' ' 60' ' ' GLU . 2.8 m -84.84 119.01 24.84 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.413 179.614 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 63' ' ' LEU . . . . . 0.528 HD13 ' CE1' ' D' ' 123' ' ' HIS . 0.2 OUTLIER -91.94 134.54 34.7 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.056 -179.704 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' C' C ' 64' ' ' LEU . . . . . 0.714 ' N ' HD23 ' C' ' 64' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.778 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 82' ' ' LEU . . . . . 0.841 ' N ' HD23 ' D' ' 82' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 83' ' ' LEU . . . . . 0.967 HD23 ' H ' ' D' ' 84' ' ' ALA . 0.1 OUTLIER -59.12 -53.82 54.01 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 114.839 -1.073 . . . . 0.0 110.688 179.912 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' D' D ' 84' ' ' ALA . . . . . 0.967 ' H ' HD23 ' D' ' 83' ' ' LEU . . . -72.18 -22.94 61.21 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.07 -179.294 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 85' ' ' ALA . . . . . 0.861 ' HB1' ' HB2' ' D' ' 126' ' ' LEU . . . -52.75 -25.38 11.0 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.147 0.499 . . . . 0.0 109.854 179.167 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 86' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -127.11 -39.66 1.9 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.08 178.714 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 87' ' ' ARG . . . . . 0.739 ' HB3' ' O ' ' D' ' 83' ' ' LEU . 12.3 ttt180 -63.75 -40.34 96.47 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.269 179.263 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 88' ' ' ALA . . . . . 0.74 ' HB2' ' HB1' ' D' ' 84' ' ' ALA . . . -68.63 -49.67 57.37 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.682 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 89' ' ' VAL . . . . . 0.669 HG12 ' HB3' ' D' ' 117' ' ' PHE . 27.5 t -66.82 -34.71 71.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.349 179.261 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 90' ' ' SER . . . . . 0.485 ' HA ' ' HB2' ' D' ' 93' ' ' LEU . 58.3 m -76.16 -25.49 55.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.697 179.572 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 91' ' ' GLN . . . . . 0.441 ' NE2' ' HG2' ' D' ' 87' ' ' ARG . 10.2 mt-30 -66.81 -54.52 21.68 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-O 121.31 0.576 . . . . 0.0 109.524 179.369 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 92' ' ' VAL . . . . . 0.942 HG11 ' CD2' ' C' ' 18' ' ' LEU . 3.7 t -68.09 -28.06 39.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.945 178.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 93' ' ' LEU . . . . . 0.727 HD21 ' HA ' ' D' ' 114' ' ' HIS . 2.0 mt -66.22 -32.96 74.7 Favored 'General case' 0 C--O 1.23 0.059 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.284 179.707 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -86.29 -44.66 11.94 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.834 0.35 . . . . 0.0 111.355 -179.279 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 95' ' ' SER . . . . . 0.717 ' HB3' HD21 ' C' ' 33' ' ' LEU . 0.3 OUTLIER -79.98 -13.86 59.02 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.093 -0.503 . . . . 0.0 112.318 -179.284 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' D' D ' 96' ' ' LEU . . . . . 0.973 HD12 ' CD2' ' D' ' 114' ' ' HIS . 0.2 OUTLIER -39.49 -52.09 2.14 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -179.355 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -68.21 -31.43 70.93 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.232 -179.257 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 98' ' ' GLU . . . . . 0.84 ' O ' ' HB3' ' D' ' 101' ' ' ALA . 0.1 OUTLIER -69.87 -33.38 72.17 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 178.204 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' D' D ' 99' ' ' ILE . . . . . 0.517 HG23 HG21 ' D' ' 103' ' ' THR . 50.8 mt -63.21 -48.99 84.99 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.811 0 CA-C-N 114.521 -1.218 . . . . 0.0 109.491 178.458 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 100' ' ' HIS . . . . . 0.792 ' HB2' HD11 ' D' ' 110' ' ' LEU . 0.1 OUTLIER -55.43 -34.59 64.58 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 177.944 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' D' D ' 101' ' ' ALA . . . . . 0.84 ' HB3' ' O ' ' D' ' 98' ' ' GLU . . . -54.97 -46.88 75.11 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 114.445 -1.252 . . . . 0.0 111.582 178.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 102' ' ' LEU . . . . . 0.776 HD21 ' OE2' ' D' ' 98' ' ' GLU . 0.4 OUTLIER -116.82 35.47 4.59 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.312 -0.858 . . . . 0.0 112.464 -177.836 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' D' D ' 103' ' ' THR . . . . . 0.667 HG23 HD12 ' D' ' 102' ' ' LEU . 49.9 p -152.0 -30.89 0.16 Allowed 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.902 -0.319 . . . . 0.0 111.783 179.796 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 76.64 22.85 1.13 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.008 0.432 . . . . 0.0 110.669 -179.452 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 105' ' ' SER . . . . . 0.467 ' HB3' ' CE1' ' C' ' 21' ' ' TYR . 1.9 p -57.02 -21.64 32.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.917 179.479 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 106' ' ' SER . . . . . 0.408 ' CB ' ' O ' ' D' ' 105' ' ' SER . 4.4 t 81.47 120.85 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.748 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -51.16 -29.17 12.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.124 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.72 -55.11 39.15 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.024 0.44 . . . . 0.0 110.201 179.641 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 109' ' ' ASP . . . . . 0.667 ' O ' HD12 ' D' ' 113' ' ' LEU . 68.3 m-20 -63.19 -35.28 79.78 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.956 179.063 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 110' ' ' LEU . . . . . 0.935 HD22 HD22 ' D' ' 96' ' ' LEU . 40.2 mt -63.71 -40.18 96.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.105 179.212 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 111' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -61.45 -44.38 97.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.399 179.704 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 112' ' ' PHE . . . . . 0.59 ' O ' HG23 ' D' ' 116' ' ' VAL . 3.1 t80 -58.98 -42.28 89.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.303 179.541 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 113' ' ' LEU . . . . . 0.692 HD11 ' CD1' ' C' ' 17' ' ' LEU . 0.5 OUTLIER -73.06 -31.66 64.55 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.797 -179.797 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' D' D ' 114' ' ' HIS . . . . . 0.973 ' CD2' HD12 ' D' ' 96' ' ' LEU . 36.7 m170 -60.21 -35.4 75.33 Favored 'General case' 0 CA--C 1.518 -0.273 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 177.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 115' ' ' SER . . . . . 0.428 ' HA ' ' HB2' ' D' ' 118' ' ' GLN . 4.7 t -73.81 -39.44 64.08 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.03 178.806 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 116' ' ' VAL . . . . . 0.929 HG11 ' CB ' ' C' ' 14' ' ' ALA . 62.5 t -60.67 -23.49 29.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.91 178.475 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 117' ' ' PHE . . . . . 0.669 ' HB3' HG12 ' D' ' 89' ' ' VAL . 7.9 m-30 -106.24 -21.47 13.1 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.393 -179.672 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 118' ' ' GLN . . . . . 0.632 HE22 ' HB3' ' D' ' 114' ' ' HIS . 0.0 OUTLIER -71.83 -30.44 65.49 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.718 0.294 . . . . 0.0 111.134 -179.745 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -43.48 142.57 1.11 Allowed 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.734 -179.478 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 120' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -82.79 -48.76 10.45 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.843 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 121' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.7 -34.0 64.69 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.549 179.694 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 122' ' ' LEU . . . . . 0.808 HD22 ' O ' ' D' ' 116' ' ' VAL . 43.0 tp -55.8 -49.25 73.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.145 179.656 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 123' ' ' HIS . . . . . 0.878 ' HA ' HD12 ' D' ' 126' ' ' LEU . 0.0 OUTLIER -52.31 -27.13 14.08 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.094 179.08 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' D' D ' 124' ' ' THR . . . . . 0.59 HG22 HD11 ' D' ' 128' ' ' LEU . 3.6 m -75.44 -35.25 60.96 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.948 179.243 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 125' ' ' LEU . . . . . 0.806 HD12 HD12 ' D' ' 122' ' ' LEU . 14.7 mt -65.26 -41.19 94.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.229 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 126' ' ' LEU . . . . . 0.878 HD12 ' HA ' ' D' ' 123' ' ' HIS . 0.3 OUTLIER -73.13 -41.42 64.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.263 -179.65 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' D' D ' 127' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.4 -53.25 60.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.862 0.363 . . . . 0.0 111.08 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 128' ' ' LEU . . . . . 0.912 HD21 ' CD2' ' A' ' 59' ' ' TYR . 5.2 mt -70.16 -29.54 66.47 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.323 179.729 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 129' ' ' TYR . . . . . 0.681 ' HA ' HD12 ' C' ' 48' ' ' LEU . 3.2 t80 -56.27 -53.53 56.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.515 -179.173 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 130' ' ' ASP . . . . . 0.436 ' HB3' ' CD2' ' D' ' 82' ' ' LEU . 1.7 m-20 -77.51 -29.37 52.41 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.51 -0.313 . . . . 0.0 111.386 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.56 -53.91 48.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.932 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 132' ' ' ILE . . . . . 0.728 HD12 ' O ' ' D' ' 128' ' ' LEU . 1.8 mt -77.02 -41.8 31.55 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.755 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 133' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 . . . . . 0 C--N 1.326 -0.422 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.246 -179.517 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.21 0 N-CA-C 110.059 -0.348 . . . . 0.0 110.059 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.98 -37.86 88.95 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 121.157 0.503 . . . . 0.0 109.763 178.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 56.2 mm-40 -73.77 -31.57 63.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.12 179.175 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.31 -34.14 55.46 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.016 179.594 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.3 p -72.95 -47.82 42.17 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.019 179.376 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.553 ' HA ' HD23 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -63.6 -34.19 77.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.089 179.54 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.411 ' HD3' ' CZ ' ' B' ' 112' ' ' PHE . 59.3 ttt85 -75.32 -25.48 57.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.106 179.043 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.827 ' CB ' HG11 ' B' ' 116' ' ' VAL . . . -78.38 -55.34 5.31 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 178.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.781 ' O ' HD12 ' A' ' 41' ' ' ILE . 0.3 OUTLIER -60.37 -28.45 68.21 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.128 179.365 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.2 m170 -73.99 -45.46 49.82 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.228 0.537 . . . . 0.0 110.038 179.006 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.678 ' CD1' HD11 ' B' ' 113' ' ' LEU . 2.1 mt -60.65 -49.45 77.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.791 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 1.062 HD22 HG11 ' B' ' 92' ' ' VAL . 0.9 OUTLIER -61.99 -35.27 78.03 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.271 179.811 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.434 ' CG ' HG21 ' A' ' 41' ' ' ILE . 8.8 mt-10 -58.14 -43.44 87.34 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.183 0.516 . . . . 0.0 110.22 179.286 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.52 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 7.3 mm-40 -69.74 -34.37 73.73 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.892 179.37 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.623 ' CZ ' HD22 ' A' ' 17' ' ' LEU . 22.4 m-30 -66.52 -48.56 69.34 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.804 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.421 ' CG ' ' O ' ' A' ' 19' ' ' GLU . 0.3 OUTLIER -55.47 -42.83 74.89 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 120.781 0.324 . . . . 0.0 110.48 179.742 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.407 ' O ' ' CG ' ' A' ' 27' ' ' GLN . 0.8 OUTLIER -63.55 -32.54 74.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.116 179.475 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.52 ' HG3' ' O ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -114.31 21.69 14.43 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.714 0.292 . . . . 0.0 111.762 -179.736 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.88 HD12 HD11 ' A' ' 37' ' ' ILE . 0.0 OUTLIER -118.14 -55.92 2.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.808 0.337 . . . . 0.0 110.87 -179.715 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.555 ' HB2' ' HA ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -67.85 -12.11 59.98 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.181 -0.463 . . . . 0.0 112.12 -178.944 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.434 ' OE1' ' NH1' ' A' ' 31' ' ' ARG . 2.1 mm100 -79.37 55.57 1.94 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.757 0.313 . . . . 0.0 110.885 -179.719 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.495 HG23 ' N ' ' A' ' 29' ' ' GLU . 5.8 t -173.42 -54.02 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.822 0.304 . . . . 0.0 111.822 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.495 ' N ' HG23 ' A' ' 28' ' ' THR . 8.5 pt-20 -175.1 27.64 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.983 -179.307 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -136.77 48.13 2.12 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.018 0.437 . . . . 0.0 111.227 -179.643 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.555 ' HA ' ' HB2' ' A' ' 26' ' ' SER . 25.6 mmm180 -61.55 -46.95 87.75 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.202 0.525 . . . . 0.0 110.149 179.308 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.72 -46.78 86.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.58 178.696 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.691 HD21 ' HB3' ' B' ' 95' ' ' SER . 5.2 tp -54.33 -33.43 58.91 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.872 178.817 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.499 ' HB2' ' HB2' ' A' ' 26' ' ' SER . 0.6 OUTLIER -60.68 -47.24 87.13 Favored 'General case' 0 CA--C 1.513 -0.468 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.273 178.746 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.3 t -55.42 -37.26 67.41 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.171 179.062 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.439 ' HA ' ' HD2' ' A' ' 39' ' ' ARG . 1.5 m -67.89 -51.18 51.0 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.166 0.508 . . . . 0.0 110.029 179.06 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.88 HD11 HD12 ' A' ' 25' ' ' LEU . 67.0 mt -56.9 -41.63 76.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.796 178.875 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -60.04 -40.52 89.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.738 179.771 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.439 ' HD2' ' HA ' ' A' ' 36' ' ' SER . 7.8 mtt180 -55.49 -51.37 67.2 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 121.266 0.555 . . . . 0.0 109.813 179.37 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.598 HG11 ' CZ ' ' B' ' 117' ' ' PHE . 44.4 t -60.44 -31.45 48.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.536 179.615 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.781 HD12 ' O ' ' A' ' 15' ' ' LEU . 7.2 mm -69.1 -52.6 32.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 N-CA-C 111.76 0.281 . . . . 0.0 111.76 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.4 t -65.7 -48.45 71.95 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.834 0.35 . . . . 0.0 111.19 -179.045 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.813 HG23 ' CE2' ' B' ' 129' ' ' TYR . 8.1 mt -59.65 -33.34 51.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.476 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.718 ' HB3' HD22 ' A' ' 15' ' ' LEU . 3.0 m-85 -72.23 -54.9 8.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.919 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.429 ' HG2' ' O ' ' A' ' 41' ' ' ILE . 20.0 pt20 -82.26 3.16 28.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 112.096 -178.487 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.427 ' OG ' ' CE1' ' B' ' 129' ' ' TYR . 1.6 t -51.29 145.5 8.11 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.85 0.357 . . . . 0.0 111.092 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -61.63 -36.11 79.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.143 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.779 HD21 ' HB ' ' B' ' 132' ' ' ILE . 1.5 tp -77.89 -44.99 25.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.091 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.94 ' O ' HD23 ' A' ' 52' ' ' LEU . 19.1 t80 -50.85 -56.24 13.15 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.905 0.383 . . . . 0.0 111.019 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.63 -36.7 72.17 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.07 0.462 . . . . 0.0 110.483 179.578 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.55 -49.22 78.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.701 -0.682 . . . . 0.0 111.831 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 1.083 HD11 ' HA ' ' B' ' 125' ' ' LEU . 0.2 OUTLIER -72.97 -32.79 65.43 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.893 -179.268 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.747 HG12 HD13 ' B' ' 125' ' ' LEU . 54.2 mt -55.44 -38.38 48.66 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 178.11 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -68.37 -43.08 78.18 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.271 178.338 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.766 HG22 ' HB2' ' A' ' 59' ' ' TYR . 82.9 mt -49.93 -40.37 16.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.637 178.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.98 -23.76 8.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.516 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -48.08 -28.27 2.77 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.837 0.351 . . . . 0.0 111.299 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -155.51 25.92 0.4 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.303 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.848 ' CD2' HD21 ' D' ' 128' ' ' LEU . 42.5 m-85 -135.14 82.77 1.98 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.834 179.735 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.22 92.18 0.18 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.907 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -72.77 96.72 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 CA-C-O 120.899 0.38 . . . . 0.0 110.54 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.414 ' HB ' ' HB2' ' C' ' 60' ' ' GLU . 9.0 m -83.97 109.06 17.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.607 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.922 HD12 HG23 ' B' ' 124' ' ' THR . 0.2 OUTLIER -86.36 131.88 34.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.731 179.826 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.779 HD23 ' N ' ' A' ' 64' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.887 -179.638 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 82' ' ' LEU . . . . . 0.53 HD23 ' C ' ' B' ' 82' ' ' LEU . 8.5 tt . . . . . 0 N--CA 1.448 -0.555 0 CA-C-O 121.233 0.54 . . . . 0.0 110.646 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 83' ' ' LEU . . . . . 0.992 HD23 ' H ' ' B' ' 84' ' ' ALA . 0.7 OUTLIER -66.26 -39.61 89.59 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.18 -0.918 . . . . 0.0 111.621 -179.388 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 0.992 ' H ' HD23 ' B' ' 83' ' ' LEU . . . -70.86 -26.88 63.46 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.797 -178.135 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 85' ' ' ALA . . . . . 0.945 ' HB1' ' HB3' ' B' ' 126' ' ' LEU . . . -53.39 -23.66 10.26 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.942 0.401 . . . . 0.0 110.405 179.434 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -123.62 -43.28 2.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.71 178.506 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 87' ' ' ARG . . . . . 0.663 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 7.2 ttt85 -61.65 -51.58 67.87 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.298 178.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 88' ' ' ALA . . . . . 0.716 ' HB3' ' O ' ' B' ' 84' ' ' ALA . . . -60.15 -35.97 76.5 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.495 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 89' ' ' VAL . . . . . 0.633 HG13 ' CD2' ' B' ' 117' ' ' PHE . 55.2 t -59.83 -45.38 94.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.213 179.131 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 6.1 m -70.65 -24.92 62.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.292 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 91' ' ' GLN . . . . . 0.585 HE21 ' HG2' ' B' ' 87' ' ' ARG . 58.4 mt-30 -67.98 -57.52 6.04 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-O 121.308 0.575 . . . . 0.0 109.932 179.732 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 92' ' ' VAL . . . . . 1.062 HG11 HD22 ' A' ' 18' ' ' LEU . 4.1 t -66.72 -27.85 41.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.088 179.327 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 93' ' ' LEU . . . . . 0.697 HD21 ' HA ' ' B' ' 114' ' ' HIS . 3.8 mt -66.83 -34.66 78.3 Favored 'General case' 0 C--O 1.23 0.077 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.11 179.594 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -89.21 -33.25 17.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.81 0.338 . . . . 0.0 111.355 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 95' ' ' SER . . . . . 0.691 ' HB3' HD21 ' A' ' 33' ' ' LEU . 1.2 m -80.11 -26.1 39.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 112.062 -179.31 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 96' ' ' LEU . . . . . 0.914 HD22 HD22 ' B' ' 110' ' ' LEU . 0.2 OUTLIER -38.79 -52.16 1.71 Allowed 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 112.55 0.574 . . . . 0.0 112.55 -178.912 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -68.65 -30.32 69.0 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.96 0.409 . . . . 0.0 111.115 -179.148 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 98' ' ' GLU . . . . . 0.806 ' O ' ' HB3' ' B' ' 101' ' ' ALA . 0.1 OUTLIER -69.49 -35.25 75.37 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 177.905 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 99' ' ' ILE . . . . . 0.497 HG23 HG21 ' B' ' 103' ' ' THR . 42.9 mt -61.0 -49.05 86.34 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.764 0 CA-C-N 114.323 -1.308 . . . . 0.0 109.646 178.368 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 100' ' ' HIS . . . . . 0.934 ' HB2' HD11 ' B' ' 110' ' ' LEU . 0.1 OUTLIER -57.17 -33.83 67.84 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 178.268 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 101' ' ' ALA . . . . . 0.806 ' HB3' ' O ' ' B' ' 98' ' ' GLU . . . -57.14 -44.4 83.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.519 -1.219 . . . . 0.0 112.058 179.558 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 102' ' ' LEU . . . . . 0.664 HD13 HD23 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -117.16 26.09 10.02 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 -177.409 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 103' ' ' THR . . . . . 0.641 HG23 HD12 ' B' ' 102' ' ' LEU . 41.2 p -141.42 -32.73 0.53 Allowed 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 121.018 -0.273 . . . . 0.0 111.346 179.483 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 1.1 t70 68.79 27.64 5.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.986 0.422 . . . . 0.0 110.331 -179.597 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 105' ' ' SER . . . . . 0.413 ' HB3' ' CE1' ' A' ' 21' ' ' TYR . 67.6 m -51.43 -75.72 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.702 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 167.25 104.09 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.418 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -47.15 -33.22 4.96 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.931 0.396 . . . . 0.0 110.495 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.33 -44.43 79.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.553 178.844 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 109' ' ' ASP . . . . . 0.617 ' O ' HD12 ' B' ' 113' ' ' LEU . 34.9 m-20 -62.93 -39.83 95.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.689 178.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 110' ' ' LEU . . . . . 0.934 HD11 ' HB2' ' B' ' 100' ' ' HIS . 26.7 mt -59.68 -48.07 83.11 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.589 179.088 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -52.54 -45.11 66.19 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.89 179.525 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 112' ' ' PHE . . . . . 0.478 ' O ' HG23 ' B' ' 116' ' ' VAL . 2.4 t80 -58.83 -43.47 90.71 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.692 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 113' ' ' LEU . . . . . 0.678 HD11 ' CD1' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -71.01 -40.02 72.05 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.082 -179.768 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 114' ' ' HIS . . . . . 0.697 ' HA ' HD21 ' B' ' 93' ' ' LEU . 50.6 m80 -56.01 -31.89 63.48 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 178.288 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.64 -37.0 57.04 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 178.321 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 116' ' ' VAL . . . . . 0.827 HG11 ' CB ' ' A' ' 14' ' ' ALA . 38.4 t -60.29 -28.15 41.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.942 178.655 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 117' ' ' PHE . . . . . 0.633 ' CD2' HG13 ' B' ' 89' ' ' VAL . 0.6 OUTLIER -96.33 -37.21 10.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.748 -179.859 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 118' ' ' GLN . . . . . 0.41 HE22 ' HB3' ' B' ' 114' ' ' HIS . 0.0 OUTLIER -56.56 -31.36 64.12 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.059 -179.735 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -45.67 127.74 7.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.552 -179.512 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -73.18 -40.1 65.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.681 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -59.34 -35.1 73.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.603 179.761 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 122' ' ' LEU . . . . . 0.776 HD22 ' O ' ' B' ' 116' ' ' VAL . 33.9 tp -56.57 -47.71 78.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.466 179.579 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 123' ' ' HIS . . . . . 1.018 ' HA ' HD12 ' B' ' 126' ' ' LEU . 14.0 m170 -55.88 -23.6 32.09 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.097 178.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 124' ' ' THR . . . . . 0.922 HG23 HD12 ' A' ' 63' ' ' LEU . 3.2 m -78.13 -35.43 49.04 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 178.748 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 125' ' ' LEU . . . . . 1.083 ' HA ' HD11 ' A' ' 52' ' ' LEU . 19.8 mt -71.97 -31.86 66.69 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.166 -0.924 . . . . 0.0 110.354 179.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 126' ' ' LEU . . . . . 1.018 HD12 ' HA ' ' B' ' 123' ' ' HIS . 5.3 mt -73.02 -46.39 52.3 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.401 -179.431 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -63.24 -46.81 85.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.479 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 128' ' ' LEU . . . . . 0.971 HD21 ' CD2' ' C' ' 59' ' ' TYR . 11.0 mt -66.74 -39.27 87.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.963 0.411 . . . . 0.0 110.978 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 129' ' ' TYR . . . . . 0.813 ' CE2' HG23 ' A' ' 43' ' ' ILE . 0.6 OUTLIER -55.47 -47.39 76.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.663 -179.887 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 130' ' ' ASP . . . . . 0.525 ' CG ' ' HA ' ' B' ' 82' ' ' LEU . 0.2 OUTLIER -75.41 -40.17 58.09 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.527 -179.524 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 8.4 tppt? -54.59 -52.08 63.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.599 -179.263 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 132' ' ' ILE . . . . . 0.779 ' HB ' HD21 ' A' ' 48' ' ' LEU . 2.4 mt -72.68 -38.62 58.93 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 CA-C-O 120.9 0.381 . . . . 0.0 110.69 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 133' ' ' ASN . . . . . 0.5 ' HB2' HD23 ' A' ' 48' ' ' LEU . 49.1 t30 -59.18 -34.12 71.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.76 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 56.6 m -61.91 -25.89 67.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.033 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 8.4 mttm -110.9 -12.41 14.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.342 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 11.5 t . . . . . 0 C--N 1.33 -0.268 0 CA-C-O 120.697 0.284 . . . . 0.0 111.227 -179.921 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' C' C ' 7' ' ' ARG . . . . . . . . . . . . . 22.4 ttm105 . . . . . 0 N--CA 1.454 -0.25 0 CA-C-O 120.692 0.282 . . . . 0.0 110.45 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.88 -39.25 93.89 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.085 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -73.82 -25.68 60.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.018 178.696 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 10' ' ' ASP . . . . . 0.499 ' HB3' HG22 ' D' ' 116' ' ' VAL . 1.0 OUTLIER -80.49 -32.64 36.99 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.337 179.583 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' C' C ' 11' ' ' THR . . . . . 0.509 HG22 ' CE1' ' C' ' 44' ' ' PHE . 1.0 OUTLIER -70.63 -41.59 72.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.451 179.504 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' C' C ' 12' ' ' GLN . . . . . 0.426 ' HA ' HD23 ' C' ' 15' ' ' LEU . 0.7 OUTLIER -71.24 -42.86 68.32 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-O 120.923 0.392 . . . . 0.0 110.31 179.571 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 55.5 ttt180 -67.4 -27.03 66.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.806 179.1 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 14' ' ' ALA . . . . . 0.798 ' CB ' HG11 ' D' ' 116' ' ' VAL . . . -78.6 -51.9 9.23 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.568 178.805 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 15' ' ' LEU . . . . . 0.791 HD22 ' HB3' ' C' ' 44' ' ' PHE . 0.3 OUTLIER -66.11 -29.5 69.82 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.516 179.525 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' C' C ' 16' ' ' HIS . . . . . . . . . . . . . 48.7 t60 -70.77 -44.87 65.8 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 178.4 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 17' ' ' LEU . . . . . 0.668 ' CD1' HD11 ' D' ' 113' ' ' LEU . 3.0 mt -62.81 -36.49 83.34 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.153 -0.931 . . . . 0.0 109.348 178.394 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 18' ' ' LEU . . . . . 0.809 ' CD2' HG11 ' D' ' 92' ' ' VAL . 37.1 mt -63.83 -41.98 97.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.44 179.718 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 19' ' ' GLU . . . . . 0.575 ' N ' HD11 ' C' ' 41' ' ' ILE . 0.2 OUTLIER -59.09 -44.17 91.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.171 0.51 . . . . 0.0 110.647 179.806 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -70.38 -32.41 70.06 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.353 179.672 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 21' ' ' TYR . . . . . 0.654 ' O ' ' HB2' ' C' ' 25' ' ' LEU . 14.6 m-30 -70.62 -48.46 54.97 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.884 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 22' ' ' ARG . . . . . 0.431 ' HG3' ' N ' ' C' ' 23' ' ' SER . 0.7 OUTLIER -57.84 -38.59 75.93 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.756 0.312 . . . . 0.0 110.516 179.547 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' C' C ' 23' ' ' SER . . . . . 0.431 ' N ' ' HG3' ' C' ' 22' ' ' ARG . 37.3 m -62.11 -43.95 97.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.945 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 24' ' ' LYS . . . . . 0.404 ' O ' HG22 ' D' ' 103' ' ' THR . 10.4 ptmt -98.16 9.86 41.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.773 -179.761 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 25' ' ' LEU . . . . . 0.914 HD12 HD11 ' C' ' 37' ' ' ILE . 0.0 OUTLIER -103.89 -66.68 0.94 Allowed 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -179.152 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' C' C ' 26' ' ' SER . . . . . 0.543 ' CB ' ' HB2' ' C' ' 34' ' ' ARG . 0.0 OUTLIER -64.87 -15.31 61.76 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 -178.422 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' C' C ' 27' ' ' GLN . . . . . 0.441 ' OE1' ' NH1' ' C' ' 31' ' ' ARG . 0.4 OUTLIER -76.76 57.88 1.35 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.939 0.399 . . . . 0.0 110.788 -179.682 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' C' C ' 28' ' ' THR . . . . . 0.638 HG22 ' O ' ' C' ' 25' ' ' LEU . 8.5 t -176.03 -57.61 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.64 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 29' ' ' GLU . . . . . 0.625 ' N ' HG23 ' C' ' 28' ' ' THR . 11.9 pt-20 -172.34 29.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.982 -0.554 . . . . 0.0 112.113 -178.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 30' ' ' ASP . . . . . 0.417 ' O ' ' HB2' ' C' ' 26' ' ' SER . 0.4 OUTLIER -138.84 44.95 2.03 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.904 0.383 . . . . 0.0 111.405 -179.857 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' C' C ' 31' ' ' ARG . . . . . 0.45 ' HA ' ' HB2' ' C' ' 26' ' ' SER . 6.6 mmm180 -54.69 -49.29 71.03 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.277 0.56 . . . . 0.0 110.404 179.518 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 24.8 tp60 -55.25 -44.14 75.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.893 179.025 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 33' ' ' LEU . . . . . 0.776 ' CD2' HD11 ' C' ' 25' ' ' LEU . 8.8 tp -57.23 -32.69 66.78 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.931 179.258 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 34' ' ' ARG . . . . . 0.543 ' HB2' ' CB ' ' C' ' 26' ' ' SER . 6.3 ttp180 -60.32 -45.57 92.95 Favored 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 178.312 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 15.9 m -54.79 -38.63 67.54 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.873 -1.058 . . . . 0.0 110.035 178.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 36' ' ' SER . . . . . 0.465 ' OG ' HD12 ' C' ' 33' ' ' LEU . 24.6 p -67.38 -51.75 48.27 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.278 179.253 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 37' ' ' ILE . . . . . 0.914 HD11 HD12 ' C' ' 25' ' ' LEU . 27.3 mt -59.49 -32.27 48.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.822 178.807 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -66.61 -43.96 83.36 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.655 179.725 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 39' ' ' ARG . . . . . 0.472 ' HB3' ' CB ' ' D' ' 88' ' ' ALA . 8.5 mtt180 -55.9 -52.42 64.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.081 179.544 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 40' ' ' VAL . . . . . 0.771 HG12 ' CE2' ' C' ' 44' ' ' PHE . 8.0 t -60.42 -31.2 48.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.448 -0.797 . . . . 0.0 110.252 179.802 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 41' ' ' ILE . . . . . 0.579 HD13 ' O ' ' C' ' 15' ' ' LEU . 1.3 mm -70.22 -58.67 4.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.462 179.606 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 53.7 p -57.59 -48.64 78.82 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-O 121.188 0.518 . . . . 0.0 110.447 -179.142 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 43' ' ' ILE . . . . . 0.722 HG23 ' CE2' ' D' ' 129' ' ' TYR . 8.6 mt -59.91 -32.01 48.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.127 178.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 44' ' ' PHE . . . . . 0.791 ' HB3' HD22 ' C' ' 15' ' ' LEU . 0.2 OUTLIER -71.86 -58.82 3.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.048 179.798 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' C' C ' 45' ' ' GLN . . . . . 0.516 ' HG2' ' O ' ' C' ' 41' ' ' ILE . 18.5 pt20 -69.25 -9.19 51.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.021 -0.536 . . . . 0.0 112.204 -178.422 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 46' ' ' SER . . . . . 0.431 ' OG ' ' CE1' ' D' ' 129' ' ' TYR . 0.2 OUTLIER -52.33 129.39 28.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.833 0.349 . . . . 0.0 110.652 179.758 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -57.43 -37.95 73.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.633 -179.462 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 48' ' ' LEU . . . . . 0.748 ' O ' HD12 ' C' ' 48' ' ' LEU . 1.4 tp -67.14 -46.8 72.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.807 0.336 . . . . 0.0 110.096 179.772 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 49' ' ' PHE . . . . . 0.422 ' HZ ' HD11 ' D' ' 122' ' ' LEU . 36.8 t80 -51.55 -39.82 58.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.138 179.41 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 50' ' ' GLN . . . . . 0.424 ' OE1' ' CA ' ' C' ' 50' ' ' GLN . 0.0 OUTLIER -64.61 -42.52 95.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.121 179.3 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.89 -44.12 91.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.843 179.721 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 52' ' ' LEU . . . . . 0.567 HD21 ' HB3' ' D' ' 128' ' ' LEU . 2.3 mt -61.71 -46.42 89.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.345 179.452 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 53' ' ' ILE . . . . . 0.74 HG12 HD13 ' D' ' 125' ' ' LEU . 43.4 mt -54.84 -34.57 31.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.357 179.346 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -73.21 -32.7 64.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.238 179.282 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 55' ' ' ILE . . . . . 0.692 HG22 ' HB2' ' C' ' 59' ' ' TYR . 43.4 mt -65.74 -35.22 74.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.775 179.55 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 56' ' ' GLN . . . . . 0.639 ' OE1' HD21 ' D' ' 125' ' ' LEU . 0.4 OUTLIER -52.76 -23.21 6.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.542 -179.886 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' C' C ' 57' ' ' GLU . . . . . 0.406 ' O ' ' CD2' ' C' ' 58' ' ' PHE . 77.3 mt-10 -46.72 -37.24 8.15 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.657 -179.672 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 58' ' ' PHE . . . . . 0.406 ' CD2' ' O ' ' C' ' 57' ' ' GLU . 63.3 m-85 -155.44 38.9 0.39 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.792 0.33 . . . . 0.0 111.738 -179.59 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 59' ' ' TYR . . . . . 0.971 ' CD2' HD21 ' B' ' 128' ' ' LEU . 50.0 m-85 -141.15 95.1 2.78 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.758 179.639 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 60' ' ' GLU . . . . . 0.414 ' HB2' ' HB ' ' A' ' 62' ' ' THR . 0.7 OUTLIER -82.98 88.15 6.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.812 179.855 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' C' C ' 61' ' ' VAL . . . . . 0.666 HG23 HG21 ' D' ' 124' ' ' THR . 0.0 OUTLIER -72.6 100.71 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.937 0.399 . . . . 0.0 110.998 -179.884 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' C' C ' 62' ' ' THR . . . . . 0.431 ' O ' HD23 ' C' ' 64' ' ' LEU . 2.6 m -84.78 112.37 20.45 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.633 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 63' ' ' LEU . . . . . 0.433 HD12 HG23 ' D' ' 124' ' ' THR . 0.1 OUTLIER -83.78 131.81 34.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.678 179.707 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' C' C ' 64' ' ' LEU . . . . . 0.675 ' N ' HD23 ' C' ' 64' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.424 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.024 -179.694 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 82' ' ' LEU . . . . . 0.587 ' O ' HD23 ' D' ' 82' ' ' LEU . 8.8 tt . . . . . 0 N--CA 1.447 -0.605 0 CA-C-O 121.459 0.647 . . . . 0.0 109.546 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 83' ' ' LEU . . . . . 0.86 HD23 ' H ' ' D' ' 84' ' ' ALA . 0.8 OUTLIER -72.42 -38.66 68.32 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-N 114.935 -1.029 . . . . 0.0 110.59 179.898 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' D' D ' 84' ' ' ALA . . . . . 0.941 ' HB1' ' HB2' ' D' ' 88' ' ' ALA . . . -109.45 1.82 20.13 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 115.111 -0.949 . . . . 0.0 112.135 -178.26 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 85' ' ' ALA . . . . . 0.9 ' HB1' ' HB3' ' D' ' 126' ' ' LEU . . . -52.93 -24.85 10.16 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 177.742 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 86' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -118.87 -36.75 3.37 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 114.786 -1.097 . . . . 0.0 109.309 177.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 87' ' ' ARG . . . . . 0.87 ' HB2' ' HA ' ' D' ' 84' ' ' ALA . 1.0 OUTLIER -63.06 -56.55 15.98 Favored 'General case' 0 CA--C 1.521 -0.144 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.368 179.079 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' D' D ' 88' ' ' ALA . . . . . 0.941 ' HB2' ' HB1' ' D' ' 84' ' ' ALA . . . -55.75 -32.49 63.45 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.492 -179.647 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 89' ' ' VAL . . . . . 0.785 HG13 ' CD1' ' D' ' 117' ' ' PHE . 68.1 t -68.67 -35.45 70.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.552 178.354 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 1.3 m -75.26 -28.44 59.83 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.78 179.599 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 91' ' ' GLN . . . . . 0.549 ' NE2' ' HA ' ' D' ' 88' ' ' ALA . 17.7 mt-30 -65.04 -57.22 9.22 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-O 121.31 0.576 . . . . 0.0 109.494 179.199 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 92' ' ' VAL . . . . . 0.809 HG11 ' CD2' ' C' ' 18' ' ' LEU . 11.3 t -65.12 -28.03 43.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.221 179.362 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 93' ' ' LEU . . . . . 0.721 HD21 ' HA ' ' D' ' 114' ' ' HIS . 2.6 mt -68.17 -32.33 72.51 Favored 'General case' 0 C--O 1.23 0.043 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.371 179.783 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -89.04 -34.56 16.75 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.704 -179.266 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 95' ' ' SER . . . . . 0.611 ' CB ' HD11 ' C' ' 33' ' ' LEU . 4.2 m -80.09 -20.13 45.84 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.098 0.407 . . . . 0.0 112.098 -179.278 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 96' ' ' LEU . . . . . 0.914 HD12 ' CD2' ' D' ' 114' ' ' HIS . 0.2 OUTLIER -38.34 -50.56 1.49 Allowed 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -179.3 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 74.4 mt-10 -69.13 -33.23 73.13 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.032 -179.342 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 98' ' ' GLU . . . . . 0.798 ' O ' ' HB3' ' D' ' 101' ' ' ALA . 0.0 OUTLIER -68.64 -34.44 75.73 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 177.941 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' D' D ' 99' ' ' ILE . . . . . 0.513 HG12 ' HG ' ' C' ' 25' ' ' LEU . 20.6 mt -60.63 -49.27 85.15 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.843 0 CA-C-N 114.453 -1.249 . . . . 0.0 109.94 178.699 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 100' ' ' HIS . . . . . 0.793 ' HB2' HD11 ' D' ' 110' ' ' LEU . 1.2 t60 -54.6 -40.38 68.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 122.137 0.97 . . . . 0.0 108.647 178.17 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 101' ' ' ALA . . . . . 0.798 ' HB3' ' O ' ' D' ' 98' ' ' GLU . . . -51.27 -45.89 62.22 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 113.607 -1.633 . . . . 0.0 111.987 179.606 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 102' ' ' LEU . . . . . 0.742 HD13 HD23 ' C' ' 25' ' ' LEU . 0.4 OUTLIER -117.3 31.84 6.5 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.744 -0.662 . . . . 0.0 112.747 -177.539 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' D' D ' 103' ' ' THR . . . . . 0.657 HG23 HD12 ' D' ' 102' ' ' LEU . 31.0 p -150.36 -31.34 0.19 Allowed 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.67 179.465 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 2.6 t70 66.53 28.34 9.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.099 0.476 . . . . 0.0 110.16 -179.438 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 105' ' ' SER . . . . . 0.441 ' HB2' ' CZ ' ' C' ' 21' ' ' TYR . 1.2 p -48.14 -81.02 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.022 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 106' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 165.56 107.33 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.177 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 107' ' ' GLU . . . . . 0.681 ' HA ' HD12 ' D' ' 110' ' ' LEU . 10.2 pt-20 -48.35 -37.73 17.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.842 0.353 . . . . 0.0 110.88 -179.66 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.07 -49.0 77.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.091 0.472 . . . . 0.0 109.914 179.246 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 109' ' ' ASP . . . . . 0.728 ' O ' HD12 ' D' ' 113' ' ' LEU . 2.7 m-20 -65.82 -33.36 75.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.884 179.042 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 110' ' ' LEU . . . . . 0.793 HD11 ' HB2' ' D' ' 100' ' ' HIS . 99.6 mt -63.36 -43.74 96.78 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.745 -0.662 . . . . 0.0 109.977 179.289 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 111' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.1 -41.23 97.99 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.359 179.62 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 112' ' ' PHE . . . . . 0.482 ' O ' HG23 ' D' ' 116' ' ' VAL . 1.1 t80 -58.5 -40.95 84.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.22 179.479 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 113' ' ' LEU . . . . . 0.728 HD12 ' O ' ' D' ' 109' ' ' ASP . 0.5 OUTLIER -73.22 -34.09 65.72 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.61 179.824 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' D' D ' 114' ' ' HIS . . . . . 0.914 ' CD2' HD12 ' D' ' 96' ' ' LEU . 37.7 m170 -57.79 -33.41 68.52 Favored 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 177.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 115' ' ' SER . . . . . 0.425 ' HA ' ' HB2' ' D' ' 118' ' ' GLN . 2.8 m -74.54 -39.62 62.22 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.136 178.81 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 116' ' ' VAL . . . . . 0.825 ' O ' HD22 ' D' ' 122' ' ' LEU . 53.1 t -58.03 -22.99 20.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.232 -0.894 . . . . 0.0 110.003 178.371 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 117' ' ' PHE . . . . . 0.785 ' CD1' HG13 ' D' ' 89' ' ' VAL . 32.0 m-85 -106.49 -30.95 8.76 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.583 -179.465 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 118' ' ' GLN . . . . . 0.654 HE22 ' HB3' ' D' ' 114' ' ' HIS . 0.0 OUTLIER -61.42 -32.88 72.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.359 -179.207 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -47.24 123.17 5.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.379 -179.681 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 120' ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -68.58 -44.43 74.41 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.795 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 121' ' ' HIS . . . . . 0.488 ' HB3' ' NE2' ' C' ' 56' ' ' GLN . 8.0 m-70 -55.74 -33.38 64.22 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.704 179.67 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 122' ' ' LEU . . . . . 0.837 HD12 HD12 ' D' ' 125' ' ' LEU . 37.2 tp -55.46 -48.53 74.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.651 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 123' ' ' HIS . . . . . 0.982 ' HA ' HD12 ' D' ' 126' ' ' LEU . 0.0 OUTLIER -53.64 -25.16 16.56 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.013 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' D' D ' 124' ' ' THR . . . . . 0.666 HG21 HG23 ' C' ' 61' ' ' VAL . 1.3 m -77.63 -35.28 52.81 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.532 178.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 125' ' ' LEU . . . . . 0.837 HD12 HD12 ' D' ' 122' ' ' LEU . 7.9 mt -72.7 -31.58 65.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.665 178.618 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 126' ' ' LEU . . . . . 0.982 HD12 ' HA ' ' D' ' 123' ' ' HIS . 3.9 mt -73.54 -49.99 23.66 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.599 -179.594 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 127' ' ' ASP . . . . . 0.438 ' OD1' ' N ' ' D' ' 128' ' ' LEU . 6.4 p30 -67.84 -33.77 75.41 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.243 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 128' ' ' LEU . . . . . 0.848 HD21 ' CD2' ' A' ' 59' ' ' TYR . 46.6 mt -75.19 -34.16 61.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.07 0.462 . . . . 0.0 110.478 179.715 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 129' ' ' TYR . . . . . 0.722 ' CE2' HG23 ' C' ' 43' ' ' ILE . 0.2 OUTLIER -62.55 -50.67 70.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.866 -179.571 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' D' D ' 130' ' ' ASP . . . . . 0.417 ' HB3' ' HB2' ' D' ' 82' ' ' LEU . 1.4 t70 -75.27 -27.78 59.53 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.736 -0.386 . . . . 0.0 111.261 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 131' ' ' LYS . . . . . . . . . . . . . 10.4 tttm -58.68 -53.58 56.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.85 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 132' ' ' ILE . . . . . 0.634 ' HB ' HD21 ' C' ' 48' ' ' LEU . 4.0 mt -72.64 -37.44 56.12 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.294 0 CA-C-O 121.079 0.466 . . . . 0.0 110.425 179.623 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 133' ' ' ASN . . . . . 0.447 ' HB2' HD23 ' C' ' 48' ' ' LEU . 39.4 t-20 . . . . . 0 N--CA 1.453 -0.314 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.631 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.475 ' HD3' HG22 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -63.3 -39.64 95.13 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 121.249 0.547 . . . . 0.0 109.725 179.147 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -76.84 -28.4 55.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.151 179.107 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.804 ' HB3' HG22 ' B' ' 116' ' ' VAL . 0.8 OUTLIER -79.19 -29.89 43.14 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.434 179.636 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.58 HG22 ' CE1' ' A' ' 44' ' ' PHE . 1.5 p -74.12 -43.84 56.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.46 179.581 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.474 ' HA ' HD23 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -69.79 -38.31 76.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.22 179.683 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -74.88 -24.47 58.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.101 179.022 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.906 ' CB ' HG11 ' B' ' 116' ' ' VAL . . . -78.63 -51.47 9.84 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.796 179.144 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.773 ' O ' HD12 ' A' ' 41' ' ' ILE . 0.4 OUTLIER -64.81 -28.71 69.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.888 179.734 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 55.4 t60 -73.49 -44.54 57.65 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 179.073 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.91 HD22 ' CE1' ' A' ' 21' ' ' TYR . 1.3 mt -61.66 -46.57 89.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.936 179.143 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.693 ' HB3' HG23 ' A' ' 37' ' ' ILE . 11.6 mt -59.28 -37.24 77.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.614 179.639 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.447 ' CG ' HG21 ' A' ' 41' ' ' ILE . 9.6 mt-10 -59.9 -48.2 82.66 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.292 0.568 . . . . 0.0 110.443 179.374 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.63 -31.12 70.92 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.468 178.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.91 ' CE1' HD22 ' A' ' 17' ' ' LEU . 7.2 m-30 -67.16 -49.07 66.05 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.769 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.476 ' HA ' HD12 ' A' ' 37' ' ' ILE . 6.2 ptm180 -58.9 -32.64 69.71 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 178.506 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.5 p -58.07 -54.7 44.02 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.912 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.724 ' HZ3' ' HA ' ' A' ' 21' ' ' TYR . 0.0 OUTLIER -100.06 6.35 45.01 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.109 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.962 HD12 HD11 ' A' ' 37' ' ' ILE . 0.0 OUTLIER -93.35 -58.81 2.19 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.59 0.233 . . . . 0.0 111.214 179.583 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.495 ' HB2' ' HB2' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -69.92 -16.06 63.16 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.027 0.38 . . . . 0.0 112.027 -178.852 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.419 ' OE1' ' NH1' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -75.2 57.99 0.9 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.98 0.419 . . . . 0.0 110.802 -179.907 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.622 HG23 ' N ' ' A' ' 29' ' ' GLU . 7.6 t -174.67 -58.49 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.799 -179.66 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.622 ' N ' HG23 ' A' ' 28' ' ' THR . 12.0 pt-20 -171.0 29.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.06 -0.518 . . . . 0.0 112.307 -178.847 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.552 ' HB2' HD22 ' A' ' 25' ' ' LEU . 2.6 m-20 -139.18 43.46 2.04 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.773 0.32 . . . . 0.0 111.53 -179.788 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.419 ' NH1' ' OE1' ' A' ' 27' ' ' GLN . 8.6 mmm180 -54.9 -46.21 74.8 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.289 0.566 . . . . 0.0 110.182 179.383 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -56.76 -46.43 81.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.762 -0.653 . . . . 0.0 109.661 178.756 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.657 HD21 ' HB3' ' B' ' 95' ' ' SER . 5.4 tp -55.96 -30.77 62.22 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.763 178.828 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.495 ' HB2' ' HB2' ' A' ' 26' ' ' SER . 0.2 OUTLIER -60.67 -49.85 75.86 Favored 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 178.579 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.6 t -54.7 -35.47 63.67 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.797 178.683 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.509 ' HB2' HG22 ' B' ' 92' ' ' VAL . 1.1 m -65.57 -51.67 58.06 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.079 178.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.962 HD11 HD12 ' A' ' 25' ' ' LEU . 66.4 mt -57.01 -44.03 82.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.756 179.028 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.64 -42.37 71.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.481 -0.782 . . . . 0.0 110.757 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.504 ' HB2' ' HB1' ' B' ' 88' ' ' ALA . 3.5 mtt180 -56.08 -52.63 63.6 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-O 121.269 0.557 . . . . 0.0 109.929 179.109 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.738 HG12 ' CD2' ' A' ' 44' ' ' PHE . 3.7 t -60.29 -32.83 51.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.256 -0.883 . . . . 0.0 110.644 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.773 HD12 ' O ' ' A' ' 15' ' ' LEU . 4.7 mm -70.94 -53.1 22.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.575 179.793 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.9 p -63.26 -48.45 78.15 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-O 120.946 0.403 . . . . 0.0 110.689 -179.435 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 7.1 mt -59.71 -33.28 51.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.119 179.215 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.738 ' CD2' HG12 ' A' ' 40' ' ' VAL . 0.3 OUTLIER -72.33 -56.17 5.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.945 -0.57 . . . . 0.0 112.121 179.648 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -82.39 4.29 24.64 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 -178.17 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 p -50.39 173.6 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.71 0.29 . . . . 0.0 110.605 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -87.24 -38.16 16.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.849 0.357 . . . . 0.0 111.197 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.806 ' O ' HD12 ' A' ' 48' ' ' LEU . 1.4 tp -79.68 -43.94 21.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.682 -179.574 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.402 ' CE1' ' HB2' ' B' ' 125' ' ' LEU . 28.4 t80 -50.98 -56.28 13.2 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.609 0.242 . . . . 0.0 111.403 -179.356 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -53.94 -37.29 63.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.812 0.339 . . . . 0.0 110.579 179.759 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.556 ' CB ' HG23 ' D' ' 132' ' ' ILE . . . -58.87 -47.31 85.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.404 179.504 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.416 HD13 ' O ' ' B' ' 125' ' ' LEU . 2.3 mt -59.05 -45.65 90.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.305 179.418 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.88 HG12 HD13 ' B' ' 125' ' ' LEU . 28.5 mt -56.17 -34.0 38.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.724 179.707 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -73.17 -34.76 66.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.316 179.393 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.837 HG22 ' HB2' ' A' ' 59' ' ' TYR . 90.1 mt -65.67 -41.83 91.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.774 179.732 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.782 ' NE2' HD21 ' B' ' 125' ' ' LEU . 2.3 tt0 -52.26 -23.72 6.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.524 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.403 ' O ' ' CD2' ' A' ' 58' ' ' PHE . 34.1 mt-10 -47.48 -30.04 3.15 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.706 0.289 . . . . 0.0 111.246 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.403 ' CD2' ' O ' ' A' ' 57' ' ' GLU . 61.6 m-85 -157.54 26.91 0.29 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.425 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.868 ' CD2' HD21 ' D' ' 128' ' ' LEU . 26.4 m-85 -135.41 74.51 1.52 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.585 179.612 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -62.55 95.9 0.08 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.828 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.475 HG23 HG21 ' B' ' 124' ' ' THR . 0.0 OUTLIER -72.83 96.81 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.973 0.416 . . . . 0.0 110.648 179.86 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.2 m -77.82 120.28 22.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.809 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.751 HD11 ' CE2' ' C' ' 59' ' ' TYR . 0.0 OUTLIER -92.16 126.11 37.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.418 179.494 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.638 HD23 ' N ' ' A' ' 64' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.515 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.005 -179.712 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 82' ' ' LEU . . . . . 0.763 ' O ' HD23 ' B' ' 82' ' ' LEU . 8.8 tt . . . . . 0 N--CA 1.45 -0.443 0 CA-C-O 121.21 0.529 . . . . 0.0 110.044 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 83' ' ' LEU . . . . . 0.984 HD23 ' H ' ' B' ' 84' ' ' ALA . 0.7 OUTLIER -76.19 -40.36 52.57 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.286 -179.489 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 0.984 ' H ' HD23 ' B' ' 83' ' ' LEU . . . -81.98 -20.95 37.47 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.551 -0.75 . . . . 0.0 112.5 -178.23 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 85' ' ' ALA . . . . . 0.907 ' HB1' ' HB3' ' B' ' 126' ' ' LEU . . . -52.31 -23.25 5.5 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.213 -0.595 . . . . 0.0 110.092 179.63 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.12 -38.31 2.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.888 178.581 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 87' ' ' ARG . . . . . 0.685 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 38.8 ttt85 -67.42 -43.02 82.23 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.593 179.397 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 88' ' ' ALA . . . . . 0.957 ' HB2' ' HB1' ' B' ' 84' ' ' ALA . . . -70.05 -40.46 75.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.897 -179.757 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 89' ' ' VAL . . . . . 0.592 HG12 ' HB3' ' B' ' 117' ' ' PHE . 39.3 t -70.76 -37.99 71.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.546 179.523 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 13.8 t -76.2 -40.92 51.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.385 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 91' ' ' GLN . . . . . 0.444 ' NE2' ' HA ' ' B' ' 88' ' ' ALA . 6.2 pt20 -66.02 -49.38 67.94 Favored 'General case' 0 CA--C 1.52 -0.196 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 92' ' ' VAL . . . . . 0.64 HG23 ' O ' ' B' ' 88' ' ' ALA . 51.3 t -66.29 -27.83 41.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.426 177.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 93' ' ' LEU . . . . . 0.736 HD21 ' HA ' ' B' ' 114' ' ' HIS . 1.7 mt -61.17 -43.53 98.74 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.133 179.451 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -78.13 -27.29 48.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.987 -179.631 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 95' ' ' SER . . . . . 0.657 ' HB3' HD21 ' A' ' 33' ' ' LEU . 6.8 m -79.63 -24.58 41.81 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.616 -179.612 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 96' ' ' LEU . . . . . 0.913 HD22 HD22 ' B' ' 110' ' ' LEU . 0.2 OUTLIER -38.84 -52.32 1.74 Allowed 'General case' 0 N--CA 1.464 0.275 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 -179.379 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 -68.87 -28.48 66.74 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.174 -179.269 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 98' ' ' GLU . . . . . 0.761 ' O ' ' HB3' ' B' ' 101' ' ' ALA . 0.2 OUTLIER -70.08 -36.65 75.08 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.842 -1.17 . . . . 0.0 107.842 177.605 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 99' ' ' ILE . . . . . 0.583 ' O ' HG23 ' B' ' 103' ' ' THR . 38.9 mt -59.09 -47.43 90.1 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.675 0 CA-C-N 114.39 -1.277 . . . . 0.0 109.861 178.264 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 100' ' ' HIS . . . . . 0.888 ' HB2' HD11 ' B' ' 110' ' ' LEU . 0.2 OUTLIER -60.36 -33.87 73.05 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 178.414 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 101' ' ' ALA . . . . . 0.761 ' HB3' ' O ' ' B' ' 98' ' ' GLU . . . -57.26 -41.64 80.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.599 -1.182 . . . . 0.0 112.041 179.611 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 102' ' ' LEU . . . . . 0.772 HD13 HD23 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -119.22 30.62 7.03 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -177.244 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 103' ' ' THR . . . . . 0.61 HG23 HD12 ' B' ' 102' ' ' LEU . 32.4 p -146.37 -36.15 0.26 Allowed 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.896 -0.321 . . . . 0.0 111.387 179.598 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 2.0 t0 73.72 27.34 1.75 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.986 0.422 . . . . 0.0 110.474 -179.393 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 1.9 m -52.19 -78.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.896 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 168.42 108.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.406 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -48.58 -32.6 8.36 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.726 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 4.7 tptt -67.1 -44.36 80.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.91 179.152 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 109' ' ' ASP . . . . . 0.729 ' O ' HD12 ' B' ' 113' ' ' LEU . 7.1 m-20 -65.74 -34.17 77.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.053 179.159 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 110' ' ' LEU . . . . . 0.913 HD22 HD22 ' B' ' 96' ' ' LEU . 14.0 mt -63.94 -45.5 88.9 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.223 179.403 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.77 -39.87 90.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.51 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 112' ' ' PHE . . . . . 0.519 ' O ' HG23 ' B' ' 116' ' ' VAL . 0.6 OUTLIER -60.49 -44.64 95.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.7 179.825 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 113' ' ' LEU . . . . . 0.734 HD11 ' CD1' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -70.58 -31.97 69.18 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.164 -179.639 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 114' ' ' HIS . . . . . 0.736 ' HA ' HD21 ' B' ' 93' ' ' LEU . 0.0 OUTLIER -62.25 -37.95 87.41 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 178.784 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 3.0 m -71.83 -35.78 70.0 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 178.146 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 116' ' ' VAL . . . . . 0.906 HG11 ' CB ' ' A' ' 14' ' ' ALA . 41.7 t -64.41 -23.12 32.67 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 CA-C-N 115.189 -0.914 . . . . 0.0 109.629 178.001 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 117' ' ' PHE . . . . . 0.592 ' HB3' HG12 ' B' ' 89' ' ' VAL . 7.4 m-30 -104.19 -22.54 13.38 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.699 -179.634 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 118' ' ' GLN . . . . . 0.425 ' HB2' ' O ' ' B' ' 114' ' ' HIS . 0.7 OUTLIER -77.94 -32.56 51.6 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.695 0.283 . . . . 0.0 111.39 -179.463 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -41.59 118.42 1.07 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.836 -179.258 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.85 -41.37 91.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.514 179.734 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 31.6 m-70 -55.51 -33.51 63.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.335 179.428 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 122' ' ' LEU . . . . . 0.845 HD22 ' O ' ' B' ' 116' ' ' VAL . 36.8 tp -55.93 -48.99 74.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.062 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 123' ' ' HIS . . . . . 0.938 ' HA ' HD12 ' B' ' 126' ' ' LEU . 0.7 OUTLIER -56.78 -26.02 56.67 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.928 0.394 . . . . 0.0 110.094 179.515 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 124' ' ' THR . . . . . 0.475 HG21 HG23 ' A' ' 61' ' ' VAL . 2.7 m -72.89 -37.45 67.27 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 178.785 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 125' ' ' LEU . . . . . 0.88 HD13 HG12 ' A' ' 53' ' ' ILE . 2.4 mt -72.62 -32.75 66.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.438 178.448 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 126' ' ' LEU . . . . . 0.938 HD12 ' HA ' ' B' ' 123' ' ' HIS . 10.5 mt -72.22 -48.71 40.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.935 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -62.87 -53.29 56.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.059 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 128' ' ' LEU . . . . . 0.869 HD21 ' CD2' ' C' ' 59' ' ' TYR . 19.0 mt -61.28 -37.33 82.79 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.748 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 129' ' ' TYR . . . . . 0.522 ' O ' HD23 ' A' ' 48' ' ' LEU . 3.4 t80 -55.92 -51.03 69.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.7 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 130' ' ' ASP . . . . . 0.501 ' CG ' ' HA ' ' B' ' 82' ' ' LEU . 10.2 m-20 -76.09 -33.81 59.51 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.291 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.94 -53.91 49.46 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.064 -179.735 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 132' ' ' ILE . . . . . 0.81 HG21 HD13 ' C' ' 48' ' ' LEU . 2.3 mt -73.4 -38.76 53.95 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.425 0 CA-C-O 121.048 0.451 . . . . 0.0 110.685 179.644 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 133' ' ' ASN . . . . . 0.462 ' HB2' HD23 ' A' ' 48' ' ' LEU . 20.7 t-20 -59.91 -29.53 68.42 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.88 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 134' ' ' THR . . . . . 0.537 HG22 ' O ' ' B' ' 134' ' ' THR . 85.5 m -89.72 3.5 52.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.323 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 1.8 mmtt 76.55 -0.16 3.09 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.64 -0.254 . . . . 0.0 111.494 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--N 1.328 -0.344 0 CA-C-O 120.815 0.34 . . . . 0.0 110.754 -179.993 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' C' C ' 7' ' ' ARG . . . . . 0.474 ' HA ' ' OD2' ' C' ' 10' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 110.217 -0.29 . . . . 0.0 110.217 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.51 -33.24 74.5 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-O 120.989 0.423 . . . . 0.0 110.148 179.177 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 16.9 mm100 -77.24 -32.53 55.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.698 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 10' ' ' ASP . . . . . 0.478 ' OD1' ' N ' ' C' ' 11' ' ' THR . 11.1 p30 -80.96 -28.25 35.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.115 0.483 . . . . 0.0 109.877 179.15 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 11' ' ' THR . . . . . 0.642 HG23 ' CE2' ' C' ' 44' ' ' PHE . 65.1 m -68.93 -47.05 66.7 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.184 179.256 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.45 -46.71 72.27 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-O 120.971 0.415 . . . . 0.0 110.27 179.345 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 16.8 tpp85 -64.24 -24.03 67.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.174 179.187 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 14' ' ' ALA . . . . . 0.77 ' CB ' HG11 ' D' ' 116' ' ' VAL . . . -78.19 -55.99 4.82 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 179.094 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 15' ' ' LEU . . . . . 0.836 ' HA ' HD12 ' C' ' 18' ' ' LEU . 0.4 OUTLIER -63.84 -28.16 69.67 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.468 178.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' C' C ' 16' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -67.43 -46.66 72.49 Favored 'General case' 0 CA--C 1.517 -0.322 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 178.422 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 17' ' ' LEU . . . . . 0.931 HD22 ' CZ ' ' C' ' 21' ' ' TYR . 2.4 mt -63.96 -35.14 79.7 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.183 178.272 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 18' ' ' LEU . . . . . 0.836 HD12 ' HA ' ' C' ' 15' ' ' LEU . 36.4 mt -63.81 -44.24 93.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.484 179.375 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.54 -38.58 84.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.792 -179.745 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -75.76 -34.54 60.26 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.45 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 21' ' ' TYR . . . . . 0.931 ' CZ ' HD22 ' C' ' 17' ' ' LEU . 18.7 m-85 -69.84 -47.67 61.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.563 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 22' ' ' ARG . . . . . 0.445 ' HB2' ' HG3' ' C' ' 34' ' ' ARG . 20.9 ptt85 -58.69 -48.1 82.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.344 179.478 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 40.5 t -54.84 -40.67 69.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.823 179.483 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 24' ' ' LYS . . . . . . . . . . . . . 8.8 ptmt -96.88 6.26 48.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.606 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 25' ' ' LEU . . . . . 0.796 HD11 HG12 ' D' ' 99' ' ' ILE . 0.2 OUTLIER -91.85 -56.8 2.95 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -179.174 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' C' C ' 26' ' ' SER . . . . . 0.68 ' HB2' ' HD2' ' C' ' 31' ' ' ARG . 80.9 p -63.75 -28.37 69.83 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.181 -0.463 . . . . 0.0 112.179 -178.387 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 27' ' ' GLN . . . . . 0.441 ' OE1' ' NH1' ' C' ' 31' ' ' ARG . 0.3 OUTLIER -70.48 56.4 0.17 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.972 0.415 . . . . 0.0 111.57 -178.802 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' C' C ' 28' ' ' THR . . . . . 0.671 HG23 ' H ' ' C' ' 29' ' ' GLU . 9.1 t -177.23 -61.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.511 179.454 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 29' ' ' GLU . . . . . 0.671 ' H ' HG23 ' C' ' 28' ' ' THR . 12.8 pt-20 -177.63 28.76 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.565 -179.387 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 30' ' ' ASP . . . . . 0.491 ' HB2' HD22 ' C' ' 25' ' ' LEU . 4.2 m-20 -136.69 49.55 2.06 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.915 0.388 . . . . 0.0 110.405 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 31' ' ' ARG . . . . . 0.68 ' HD2' ' HB2' ' C' ' 26' ' ' SER . 14.1 mmm180 -65.59 -47.35 76.05 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.456 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -59.45 -45.75 90.72 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.21 0.529 . . . . 0.0 109.776 178.753 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 33' ' ' LEU . . . . . 0.808 HD11 ' OG ' ' D' ' 95' ' ' SER . 13.2 tp -58.61 -32.22 68.79 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.325 179.269 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 34' ' ' ARG . . . . . 0.63 ' HB2' ' HB3' ' C' ' 26' ' ' SER . 9.6 ttt180 -63.39 -38.95 93.11 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.798 -0.815 . . . . 0.0 108.798 178.442 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 21.0 t -59.89 -40.63 89.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.31 178.804 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 36' ' ' SER . . . . . 0.6 ' HB3' ' NE2' ' D' ' 91' ' ' GLN . 0.1 OUTLIER -64.33 -51.27 64.24 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.103 0.478 . . . . 0.0 110.247 179.38 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' C' C ' 37' ' ' ILE . . . . . 0.792 ' CD1' HD12 ' C' ' 25' ' ' LEU . 58.4 mt -57.62 -37.47 58.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.392 0.615 . . . . 0.0 109.736 178.618 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -61.4 -52.24 65.42 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.012 -0.994 . . . . 0.0 112.733 -179.08 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 39' ' ' ARG . . . . . 0.528 ' HG2' ' O ' ' C' ' 36' ' ' SER . 6.9 ptp180 -58.45 -39.54 80.15 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.12 -0.632 . . . . 0.0 110.394 -179.359 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 40' ' ' VAL . . . . . 0.442 HG21 HG21 ' D' ' 92' ' ' VAL . 61.8 t -60.76 -36.15 69.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 121.036 0.446 . . . . 0.0 109.88 178.065 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 41' ' ' ILE . . . . . 0.716 HG12 ' O ' ' C' ' 37' ' ' ILE . 19.3 mm -61.27 -61.62 1.5 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.695 179.788 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 11.7 t -52.62 -46.66 67.12 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-O 121.113 0.482 . . . . 0.0 110.646 -179.21 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 43' ' ' ILE . . . . . 0.659 HG21 HD23 ' D' ' 126' ' ' LEU . 5.5 mt -61.06 -34.14 58.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.007 179.061 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 44' ' ' PHE . . . . . 0.807 ' HB3' HD22 ' C' ' 15' ' ' LEU . 1.3 m-85 -72.33 -56.52 5.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.931 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 45' ' ' GLN . . . . . 0.402 ' HG2' ' O ' ' C' ' 41' ' ' ILE . 19.5 pt20 -79.77 0.25 31.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.846 -179.16 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 46' ' ' SER . . . . . 0.414 ' OG ' ' CZ ' ' D' ' 129' ' ' TYR . 0.3 OUTLIER -51.81 139.48 21.59 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.83 0.348 . . . . 0.0 110.995 -179.872 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.03 -37.72 74.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.409 -179.563 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 48' ' ' LEU . . . . . 0.81 HD13 HG21 ' B' ' 132' ' ' ILE . 3.1 tp -79.09 -41.81 27.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.267 -179.631 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 49' ' ' PHE . . . . . 0.429 ' CE1' ' HB2' ' D' ' 125' ' ' LEU . 75.9 t80 -51.21 -53.66 32.91 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.836 0.351 . . . . 0.0 111.14 -179.735 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -57.6 -37.05 72.59 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.511 179.621 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.71 -42.3 88.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.168 179.438 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 52' ' ' LEU . . . . . 0.549 HD21 ' HB3' ' D' ' 128' ' ' LEU . 0.9 OUTLIER -62.28 -43.69 98.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.956 179.058 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 18.7 mt -53.16 -40.86 40.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.499 179.372 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -68.55 -36.38 78.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.339 179.23 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 55' ' ' ILE . . . . . 0.65 HG22 ' HB2' ' C' ' 59' ' ' TYR . 76.1 mt -60.51 -44.1 95.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.632 179.508 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 56' ' ' GLN . . . . . 0.525 ' CD ' HD21 ' D' ' 125' ' ' LEU . 5.6 mt-30 -53.07 -23.55 7.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.502 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 57' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -47.27 -31.0 3.42 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.431 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 58' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -157.36 24.23 0.3 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.65 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 59' ' ' TYR . . . . . 0.869 ' CD2' HD21 ' B' ' 128' ' ' LEU . 16.8 m-85 -134.16 73.83 1.51 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.812 0.339 . . . . 0.0 110.724 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -61.62 98.81 0.1 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.795 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 61' ' ' VAL . . . . . 0.471 HG11 HD11 ' D' ' 128' ' ' LEU . 0.0 OUTLIER -72.77 100.14 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.885 0.374 . . . . 0.0 111.057 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' C' C ' 62' ' ' THR . . . . . . . . . . . . . 4.3 m -84.71 117.0 23.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.585 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 63' ' ' LEU . . . . . 0.546 HD11 ' CZ ' ' A' ' 59' ' ' TYR . 0.1 OUTLIER -91.82 129.66 37.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' C' C ' 64' ' ' LEU . . . . . 0.712 ' N ' HD23 ' C' ' 64' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.011 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 82' ' ' LEU . . . . . 0.736 HD21 ' HG2' ' D' ' 131' ' ' LYS . 1.1 mp . . . . . 0 CA--C 1.52 -0.186 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 83' ' ' LEU . . . . . 0.806 HD23 ' H ' ' D' ' 84' ' ' ALA . 0.7 OUTLIER -59.94 -36.6 77.42 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 114.817 -1.083 . . . . 0.0 110.462 179.398 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' D' D ' 84' ' ' ALA . . . . . 0.946 ' HB1' ' HB2' ' D' ' 88' ' ' ALA . . . -115.31 2.01 13.89 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.303 -0.862 . . . . 0.0 112.653 -177.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 85' ' ' ALA . . . . . 0.905 ' HB1' ' HB2' ' D' ' 126' ' ' LEU . . . -53.17 -26.11 16.07 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 177.843 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 86' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -118.72 -37.13 3.32 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 114.683 -1.144 . . . . 0.0 109.039 177.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 87' ' ' ARG . . . . . 0.792 ' HB2' ' HA ' ' D' ' 84' ' ' ALA . 0.1 OUTLIER -60.85 -57.1 14.08 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.043 178.896 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' D' D ' 88' ' ' ALA . . . . . 0.946 ' HB2' ' HB1' ' D' ' 84' ' ' ALA . . . -56.58 -42.36 78.52 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.697 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 89' ' ' VAL . . . . . 0.701 HG13 ' CD1' ' D' ' 117' ' ' PHE . 34.2 t -64.11 -32.48 57.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.104 179.065 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 8.5 p -76.45 -26.77 55.78 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.91 179.46 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 91' ' ' GLN . . . . . 0.656 ' HG3' ' O ' ' D' ' 87' ' ' ARG . 9.0 mt-30 -65.87 -55.02 19.19 Favored 'General case' 0 CA--C 1.513 -0.472 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 179.112 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 92' ' ' VAL . . . . . 0.764 HG11 ' CD2' ' C' ' 18' ' ' LEU . 3.5 t -66.07 -28.46 43.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.036 -0.983 . . . . 0.0 110.239 179.436 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 93' ' ' LEU . . . . . 0.589 HD21 ' HA ' ' D' ' 114' ' ' HIS . 1.2 mt -73.47 -26.78 61.07 Favored 'General case' 0 C--O 1.23 0.077 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.301 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -87.14 -43.55 12.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.858 0.361 . . . . 0.0 110.859 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 95' ' ' SER . . . . . 0.808 ' OG ' HD11 ' C' ' 33' ' ' LEU . 8.9 p -80.07 -13.18 59.5 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.899 -179.667 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 96' ' ' LEU . . . . . 0.869 HD22 HD22 ' D' ' 110' ' ' LEU . 0.2 OUTLIER -40.4 -52.24 2.75 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -179.178 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -68.69 -28.11 66.56 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.126 -179.345 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 98' ' ' GLU . . . . . 0.794 ' OE2' HD21 ' D' ' 102' ' ' LEU . 0.0 OUTLIER -70.96 -36.16 72.45 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.861 -1.162 . . . . 0.0 107.861 178.118 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' D' D ' 99' ' ' ILE . . . . . 0.796 HG12 HD11 ' C' ' 25' ' ' LEU . 72.4 mt -59.24 -49.21 84.27 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.683 0 CA-C-N 114.6 -1.182 . . . . 0.0 109.646 178.364 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 100' ' ' HIS . . . . . 0.806 ' HB2' HD11 ' D' ' 110' ' ' LEU . 0.2 OUTLIER -57.51 -35.98 70.95 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 178.652 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' D' D ' 101' ' ' ALA . . . . . 0.768 ' HB3' ' O ' ' D' ' 98' ' ' GLU . . . -54.69 -43.58 72.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 114.471 -1.24 . . . . 0.0 111.945 179.446 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 102' ' ' LEU . . . . . 0.794 HD21 ' OE2' ' D' ' 98' ' ' GLU . 0.3 OUTLIER -118.18 31.77 6.51 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.673 -0.694 . . . . 0.0 112.628 -177.497 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' D' D ' 103' ' ' THR . . . . . 0.63 HG23 HD12 ' D' ' 102' ' ' LEU . 35.1 p -148.71 -29.16 0.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 4.5 t70 75.84 21.8 1.57 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.171 0.51 . . . . 0.0 110.497 -179.259 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 105' ' ' SER . . . . . 0.461 ' CB ' ' CE1' ' C' ' 21' ' ' TYR . 37.4 p -56.73 -22.9 38.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.012 179.476 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 106' ' ' SER . . . . . . . . . . . . . 1.1 t 80.35 123.51 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.437 -179.619 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -51.84 -24.18 5.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.198 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 30.5 mmtm -60.05 -55.31 35.5 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.979 0.418 . . . . 0.0 110.235 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 109' ' ' ASP . . . . . 0.659 ' O ' HD12 ' D' ' 113' ' ' LEU . 6.9 m-20 -63.22 -34.6 78.01 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.774 179.03 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 110' ' ' LEU . . . . . 0.869 HD22 HD22 ' D' ' 96' ' ' LEU . 46.8 mt -64.98 -42.54 94.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.287 179.296 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 111' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.3 -44.83 92.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.638 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 112' ' ' PHE . . . . . 0.409 ' O ' HG23 ' D' ' 116' ' ' VAL . 0.4 OUTLIER -58.98 -47.3 85.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.389 179.751 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' D' D ' 113' ' ' LEU . . . . . 0.691 HD11 ' CD1' ' C' ' 17' ' ' LEU . 0.5 OUTLIER -69.28 -33.88 73.87 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.179 179.687 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' D' D ' 114' ' ' HIS . . . . . 0.589 ' HA ' HD21 ' D' ' 93' ' ' LEU . 2.5 m80 -54.99 -40.16 69.81 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 178.703 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 115' ' ' SER . . . . . 0.477 ' HA ' ' HB2' ' D' ' 118' ' ' GLN . 8.4 p -73.48 -36.81 65.86 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.617 178.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 116' ' ' VAL . . . . . 0.823 ' O ' HD22 ' D' ' 122' ' ' LEU . 40.9 t -56.43 -24.78 19.33 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.135 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.645 178.586 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 117' ' ' PHE . . . . . 0.811 ' HZ ' HD11 ' C' ' 18' ' ' LEU . 50.9 m-85 -105.53 -19.97 13.62 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.106 179.782 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 118' ' ' GLN . . . . . 0.477 ' HB2' ' HA ' ' D' ' 115' ' ' SER . 4.2 mm100 -62.44 -41.35 98.67 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.944 0.402 . . . . 0.0 110.551 179.619 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -45.32 133.3 7.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.945 -179.091 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 120' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -77.03 -42.24 39.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.259 179.425 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 121' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -55.73 -33.43 64.23 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.426 179.323 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 122' ' ' LEU . . . . . 0.908 ' O ' HD12 ' D' ' 126' ' ' LEU . 25.0 tp -55.66 -50.05 71.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.047 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 123' ' ' HIS . . . . . 0.451 ' HA ' HD13 ' D' ' 126' ' ' LEU . 0.0 OUTLIER -52.1 -26.74 11.86 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.225 179.026 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' D' D ' 124' ' ' THR . . . . . . . . . . . . . 7.1 m -75.7 -35.34 60.32 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.734 179.232 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 125' ' ' LEU . . . . . 0.525 HD21 ' CD ' ' C' ' 56' ' ' GLN . 16.4 mt -63.36 -45.19 92.3 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.684 179.518 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 126' ' ' LEU . . . . . 0.908 HD12 ' O ' ' D' ' 122' ' ' LEU . 3.3 mp -67.81 -45.47 74.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.168 -179.71 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 127' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -63.37 -49.0 75.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.214 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 128' ' ' LEU . . . . . 0.868 HD21 ' CD2' ' A' ' 59' ' ' TYR . 76.6 mt -60.92 -46.7 89.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.92 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 129' ' ' TYR . . . . . 0.483 ' O ' HD23 ' C' ' 48' ' ' LEU . 0.1 OUTLIER -58.39 -50.74 72.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.154 -179.627 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' D' D ' 130' ' ' ASP . . . . . 0.405 ' OD1' ' CE2' ' D' ' 129' ' ' TYR . 47.3 m-20 -74.04 -17.0 61.03 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.168 -179.754 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 131' ' ' LYS . . . . . 0.736 ' HG2' HD21 ' D' ' 82' ' ' LEU . 0.2 OUTLIER -75.1 -46.14 36.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.909 0.385 . . . . 0.0 110.473 179.422 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' D' D ' 132' ' ' ILE . . . . . 0.556 HG23 ' CB ' ' A' ' 51' ' ' ALA . 2.8 mt -75.47 -35.34 32.17 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.899 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 133' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 . . . . . 0 C--N 1.326 -0.43 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.543 -179.417 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.196 0 CA-C-O 120.35 0.119 . . . . 0.0 110.698 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -66.19 -35.78 81.34 Favored 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 109.597 -0.519 . . . . 0.0 109.597 179.17 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -74.75 -26.03 59.5 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.629 178.65 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.697 ' HB3' HG22 ' B' ' 116' ' ' VAL . 37.1 m-20 -83.31 -34.37 25.72 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.328 179.302 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.575 HG22 ' HE1' ' A' ' 44' ' ' PHE . 1.4 p -74.28 -36.42 63.8 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.961 179.303 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.5 ' O ' ' HB2' ' A' ' 16' ' ' HIS . 0.7 OUTLIER -72.86 -46.65 51.72 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.199 179.288 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 -67.82 -23.08 65.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.183 179.207 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.772 ' CB ' HG11 ' B' ' 116' ' ' VAL . . . -78.49 -52.16 8.93 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.05 179.315 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.82 HD22 ' HB3' ' A' ' 44' ' ' PHE . 0.6 OUTLIER -68.49 -24.67 64.71 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.121 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.5 ' HB2' ' O ' ' A' ' 12' ' ' GLN . 1.9 t-160 -73.31 -50.82 20.07 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 178.139 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.891 HD22 ' CE1' ' A' ' 21' ' ' TYR . 0.9 OUTLIER -55.66 -37.63 68.53 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 121.764 0.792 . . . . 0.0 109.01 178.096 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 1.031 HD22 HG23 ' A' ' 37' ' ' ILE . 32.9 mt -61.17 -48.53 81.16 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.474 -1.239 . . . . 0.0 110.798 179.468 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.468 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 0.4 OUTLIER -57.37 -33.65 68.03 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.798 -179.912 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -76.8 -39.51 51.24 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.114 179.502 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.891 ' CE1' HD22 ' A' ' 17' ' ' LEU . 13.7 m-30 -64.85 -47.26 78.58 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.76 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.499 ' HB2' ' CG ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -58.94 -51.08 71.56 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.686 179.695 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.425 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 1.6 p -55.46 -32.58 62.9 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.149 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.5 ptmt -102.5 4.9 39.11 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.556 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.984 HD12 HD11 ' A' ' 37' ' ' ILE . 0.6 OUTLIER -93.35 -63.77 1.17 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.022 0.439 . . . . 0.0 112.085 -179.418 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.677 ' HB2' ' HD2' ' A' ' 31' ' ' ARG . 38.0 p -57.49 -18.16 17.34 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.869 -0.605 . . . . 0.0 112.298 -178.488 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.425 ' HG2' ' O ' ' A' ' 23' ' ' SER . 1.2 mm100 -77.83 49.62 0.79 Allowed 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.782 -0.367 . . . . 0.0 111.661 -179.239 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.48 ' CG2' ' N ' ' A' ' 29' ' ' GLU . 0.9 OUTLIER -176.58 -54.71 0.01 OUTLIER 'General case' 0 CA--C 1.528 0.132 0 N-CA-C 111.687 0.254 . . . . 0.0 111.687 179.288 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.48 ' N ' ' CG2' ' A' ' 28' ' ' THR . 7.6 pt-20 -179.3 27.08 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.772 0.32 . . . . 0.0 111.687 -179.668 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.548 ' CB ' HD22 ' A' ' 25' ' ' LEU . 6.6 m-20 -131.92 47.88 2.48 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.929 0.395 . . . . 0.0 110.748 -179.789 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.677 ' HD2' ' HB2' ' A' ' 26' ' ' SER . 21.2 mmm180 -64.9 -50.07 67.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.415 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -59.88 -46.98 87.6 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.268 0.556 . . . . 0.0 109.856 178.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.707 HD21 ' HB3' ' B' ' 95' ' ' SER . 8.5 tp -55.92 -36.51 67.81 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.452 179.221 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.647 ' HA ' HD12 ' A' ' 37' ' ' ILE . 10.5 ttt180 -60.35 -42.65 96.19 Favored 'General case' 0 CA--C 1.518 -0.261 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 179.118 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.0 t -59.25 -35.3 73.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.902 178.725 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.73 ' HB3' ' NE2' ' B' ' 91' ' ' GLN . 38.2 m -66.45 -51.27 58.67 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-O 121.258 0.551 . . . . 0.0 110.428 179.339 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 1.031 HG23 HD22 ' A' ' 18' ' ' LEU . 6.1 mt -59.46 -40.89 82.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.91 -0.587 . . . . 0.0 109.593 179.076 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.15 -52.14 66.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 114.987 -1.006 . . . . 0.0 111.86 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.595 ' HD2' HE22 ' B' ' 91' ' ' GLN . 3.8 ptp180 -56.74 -38.01 71.81 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 120.36 -0.536 . . . . 0.0 110.326 -179.755 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.723 HG12 ' CD2' ' A' ' 44' ' ' PHE . 95.6 t -64.43 -31.25 52.78 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 178.357 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.797 HD11 ' CB ' ' A' ' 18' ' ' LEU . 30.4 mm -65.49 -61.83 1.52 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.199 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.04 179.496 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.4 p -52.66 -47.04 67.41 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-O 121.038 0.447 . . . . 0.0 110.4 -179.522 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.577 HG23 ' CE2' ' B' ' 129' ' ' TYR . 24.5 mt -60.59 -32.59 51.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.721 178.71 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.82 ' HB3' HD22 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -72.86 -59.59 2.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.893 179.614 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -80.55 1.1 30.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.937 -178.808 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -47.54 170.14 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.824 0.345 . . . . 0.0 111.523 -179.619 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -83.15 -36.75 24.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 -179.741 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.766 HD12 ' HA ' ' B' ' 129' ' ' TYR . 0.3 OUTLIER -76.34 -44.54 36.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.495 179.782 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.567 ' CE1' HD23 ' B' ' 126' ' ' LEU . 11.0 t80 -51.2 -56.57 12.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.514 -179.397 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 90.5 mm-40 -53.21 -40.62 64.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.906 0.384 . . . . 0.0 110.722 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.43 -48.79 80.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.688 179.627 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.623 HD13 ' O ' ' B' ' 125' ' ' LEU . 4.0 mt -60.26 -47.28 86.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.571 179.643 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.623 HG12 HD13 ' B' ' 125' ' ' LEU . 47.7 mt -53.41 -34.94 23.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.49 179.448 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -73.24 -32.42 64.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.271 179.217 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.5 HG22 ' HB2' ' A' ' 59' ' ' TYR . 58.2 mt -70.33 -43.75 78.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.22 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.4 -20.54 4.7 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.737 -179.558 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.408 ' O ' ' CG ' ' A' ' 58' ' ' PHE . 24.7 pt-20 -43.59 -36.43 2.1 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.775 0.321 . . . . 0.0 111.421 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.408 ' CG ' ' O ' ' A' ' 57' ' ' GLU . 68.0 m-85 -158.09 36.56 0.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.25 -179.786 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.959 ' CD2' HD21 ' D' ' 128' ' ' LEU . 15.2 m-85 -132.56 70.09 1.47 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.597 179.791 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.407 ' HB2' ' HB ' ' C' ' 62' ' ' THR . 5.9 mm-40 -55.51 90.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.975 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.578 HG23 HG21 ' B' ' 124' ' ' THR . 0.0 OUTLIER -72.84 98.13 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.007 0.432 . . . . 0.0 110.924 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.425 ' HB ' ' HB2' ' C' ' 60' ' ' GLU . 4.3 m -78.98 120.09 23.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.611 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.464 ' CD1' ' CE2' ' C' ' 59' ' ' TYR . 0.2 OUTLIER -94.17 125.46 38.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.813 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.665 HD23 ' N ' ' A' ' 64' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 82' ' ' LEU . . . . . 0.498 HD12 ' HB3' ' B' ' 130' ' ' ASP . 8.9 tt . . . . . 0 N--CA 1.445 -0.682 0 CA-C-O 121.356 0.598 . . . . 0.0 109.502 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 83' ' ' LEU . . . . . 0.961 HD23 ' H ' ' B' ' 84' ' ' ALA . 0.3 OUTLIER -84.97 -46.15 11.51 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.133 -0.939 . . . . 0.0 110.938 -179.827 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 0.961 ' H ' HD23 ' B' ' 83' ' ' LEU . . . -70.36 -29.23 65.86 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.965 -178.739 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 85' ' ' ALA . . . . . 0.664 ' HB1' ' HB3' ' B' ' 126' ' ' LEU . . . -53.11 -26.61 17.07 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.016 0.436 . . . . 0.0 110.352 179.734 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -118.47 -40.62 2.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.832 178.729 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 87' ' ' ARG . . . . . 0.68 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 26.6 ttt85 -65.55 -50.27 65.81 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.159 179.18 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 88' ' ' ALA . . . . . 0.861 ' O ' HG23 ' B' ' 92' ' ' VAL . . . -65.92 -34.7 78.72 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.374 -179.517 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 89' ' ' VAL . . . . . 0.712 HG13 ' CD2' ' B' ' 117' ' ' PHE . 76.2 t -64.36 -57.19 12.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.187 179.558 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.7 -29.08 70.07 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 178.862 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 91' ' ' GLN . . . . . 0.73 ' NE2' ' HB3' ' A' ' 36' ' ' SER . 3.6 tt0 -63.54 -47.88 79.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.372 -0.831 . . . . 0.0 108.973 178.835 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 92' ' ' VAL . . . . . 0.861 HG23 ' O ' ' B' ' 88' ' ' ALA . 21.4 t -74.63 -28.58 22.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.04 177.545 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 93' ' ' LEU . . . . . 0.736 ' CD1' ' HB2' ' B' ' 117' ' ' PHE . 0.7 OUTLIER -65.18 -31.29 72.4 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.703 179.05 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -80.65 -42.49 22.02 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.138 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 95' ' ' SER . . . . . 0.707 ' HB3' HD21 ' A' ' 33' ' ' LEU . 1.0 OUTLIER -79.35 -12.51 59.92 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.544 179.842 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 96' ' ' LEU . . . . . 0.821 HD22 HD22 ' B' ' 110' ' ' LEU . 0.2 OUTLIER -43.99 -52.23 7.17 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.846 0.355 . . . . 0.0 111.879 -179.485 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -65.95 -27.49 68.2 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.018 -179.5 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 98' ' ' GLU . . . . . 0.767 ' O ' ' HB3' ' B' ' 101' ' ' ALA . 0.2 OUTLIER -70.94 -37.11 72.84 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 178.082 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 99' ' ' ILE . . . . . 0.908 HG12 HD11 ' A' ' 25' ' ' LEU . 84.9 mt -58.55 -49.15 83.38 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.66 0 CA-C-N 114.545 -1.207 . . . . 0.0 109.817 178.452 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 100' ' ' HIS . . . . . 0.81 ' HB2' HD11 ' B' ' 110' ' ' LEU . 0.2 OUTLIER -58.01 -35.67 71.57 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 178.563 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 101' ' ' ALA . . . . . 0.767 ' HB3' ' O ' ' B' ' 98' ' ' GLU . . . -55.37 -42.31 73.77 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.541 -1.208 . . . . 0.0 111.857 179.507 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 102' ' ' LEU . . . . . 0.595 HD12 HG23 ' B' ' 103' ' ' THR . 0.3 OUTLIER -119.59 33.06 5.78 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 -177.473 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 103' ' ' THR . . . . . 0.595 HG23 HD12 ' B' ' 102' ' ' LEU . 40.4 p -151.29 -29.33 0.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 179.797 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 5.2 t70 75.37 22.65 1.64 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.083 0.468 . . . . 0.0 110.596 -179.327 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 105' ' ' SER . . . . . 0.46 ' HB3' ' CE1' ' A' ' 21' ' ' TYR . 0.1 OUTLIER -57.28 -20.0 25.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.029 179.464 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 106' ' ' SER . . . . . 0.412 ' CB ' ' O ' ' B' ' 105' ' ' SER . 4.3 t 80.61 121.04 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.71 -179.762 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -49.86 -27.11 4.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.056 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 10.0 tptt -57.45 -54.52 45.95 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.04 0.447 . . . . 0.0 110.264 179.579 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 109' ' ' ASP . . . . . 0.635 ' O ' HD12 ' B' ' 113' ' ' LEU . 9.2 m-20 -63.46 -35.51 80.67 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.808 179.145 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 110' ' ' LEU . . . . . 0.821 HD22 HD22 ' B' ' 96' ' ' LEU . 53.1 mt -64.18 -40.7 96.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.359 179.354 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -62.21 -42.81 99.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.565 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 112' ' ' PHE . . . . . 0.4 ' CE1' ' CG2' ' B' ' 116' ' ' VAL . 2.6 t80 -59.06 -46.06 89.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.386 179.692 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 113' ' ' LEU . . . . . 0.694 HD11 ' CD1' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -72.44 -31.29 65.34 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.3 179.669 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 114' ' ' HIS . . . . . 0.51 ' HA ' HD11 ' B' ' 93' ' ' LEU . 1.6 t60 -59.64 -36.28 76.07 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 178.138 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 115' ' ' SER . . . . . 0.554 ' HA ' ' HB2' ' B' ' 118' ' ' GLN . 6.9 p -81.11 -39.99 24.77 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.482 178.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 116' ' ' VAL . . . . . 0.868 ' O ' HD22 ' B' ' 122' ' ' LEU . 10.2 t -55.95 -24.51 17.38 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 CA-C-O 121.436 0.636 . . . . 0.0 109.43 178.654 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 117' ' ' PHE . . . . . 0.856 ' HZ ' HD11 ' A' ' 18' ' ' LEU . 7.7 m-30 -98.8 -27.07 14.1 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 114.935 -1.029 . . . . 0.0 111.309 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 118' ' ' GLN . . . . . 0.554 ' HB2' ' HA ' ' B' ' 115' ' ' SER . 0.0 OUTLIER -76.73 -15.71 59.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.924 -178.127 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 -53.6 117.51 3.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.751 0.31 . . . . 0.0 111.101 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 -57.37 -43.58 83.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -60.53 -34.5 74.21 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.8 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 122' ' ' LEU . . . . . 0.868 HD22 ' O ' ' B' ' 116' ' ' VAL . 54.3 tp -56.13 -49.32 74.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.995 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 123' ' ' HIS . . . . . 1.006 ' HA ' HD12 ' B' ' 126' ' ' LEU . 11.7 m170 -55.71 -24.7 36.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.873 0.368 . . . . 0.0 110.202 179.379 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 124' ' ' THR . . . . . 0.578 HG21 HG23 ' A' ' 61' ' ' VAL . 2.4 m -74.94 -38.73 61.67 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 179.006 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 125' ' ' LEU . . . . . 0.837 HD12 HD12 ' B' ' 122' ' ' LEU . 4.1 mt -68.43 -30.8 69.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.758 178.669 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 126' ' ' LEU . . . . . 1.006 HD12 ' HA ' ' B' ' 123' ' ' HIS . 11.7 mt -73.22 -50.43 22.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.59 -179.447 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.56 -50.63 72.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.989 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 128' ' ' LEU . . . . . 0.918 HD21 ' CD2' ' C' ' 59' ' ' TYR . 2.8 mt -70.46 -29.36 65.9 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.494 179.678 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 129' ' ' TYR . . . . . 0.766 ' HA ' HD12 ' A' ' 48' ' ' LEU . 1.2 t80 -55.47 -53.45 56.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.227 -179.285 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 130' ' ' ASP . . . . . 0.498 ' HB3' HD12 ' B' ' 82' ' ' LEU . 0.4 OUTLIER -78.11 -31.41 49.97 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.596 -0.442 . . . . 0.0 111.544 179.768 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 1.4 tttp -54.28 -54.23 42.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.198 -179.47 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 132' ' ' ILE . . . . . 0.763 HD12 ' O ' ' B' ' 128' ' ' LEU . 1.5 mt -78.35 -44.43 26.81 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 CA-C-O 120.948 0.404 . . . . 0.0 110.935 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 133' ' ' ASN . . . . . . . . . . . . . 61.6 t-20 -56.46 -25.94 52.42 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.988 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 134' ' ' THR . . . . . 0.693 HG22 ' HG2' ' B' ' 135' ' ' LYS . 85.2 m -86.64 -54.61 4.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.74 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 135' ' ' LYS . . . . . 0.693 ' HG2' HG22 ' B' ' 134' ' ' THR . 0.0 OUTLIER 164.21 -21.68 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.226 179.762 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 136' ' ' SER . . . . . 0.418 ' HB3' ' HA ' ' C' ' 51' ' ' ALA . 0.4 OUTLIER . . . . . 0 C--N 1.332 -0.182 0 CA-C-O 120.793 0.33 . . . . 0.0 110.786 -179.77 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 7' ' ' ARG . . . . . . . . . . . . . 9.5 ttp-105 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.259 -0.274 . . . . 0.0 110.259 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' C' C ' 8' ' ' LYS . . . . . 0.402 ' HD3' ' CG2' ' C' ' 53' ' ' ILE . 0.1 OUTLIER -61.66 -41.0 96.92 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 121.149 0.499 . . . . 0.0 109.941 179.302 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -77.26 -30.81 54.58 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.24 179.271 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 10' ' ' ASP . . . . . 0.45 ' HB3' HG22 ' D' ' 116' ' ' VAL . 13.2 m-20 -75.7 -29.87 59.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.263 179.535 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 3.2 p -73.21 -50.24 23.55 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.452 179.585 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 12' ' ' GLN . . . . . 0.519 ' HA ' HD23 ' C' ' 15' ' ' LEU . 0.0 OUTLIER -63.98 -32.97 74.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.172 179.504 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 34.8 ttt180 -75.96 -25.65 56.09 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.145 178.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 14' ' ' ALA . . . . . 0.729 ' HB1' HD23 ' D' ' 113' ' ' LEU . . . -78.25 -54.83 5.79 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.523 178.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 15' ' ' LEU . . . . . 0.753 ' HA ' HD12 ' C' ' 18' ' ' LEU . 0.4 OUTLIER -60.5 -28.78 68.64 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.787 179.289 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 16' ' ' HIS . . . . . . . . . . . . . 5.7 m80 -73.46 -41.91 62.58 Favored 'General case' 0 CA--C 1.52 -0.186 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 179.023 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 17' ' ' LEU . . . . . 0.876 HD22 ' CZ ' ' C' ' 21' ' ' TYR . 1.2 mt -62.72 -48.94 77.03 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.319 179.589 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 18' ' ' LEU . . . . . 0.934 ' HB3' HG23 ' C' ' 37' ' ' ILE . 2.3 mt -59.93 -37.01 78.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.468 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.34 -46.28 90.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.009 0.433 . . . . 0.0 110.722 179.628 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.73 -31.27 68.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.199 179.612 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 21' ' ' TYR . . . . . 0.876 ' CZ ' HD22 ' C' ' 17' ' ' LEU . 14.4 m-85 -70.79 -43.92 67.7 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.651 179.38 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 22' ' ' ARG . . . . . 0.58 ' HB2' HG21 ' C' ' 37' ' ' ILE . 3.5 ttt180 -54.18 -48.39 71.0 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.374 179.659 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 98.5 p -58.77 -45.47 89.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.011 179.418 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 24' ' ' LYS . . . . . 0.535 ' O ' HG22 ' D' ' 103' ' ' THR . 12.2 ptmt -93.27 12.35 24.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.932 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 25' ' ' LEU . . . . . 0.879 HD12 HD11 ' C' ' 37' ' ' ILE . 0.0 OUTLIER -116.12 -77.24 0.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.834 0.35 . . . . 0.0 111.411 -179.193 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 26' ' ' SER . . . . . 0.461 ' N ' HD22 ' C' ' 25' ' ' LEU . 4.1 m -56.38 -19.32 14.24 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.07 -0.514 . . . . 0.0 112.213 -178.507 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 27' ' ' GLN . . . . . 0.435 ' OE1' ' NH1' ' C' ' 31' ' ' ARG . 0.8 OUTLIER -77.46 57.79 1.6 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.86 0.362 . . . . 0.0 111.366 -179.577 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 28' ' ' THR . . . . . 0.457 HG23 ' N ' ' C' ' 29' ' ' GLU . 3.6 t -173.47 -51.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.534 179.604 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 29' ' ' GLU . . . . . 0.457 ' N ' HG23 ' C' ' 28' ' ' THR . 19.9 pt-20 -170.79 27.06 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.664 -179.733 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 30' ' ' ASP . . . . . 0.692 ' OD2' HD23 ' C' ' 33' ' ' LEU . 2.1 m-20 -138.69 46.51 1.99 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.907 0.384 . . . . 0.0 111.128 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 31' ' ' ARG . . . . . 0.435 ' NH1' ' OE1' ' C' ' 27' ' ' GLN . 26.8 mmm180 -55.49 -45.68 77.01 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.101 0.477 . . . . 0.0 110.301 179.601 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 27.6 tp60 -58.24 -42.81 87.19 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 178.495 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 33' ' ' LEU . . . . . 0.776 ' HG ' HD11 ' C' ' 25' ' ' LEU . 0.0 OUTLIER -57.62 -31.98 66.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.219 178.385 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 34' ' ' ARG . . . . . 0.458 ' HB2' ' CB ' ' C' ' 26' ' ' SER . 0.0 OUTLIER -60.53 -52.46 65.09 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.879 179.067 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 1.1 t -55.5 -34.22 64.41 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.347 179.566 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 36' ' ' SER . . . . . 0.718 ' HB2' HG22 ' D' ' 92' ' ' VAL . 0.8 OUTLIER -67.69 -51.97 43.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.53 179.447 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 37' ' ' ILE . . . . . 0.934 HG23 ' HB3' ' C' ' 18' ' ' LEU . 57.4 mt -60.43 -41.74 88.59 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 179.067 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -54.95 -43.34 73.33 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.234 179.364 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 39' ' ' ARG . . . . . 0.415 ' HB3' ' CB ' ' D' ' 88' ' ' ALA . 6.5 mtt180 -57.1 -50.9 71.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.807 178.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 40' ' ' VAL . . . . . 0.602 ' O ' ' HB2' ' C' ' 44' ' ' PHE . 9.8 t -60.48 -30.96 47.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.708 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 41' ' ' ILE . . . . . 0.67 HD12 ' O ' ' C' ' 15' ' ' LEU . 4.9 mm -70.5 -52.98 24.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 C-N-CA 120.964 -0.295 . . . . 0.0 111.283 179.759 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 6.3 p -66.31 -47.78 72.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.827 0.346 . . . . 0.0 111.221 -179.145 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 43' ' ' ILE . . . . . 0.779 HG23 ' CE2' ' D' ' 129' ' ' TYR . 9.6 mt -59.87 -34.43 55.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.367 179.681 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 44' ' ' PHE . . . . . 0.652 ' HB3' HD22 ' C' ' 15' ' ' LEU . 2.9 m-85 -72.94 -54.85 7.59 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.999 179.536 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 45' ' ' GLN . . . . . 0.429 ' HG2' ' O ' ' C' ' 41' ' ' ILE . 14.7 pt20 -79.32 -9.4 59.57 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.67 0.618 . . . . 0.0 112.67 -178.062 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 46' ' ' SER . . . . . 0.438 ' OG ' ' HB2' ' C' ' 49' ' ' PHE . 7.6 p -47.63 133.47 13.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.952 0.406 . . . . 0.0 111.128 -179.551 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -50.56 -26.04 4.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.741 -179.45 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 48' ' ' LEU . . . . . 0.81 HD21 ' HB ' ' D' ' 132' ' ' ILE . 0.4 OUTLIER -79.61 -46.75 16.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.882 0.373 . . . . 0.0 110.562 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 49' ' ' PHE . . . . . 0.75 ' CE2' HD11 ' C' ' 53' ' ' ILE . 56.8 t80 -50.64 -56.14 13.22 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.347 -179.236 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 78.4 mm-40 -56.07 -38.54 70.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.008 0.433 . . . . 0.0 110.444 179.447 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 51' ' ' ALA . . . . . 0.418 ' HA ' ' HB3' ' B' ' 136' ' ' SER . . . -59.29 -47.12 86.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.513 179.606 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 52' ' ' LEU . . . . . 0.619 HD13 ' O ' ' D' ' 125' ' ' LEU . 3.3 mt -61.19 -45.96 92.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.327 179.593 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 53' ' ' ILE . . . . . 0.75 HD11 ' CE2' ' C' ' 49' ' ' PHE . 19.4 mt -54.67 -33.51 27.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.378 179.357 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -72.87 -34.85 66.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.423 179.355 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 55' ' ' ILE . . . . . 0.739 HD11 ' CG1' ' B' ' 132' ' ' ILE . 69.8 mt -68.43 -51.41 47.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.894 179.749 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 56' ' ' GLN . . . . . 0.441 ' OE1' HD21 ' D' ' 125' ' ' LEU . 11.1 pt20 -52.22 -23.52 5.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.38 -179.688 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 57' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -48.28 -30.68 5.05 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.819 0.342 . . . . 0.0 110.933 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 58' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -152.56 23.53 0.61 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.303 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 59' ' ' TYR . . . . . 0.918 ' CD2' HD21 ' B' ' 128' ' ' LEU . 52.3 m-85 -134.0 71.3 1.45 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.457 179.619 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 60' ' ' GLU . . . . . 0.425 ' HB2' ' HB ' ' A' ' 62' ' ' THR . 0.2 OUTLIER -55.23 96.88 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.056 -179.658 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 61' ' ' VAL . . . . . 0.598 HG23 HG21 ' D' ' 124' ' ' THR . 0.0 OUTLIER -78.46 97.08 2.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.076 179.761 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 62' ' ' THR . . . . . 0.407 ' HB ' ' HB2' ' A' ' 60' ' ' GLU . 5.1 m -87.62 118.0 26.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.594 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 63' ' ' LEU . . . . . 0.732 HD11 ' CZ ' ' A' ' 59' ' ' TYR . 0.1 OUTLIER -91.25 133.91 35.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.832 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 64' ' ' LEU . . . . . 0.738 ' N ' HD23 ' C' ' 64' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.531 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 82' ' ' LEU . . . . . 0.589 ' O ' HD23 ' D' ' 82' ' ' LEU . 7.8 tt . . . . . 0 N--CA 1.449 -0.503 0 CA-C-O 121.325 0.583 . . . . 0.0 109.435 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 83' ' ' LEU . . . . . 1.033 HD23 ' H ' ' D' ' 84' ' ' ALA . 0.3 OUTLIER -82.43 -47.6 12.06 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.228 -179.132 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' D' D ' 84' ' ' ALA . . . . . 1.033 ' H ' HD23 ' D' ' 83' ' ' LEU . . . -70.92 -26.0 63.01 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.448 -178.707 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 85' ' ' ALA . . . . . 0.9 ' HB1' ' HB3' ' D' ' 126' ' ' LEU . . . -52.85 -25.99 13.28 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.074 0.464 . . . . 0.0 110.143 179.456 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 86' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -122.12 -41.77 2.41 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.866 178.485 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 87' ' ' ARG . . . . . 0.672 ' HB3' ' O ' ' D' ' 83' ' ' LEU . 21.2 ttt-85 -63.23 -44.9 93.94 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.328 179.272 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 88' ' ' ALA . . . . . 0.717 ' HB3' ' O ' ' D' ' 84' ' ' ALA . . . -68.74 -41.97 78.24 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.02 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 89' ' ' VAL . . . . . 0.763 HG13 ' CD1' ' D' ' 117' ' ' PHE . 41.8 t -68.52 -38.58 79.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.892 179.589 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 6.6 t -76.28 -39.88 53.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.341 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 91' ' ' GLN . . . . . 0.456 ' HG3' ' HB3' ' C' ' 36' ' ' SER . 5.7 pt20 -67.08 -46.44 74.27 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.797 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 92' ' ' VAL . . . . . 0.718 HG22 ' HB2' ' C' ' 36' ' ' SER . 59.5 t -68.69 -27.83 37.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.438 178.173 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 93' ' ' LEU . . . . . 0.744 HD21 ' HA ' ' D' ' 114' ' ' HIS . 2.5 mt -63.05 -40.42 97.64 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.922 179.376 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -81.11 -27.03 35.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.073 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 95' ' ' SER . . . . . 0.774 ' HB3' HD21 ' C' ' 33' ' ' LEU . 24.2 m -79.25 -23.09 43.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.337 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 96' ' ' LEU . . . . . 0.62 HD22 HD22 ' D' ' 110' ' ' LEU . 0.6 OUTLIER -40.26 -52.81 2.62 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.9 0.381 . . . . 0.0 111.889 -179.692 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -64.95 -29.0 69.91 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.312 -179.07 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 98' ' ' GLU . . . . . 0.78 ' O ' ' HB3' ' D' ' 101' ' ' ALA . 0.0 OUTLIER -70.93 -39.59 72.57 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 177.752 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' D' D ' 99' ' ' ILE . . . . . 0.48 HG23 ' HG ' ' C' ' 25' ' ' LEU . 53.9 mt -60.32 -49.32 84.68 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.814 0 CA-C-N 114.148 -1.387 . . . . 0.0 110.107 178.61 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 100' ' ' HIS . . . . . 0.862 ' HB2' HD11 ' D' ' 110' ' ' LEU . 0.2 OUTLIER -58.32 -33.76 69.85 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 178.535 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' D' D ' 101' ' ' ALA . . . . . 0.78 ' HB3' ' O ' ' D' ' 98' ' ' GLU . . . -55.74 -42.91 76.08 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 114.631 -1.168 . . . . 0.0 111.746 179.485 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 102' ' ' LEU . . . . . 0.831 HD13 HD23 ' C' ' 25' ' ' LEU . 0.3 OUTLIER -117.02 23.07 12.14 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 -177.521 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' D' D ' 103' ' ' THR . . . . . 0.615 HG23 HD12 ' D' ' 102' ' ' LEU . 36.3 p -144.46 -5.42 0.75 Allowed 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 23.8 t0 53.12 22.51 2.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.995 0.426 . . . . 0.0 110.981 -179.237 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 105' ' ' SER . . . . . 0.46 ' HB2' ' CE1' ' C' ' 21' ' ' TYR . 58.1 p -56.59 -23.98 44.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.863 179.647 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 106' ' ' SER . . . . . . . . . . . . . 3.6 t 79.37 124.78 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.823 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 107' ' ' GLU . . . . . 0.444 ' HA ' HD12 ' D' ' 110' ' ' LEU . 0.9 OUTLIER -53.6 -23.97 12.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.844 179.913 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -56.9 -55.05 39.5 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.09 0.471 . . . . 0.0 110.01 179.393 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 109' ' ' ASP . . . . . 0.597 ' O ' HD12 ' D' ' 113' ' ' LEU . 3.6 m-20 -63.27 -41.17 98.99 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.629 178.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 110' ' ' LEU . . . . . 0.862 HD11 ' HB2' ' D' ' 100' ' ' HIS . 88.2 mt -61.02 -34.0 74.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.071 179.106 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 111' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -64.97 -46.42 81.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.591 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 112' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -58.52 -39.44 80.14 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.194 179.627 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 113' ' ' LEU . . . . . 0.729 HD23 ' HB1' ' C' ' 14' ' ' ALA . 0.5 OUTLIER -75.13 -36.42 61.6 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.554 179.72 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' D' D ' 114' ' ' HIS . . . . . 0.744 ' HA ' HD21 ' D' ' 93' ' ' LEU . 0.0 OUTLIER -59.42 -28.79 67.25 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 178.769 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' D' D ' 115' ' ' SER . . . . . 0.413 ' N ' ' CD2' ' D' ' 114' ' ' HIS . 0.3 OUTLIER -79.13 -38.44 36.09 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 177.883 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' D' D ' 116' ' ' VAL . . . . . 0.873 ' O ' HD22 ' D' ' 122' ' ' LEU . 11.5 t -60.93 -23.34 29.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 115.177 -0.92 . . . . 0.0 109.633 178.072 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 117' ' ' PHE . . . . . 0.763 ' CD1' HG13 ' D' ' 89' ' ' VAL . 25.5 m-85 -99.17 -40.37 8.01 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.284 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 118' ' ' GLN . . . . . 0.57 ' NE2' ' ND1' ' D' ' 114' ' ' HIS . 0.0 OUTLIER -59.71 -30.22 68.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.614 -179.14 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -44.17 116.07 0.95 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.661 -179.42 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 120' ' ' GLN . . . . . 0.454 ' O ' ' CD2' ' D' ' 123' ' ' HIS . 0.7 OUTLIER -59.91 -42.47 93.97 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.538 179.773 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' D' D ' 121' ' ' HIS . . . . . 0.418 ' O ' ' HG ' ' D' ' 125' ' ' LEU . 0.5 OUTLIER -55.42 -33.58 63.68 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.352 179.453 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' D' D ' 122' ' ' LEU . . . . . 0.873 HD22 ' O ' ' D' ' 116' ' ' VAL . 36.8 tp -55.69 -47.5 76.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.989 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 123' ' ' HIS . . . . . 0.912 ' HA ' HD12 ' D' ' 126' ' ' LEU . 0.0 OUTLIER -57.66 -24.47 56.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.999 0.428 . . . . 0.0 110.15 179.39 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' D' D ' 124' ' ' THR . . . . . 0.598 HG21 HG23 ' C' ' 61' ' ' VAL . 1.4 m -75.0 -38.03 61.69 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.479 178.826 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 125' ' ' LEU . . . . . 0.768 HD12 HD12 ' D' ' 122' ' ' LEU . 1.7 mt -73.18 -28.38 62.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.5 178.314 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 126' ' ' LEU . . . . . 0.912 HD12 ' HA ' ' D' ' 123' ' ' HIS . 18.9 mt -73.1 -50.27 23.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.963 -179.724 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 127' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -60.59 -46.55 89.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.287 179.472 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 128' ' ' LEU . . . . . 0.959 HD21 ' CD2' ' A' ' 59' ' ' TYR . 12.9 mt -70.43 -29.88 66.59 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.451 179.53 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 129' ' ' TYR . . . . . 0.779 ' CE2' HG23 ' C' ' 43' ' ' ILE . 1.0 OUTLIER -56.74 -51.6 68.24 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.857 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' D' D ' 130' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -76.11 -31.4 58.65 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.66 -0.416 . . . . 0.0 111.367 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 131' ' ' LYS . . . . . . . . . . . . . 4.1 mttp -54.47 -54.09 45.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.793 0.33 . . . . 0.0 110.987 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 132' ' ' ILE . . . . . 0.81 ' HB ' HD21 ' C' ' 48' ' ' LEU . 2.6 mt -76.74 -40.12 32.07 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.648 179.678 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 133' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 . . . . . 0 C--N 1.327 -0.411 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.903 -179.749 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 20.6 ttm-85 . . . . . 0 N--CA 1.454 -0.245 0 N-CA-C 110.45 -0.204 . . . . 0.0 110.45 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.558 ' HG2' HG21 ' A' ' 53' ' ' ILE . 28.6 mttt -65.28 -36.93 85.62 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-O 121.2 0.524 . . . . 0.0 109.624 179.013 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -76.82 -29.48 55.97 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.874 178.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.75 -30.89 40.91 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.463 179.658 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.5 p -75.97 -39.94 54.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.396 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.27 -37.43 74.87 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.846 -0.428 . . . . 0.0 109.846 179.285 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.54 -27.33 62.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.867 178.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.902 ' CB ' HG11 ' B' ' 116' ' ' VAL . . . -78.32 -55.29 5.36 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 178.857 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.706 HD22 ' HB3' ' A' ' 44' ' ' PHE . 0.3 OUTLIER -62.07 -27.27 68.79 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.53 179.088 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -73.56 -46.19 48.89 Favored 'General case' 0 CA--C 1.518 -0.256 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 178.678 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.874 HD22 ' CE1' ' A' ' 21' ' ' TYR . 1.5 mt -61.9 -37.91 86.4 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.316 178.646 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.92 ' CD2' HG11 ' B' ' 92' ' ' VAL . 39.0 mt -61.21 -42.35 98.45 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.902 179.714 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -63.11 -43.52 98.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.061 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -71.68 -34.5 69.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.232 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.874 ' CE1' HD22 ' A' ' 17' ' ' LEU . 11.7 m-30 -69.95 -44.01 70.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.047 179.598 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.652 ' HA ' HD12 ' A' ' 37' ' ' ILE . 1.8 ttt-85 -55.42 -51.09 68.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.845 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.0 p -58.57 -43.84 89.55 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.069 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.4 ptmt -85.41 -1.42 57.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.752 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 1.061 HD12 HD11 ' A' ' 37' ' ' ILE . 0.2 OUTLIER -90.03 -69.26 0.73 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.809 0.338 . . . . 0.0 111.006 -179.752 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.488 ' HB2' ' HB2' ' A' ' 34' ' ' ARG . 36.2 t -62.0 -146.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.826 -179.357 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 50.0 26.11 1.92 Allowed 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 121.066 0.46 . . . . 0.0 110.209 -179.299 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.539 HG23 ' N ' ' A' ' 29' ' ' GLU . 12.9 t -149.86 -53.74 0.16 Allowed 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.77 -179.768 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.539 ' N ' HG23 ' A' ' 28' ' ' THR . 13.5 pt-20 -179.57 27.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.702 -179.693 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.416 ' CB ' HD22 ' A' ' 25' ' ' LEU . 1.0 OUTLIER -142.92 52.04 1.4 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.961 0.41 . . . . 0.0 111.091 -179.802 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.77 -55.03 30.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.439 0.637 . . . . 0.0 110.297 179.573 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.5 tp60 -52.56 -50.21 63.38 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.791 178.785 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.821 HD21 ' HB3' ' B' ' 95' ' ' SER . 8.8 tp -54.8 -31.3 58.82 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.892 178.651 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.488 ' HB2' ' HB2' ' A' ' 26' ' ' SER . 10.5 ttp180 -60.46 -46.65 89.29 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.367 178.795 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.6 m -59.09 -34.79 72.41 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.15 178.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.405 ' HB3' ' CB ' ' B' ' 91' ' ' GLN . 0.8 OUTLIER -63.63 -51.84 63.45 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.584 179.691 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 1.061 HD11 HD12 ' A' ' 25' ' ' LEU . 33.4 mt -59.37 -41.09 83.25 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.285 0 CA-C-O 121.209 0.528 . . . . 0.0 109.774 179.009 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -58.04 -41.8 84.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.456 179.554 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.413 ' HB3' ' CB ' ' B' ' 88' ' ' ALA . 6.8 mtt180 -55.72 -50.46 70.29 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-O 121.239 0.542 . . . . 0.0 109.631 179.105 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.646 ' HB ' HD13 ' A' ' 18' ' ' LEU . 8.8 t -60.42 -28.65 42.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.663 179.592 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.72 HD11 ' HB3' ' A' ' 18' ' ' LEU . 13.0 mm -70.26 -55.46 14.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.627 179.701 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.2 p -63.79 -47.35 81.25 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-O 120.813 0.34 . . . . 0.0 111.099 -178.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 5.7 mt -59.7 -35.38 59.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.396 179.558 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.706 ' HB3' HD22 ' A' ' 15' ' ' LEU . 2.6 m-85 -72.6 -56.2 5.7 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.702 179.609 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.421 ' HG2' ' O ' ' A' ' 41' ' ' ILE . 15.2 pt20 -79.18 -0.04 30.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.962 -178.648 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.23 150.18 2.59 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.834 0.35 . . . . 0.0 111.002 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -66.19 -35.9 81.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.35 -179.554 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.872 ' O ' HD12 ' A' ' 48' ' ' LEU . 0.5 OUTLIER -79.7 -43.33 22.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.137 -179.713 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -50.6 -56.26 12.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.273 -179.546 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -55.17 -36.32 65.73 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.063 0.459 . . . . 0.0 110.446 179.552 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.457 ' HB3' ' O ' ' A' ' 48' ' ' LEU . . . -59.34 -49.2 78.75 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.375 179.323 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.531 HD13 ' O ' ' B' ' 125' ' ' LEU . 2.1 mt -57.71 -46.64 84.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.263 179.366 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.927 HG12 HD13 ' B' ' 125' ' ' LEU . 25.9 mt -56.69 -31.26 34.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.551 179.498 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -73.12 -33.67 65.68 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.071 179.094 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.847 HG22 ' HB2' ' A' ' 59' ' ' TYR . 64.4 mt -67.54 -45.91 84.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.674 179.502 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.22 -25.14 2.08 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.599 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.42 ' O ' ' CD2' ' A' ' 58' ' ' PHE . 11.7 mm-40 -45.58 -34.94 3.64 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.218 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.42 ' CD2' ' O ' ' A' ' 57' ' ' GLU . 62.0 m-85 -155.36 30.69 0.38 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.221 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.847 ' HB2' HG22 ' A' ' 55' ' ' ILE . 35.5 m-85 -136.34 70.41 1.42 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.503 179.509 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.416 ' HB2' ' HB ' ' C' ' 62' ' ' THR . 3.4 mm-40 -58.94 102.92 0.14 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.635 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.526 ' CG2' HG21 ' B' ' 124' ' ' THR . 0.0 OUTLIER -81.64 96.72 3.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.82 179.877 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.413 ' HB ' ' HB2' ' C' ' 60' ' ' GLU . 20.2 m -74.26 118.96 17.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.243 179.699 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.761 HD11 ' CE2' ' C' ' 59' ' ' TYR . 0.0 OUTLIER -93.59 120.91 34.44 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.033 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.765 HD23 ' N ' ' A' ' 64' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.402 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.064 179.53 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 82' ' ' LEU . . . . . 0.522 ' O ' HD23 ' B' ' 82' ' ' LEU . 7.6 tt . . . . . 0 N--CA 1.449 -0.475 0 CA-C-O 121.394 0.616 . . . . 0.0 109.34 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 83' ' ' LEU . . . . . 0.961 HD23 ' H ' ' B' ' 84' ' ' ALA . 0.3 OUTLIER -80.99 -47.21 13.93 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.751 -179.538 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 0.961 ' H ' HD23 ' B' ' 83' ' ' LEU . . . -74.86 -25.56 59.06 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.731 -178.762 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 85' ' ' ALA . . . . . 0.932 ' HB1' ' HB3' ' B' ' 126' ' ' LEU . . . -52.94 -24.27 8.98 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.003 0.43 . . . . 0.0 110.224 179.52 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -123.07 -40.15 2.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.687 178.585 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 87' ' ' ARG . . . . . 0.703 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 28.0 ttt180 -65.21 -48.49 73.17 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.211 179.082 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 88' ' ' ALA . . . . . 0.763 ' HB2' ' HB1' ' B' ' 84' ' ' ALA . . . -65.02 -40.75 95.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.678 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 89' ' ' VAL . . . . . 0.491 ' CG1' ' HB3' ' B' ' 117' ' ' PHE . 48.9 t -61.5 -36.74 75.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.963 179.089 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 90' ' ' SER . . . . . 0.41 ' HA ' ' HB2' ' B' ' 93' ' ' LEU . 1.6 t -76.05 -23.54 55.11 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.783 179.483 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 91' ' ' GLN . . . . . 0.478 HE21 ' HG2' ' B' ' 87' ' ' ARG . 53.2 mt-30 -68.53 -55.69 10.84 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-O 121.32 0.581 . . . . 0.0 109.525 179.465 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 92' ' ' VAL . . . . . 0.92 HG11 ' CD2' ' A' ' 18' ' ' LEU . 2.9 t -67.8 -28.05 40.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.041 179.355 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 93' ' ' LEU . . . . . 0.705 HD21 ' HA ' ' B' ' 114' ' ' HIS . 2.9 mt -67.46 -34.39 77.09 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.985 179.572 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -86.97 -40.75 14.49 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.033 0.444 . . . . 0.0 111.079 -179.613 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 95' ' ' SER . . . . . 0.821 ' HB3' HD21 ' A' ' 33' ' ' LEU . 1.8 m -79.83 -17.65 52.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.213 -179.42 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 96' ' ' LEU . . . . . 0.945 HD12 ' CD2' ' B' ' 114' ' ' HIS . 0.2 OUTLIER -39.0 -52.12 1.8 Allowed 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -179.335 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -67.35 -30.09 69.81 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.486 -179.342 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 98' ' ' GLU . . . . . 0.806 ' O ' ' HB3' ' B' ' 101' ' ' ALA . 0.1 OUTLIER -69.88 -35.74 74.9 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 178.043 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 99' ' ' ILE . . . . . 0.538 ' O ' HG23 ' B' ' 103' ' ' THR . 45.2 mt -61.05 -48.78 87.5 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.843 0 CA-C-N 114.361 -1.29 . . . . 0.0 109.921 178.409 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 100' ' ' HIS . . . . . 0.778 ' HB2' HD11 ' B' ' 110' ' ' LEU . 0.2 OUTLIER -56.78 -35.41 68.67 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 178.267 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 101' ' ' ALA . . . . . 0.806 ' HB3' ' O ' ' B' ' 98' ' ' GLU . . . -54.23 -45.81 72.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.434 -1.257 . . . . 0.0 111.719 179.252 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 102' ' ' LEU . . . . . 0.765 HD21 ' OE2' ' B' ' 98' ' ' GLU . 0.4 OUTLIER -117.24 32.27 6.26 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.46 -0.791 . . . . 0.0 112.493 -177.625 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 103' ' ' THR . . . . . 0.659 HG23 HD12 ' B' ' 102' ' ' LEU . 41.8 p -147.39 -31.55 0.31 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 111.72 0.267 . . . . 0.0 111.72 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 11.8 t70 76.44 23.05 1.18 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.98 0.419 . . . . 0.0 110.576 -179.492 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 105' ' ' SER . . . . . 0.47 ' HB3' ' CE1' ' A' ' 21' ' ' TYR . 0.3 OUTLIER -59.66 -20.29 55.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.983 179.662 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 106' ' ' SER . . . . . 0.403 ' CB ' ' O ' ' B' ' 105' ' ' SER . 3.9 t 79.89 123.18 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.702 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -51.1 -26.65 6.81 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.095 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.58 -55.08 38.39 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.11 0.481 . . . . 0.0 110.255 179.655 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 109' ' ' ASP . . . . . 0.714 ' O ' HD12 ' B' ' 113' ' ' LEU . 70.5 m-20 -64.74 -35.33 80.73 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.837 179.179 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 110' ' ' LEU . . . . . 0.937 HD22 HD22 ' B' ' 96' ' ' LEU . 31.0 mt -64.15 -36.4 83.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.093 179.282 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -65.6 -44.97 84.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.345 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 112' ' ' PHE . . . . . 0.615 ' O ' HG23 ' B' ' 116' ' ' VAL . 1.2 t80 -58.83 -40.8 85.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.585 179.661 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 113' ' ' LEU . . . . . 0.714 HD12 ' O ' ' B' ' 109' ' ' ASP . 0.5 OUTLIER -73.79 -32.2 63.64 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.929 -179.784 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 114' ' ' HIS . . . . . 0.945 ' CD2' HD12 ' B' ' 96' ' ' LEU . 35.4 m170 -60.05 -35.33 74.91 Favored 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 177.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 115' ' ' SER . . . . . 0.417 ' HA ' ' HB2' ' B' ' 118' ' ' GLN . 56.8 m -73.35 -38.43 65.73 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.171 178.684 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 116' ' ' VAL . . . . . 0.902 HG11 ' CB ' ' A' ' 14' ' ' ALA . 74.7 t -61.92 -23.2 30.68 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 CA-C-N 115.287 -0.869 . . . . 0.0 109.984 178.377 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 117' ' ' PHE . . . . . 0.673 ' CZ ' HD11 ' A' ' 18' ' ' LEU . 6.3 m-30 -107.74 -16.0 14.43 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.648 -179.613 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 118' ' ' GLN . . . . . 0.626 HE22 ' HB3' ' B' ' 114' ' ' HIS . 0.0 OUTLIER -78.01 -35.28 50.1 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 120.772 0.32 . . . . 0.0 111.33 -179.469 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -43.49 134.74 3.91 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.748 -179.295 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -75.16 -40.66 59.4 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.579 179.754 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -55.78 -33.68 64.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.32 179.488 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 122' ' ' LEU . . . . . 0.803 HD22 ' O ' ' B' ' 116' ' ' VAL . 50.1 tp -55.92 -47.12 78.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.492 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 123' ' ' HIS . . . . . 0.967 ' HA ' HD12 ' B' ' 126' ' ' LEU . 49.0 m-70 -57.74 -25.71 60.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.291 179.319 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 124' ' ' THR . . . . . 0.573 HG22 HD11 ' B' ' 128' ' ' LEU . 4.1 m -73.32 -39.58 65.16 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 178.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 125' ' ' LEU . . . . . 0.927 HD13 HG12 ' A' ' 53' ' ' ILE . 1.9 mt -68.77 -31.58 70.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.704 178.557 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 126' ' ' LEU . . . . . 0.967 HD12 ' HA ' ' B' ' 123' ' ' HIS . 11.2 mt -73.22 -51.0 19.34 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.247 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -60.03 -50.62 73.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.031 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 128' ' ' LEU . . . . . 0.943 HD21 ' CD2' ' C' ' 59' ' ' TYR . 9.2 mt -68.25 -30.01 68.96 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.761 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 129' ' ' TYR . . . . . 0.461 ' O ' ' HB2' ' B' ' 133' ' ' ASN . 8.0 t80 -57.35 -53.01 62.93 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.868 -179.401 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 130' ' ' ASP . . . . . 0.429 ' OD2' ' HB2' ' B' ' 82' ' ' LEU . 2.2 t70 -76.77 -28.44 55.67 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.659 -0.416 . . . . 0.0 111.356 179.579 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 2.2 tptp -54.74 -52.5 62.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.99 -179.675 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 132' ' ' ILE . . . . . 0.752 HD12 ' O ' ' B' ' 128' ' ' LEU . 1.7 mt -77.26 -41.06 30.14 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.014 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 133' ' ' ASN . . . . . 0.529 ' HB2' HD23 ' A' ' 48' ' ' LEU . 1.9 t-20 -58.66 -25.89 63.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.704 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 134' ' ' THR . . . . . 0.566 HG22 ' O ' ' B' ' 134' ' ' THR . 90.8 m -84.44 5.91 25.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.458 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 135' ' ' LYS . . . . . 0.511 ' HG2' ' O ' ' B' ' 134' ' ' THR . 0.0 OUTLIER 34.0 36.98 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.179 0.514 . . . . 0.0 111.733 -179.931 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.91 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 7' ' ' ARG . . . . . . . . . . . . . 8.6 ttm-85 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.33 -37.2 84.69 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-O 121.163 0.506 . . . . 0.0 109.78 179.016 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -75.65 -30.3 59.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.99 179.147 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -77.48 -31.5 53.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.311 179.607 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 1.1 p -72.29 -43.98 63.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.671 179.682 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 12' ' ' GLN . . . . . 0.602 ' HA ' HD23 ' C' ' 15' ' ' LEU . 0.1 OUTLIER -69.46 -35.35 75.54 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.27 179.504 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 23.0 ttt-85 -73.67 -25.19 60.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.965 179.059 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 14' ' ' ALA . . . . . 0.749 ' HB1' HD23 ' D' ' 113' ' ' LEU . . . -78.37 -55.0 5.58 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 179.02 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 15' ' ' LEU . . . . . 0.863 HD22 ' HB3' ' C' ' 44' ' ' PHE . 0.3 OUTLIER -61.39 -26.11 67.63 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.577 179.238 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' C' C ' 16' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -73.4 -43.88 59.58 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 178.451 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 17' ' ' LEU . . . . . 0.947 HD22 ' CE1' ' C' ' 21' ' ' TYR . 1.3 mt -61.89 -48.43 80.54 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.269 179.407 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 18' ' ' LEU . . . . . 1.035 HD22 HG11 ' D' ' 92' ' ' VAL . 6.2 mt -59.02 -37.6 77.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.31 179.704 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -57.69 -47.17 83.11 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.313 0.577 . . . . 0.0 110.368 179.357 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 20' ' ' GLU . . . . . 0.501 ' O ' ' HG3' ' C' ' 24' ' ' LYS . 18.5 mm-40 -71.34 -29.39 64.93 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.063 179.437 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 21' ' ' TYR . . . . . 0.947 ' CE1' HD22 ' C' ' 17' ' ' LEU . 6.1 m-30 -68.43 -49.42 60.08 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.388 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 22' ' ' ARG . . . . . 0.401 ' HB2' ' HG3' ' C' ' 34' ' ' ARG . 29.1 ptt85 -57.45 -42.72 83.04 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.893 0.378 . . . . 0.0 110.362 179.268 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 3.9 m -58.94 -37.36 76.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.841 179.556 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 24' ' ' LYS . . . . . 0.501 ' HG3' ' O ' ' C' ' 20' ' ' GLU . 0.0 OUTLIER -110.32 17.47 20.85 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.624 -179.861 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' C' C ' 25' ' ' LEU . . . . . 0.738 HD12 HD11 ' C' ' 37' ' ' ILE . 0.1 OUTLIER -105.71 -61.13 1.54 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.188 0.518 . . . . 0.0 110.059 179.61 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' C' C ' 26' ' ' SER . . . . . 0.403 ' OG ' ' CG ' ' C' ' 34' ' ' ARG . 1.2 m -65.04 -152.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.911 -179.635 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 27' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 57.76 23.25 9.34 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-O 120.938 0.399 . . . . 0.0 110.678 -179.665 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 28' ' ' THR . . . . . 0.676 HG23 ' H ' ' C' ' 29' ' ' GLU . 4.8 t -145.02 -59.88 0.35 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.043 -179.422 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 29' ' ' GLU . . . . . 0.676 ' H ' HG23 ' C' ' 28' ' ' THR . 17.2 pt-20 -174.69 27.97 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.283 -179.355 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -138.18 48.03 1.98 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.971 0.415 . . . . 0.0 110.922 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 -63.67 -52.31 61.25 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.147 0.499 . . . . 0.0 110.046 179.523 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.18 -43.91 78.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.637 178.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 33' ' ' LEU . . . . . 0.582 HD21 ' HB3' ' D' ' 95' ' ' SER . 8.6 tp -56.41 -34.53 66.84 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.864 178.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 34' ' ' ARG . . . . . 0.403 ' CG ' ' OG ' ' C' ' 26' ' ' SER . 1.8 ttp180 -60.47 -46.32 90.52 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.33 178.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.82 -32.91 69.82 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.065 178.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 36' ' ' SER . . . . . 0.441 ' HB3' ' CB ' ' D' ' 91' ' ' GLN . 0.5 OUTLIER -70.05 -51.39 32.41 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.081 179.218 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' C' C ' 37' ' ' ILE . . . . . 0.953 HG23 ' HB3' ' C' ' 18' ' ' LEU . 57.6 mt -56.84 -40.79 73.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.524 178.687 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.58 -41.51 94.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.82 179.623 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 39' ' ' ARG . . . . . 0.457 ' HB3' ' CB ' ' D' ' 88' ' ' ALA . 9.4 mtt180 -55.57 -49.62 72.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.142 0.496 . . . . 0.0 109.749 179.404 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 40' ' ' VAL . . . . . 0.636 HG21 HG21 ' D' ' 92' ' ' VAL . 24.5 t -60.18 -33.44 53.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.591 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 41' ' ' ILE . . . . . 0.786 HD11 ' HB2' ' C' ' 18' ' ' LEU . 13.5 mm -70.45 -50.29 46.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.809 0.337 . . . . 0.0 111.117 179.58 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 4.5 t -64.09 -48.4 76.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.728 -179.579 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 43' ' ' ILE . . . . . 0.773 HG23 ' CE2' ' D' ' 129' ' ' TYR . 5.1 mt -59.93 -33.53 53.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.143 179.488 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 44' ' ' PHE . . . . . 0.863 ' HB3' HD22 ' C' ' 15' ' ' LEU . 3.8 m-85 -72.01 -53.08 14.04 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.023 179.197 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 45' ' ' GLN . . . . . 0.772 ' NE2' HG22 ' C' ' 41' ' ' ILE . 30.8 mt-30 -55.17 -54.74 39.43 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.913 -179.643 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 46' ' ' SER . . . . . 0.506 ' C ' ' O ' ' C' ' 45' ' ' GLN . 53.6 p -17.13 118.08 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.322 -179.062 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -49.65 -26.23 3.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.712 -179.456 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 48' ' ' LEU . . . . . 0.775 ' O ' HD12 ' C' ' 48' ' ' LEU . 1.7 tp -78.11 -46.8 19.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.678 0.275 . . . . 0.0 110.946 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 49' ' ' PHE . . . . . 0.563 ' CE1' HD11 ' C' ' 53' ' ' ILE . 56.1 t80 -50.81 -55.56 16.3 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.785 0.326 . . . . 0.0 110.533 -179.809 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.09 -37.74 83.77 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.148 0.499 . . . . 0.0 109.934 178.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.68 -41.49 86.31 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.885 179.089 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 52' ' ' LEU . . . . . 0.536 HD21 ' CB ' ' D' ' 128' ' ' LEU . 0.3 OUTLIER -60.75 -43.06 98.45 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.555 178.717 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' C' C ' 53' ' ' ILE . . . . . 0.759 HG12 HD13 ' D' ' 125' ' ' LEU . 19.9 mt -56.16 -35.39 41.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.406 179.026 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -73.28 -31.9 64.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.457 179.541 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 55' ' ' ILE . . . . . 0.656 HG22 ' HB2' ' C' ' 59' ' ' TYR . 85.5 mt -67.52 -48.06 78.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.949 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 56' ' ' GLN . . . . . 0.612 ' OE1' HD21 ' D' ' 125' ' ' LEU . 5.5 pt20 -53.23 -22.3 6.59 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.52 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 57' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -45.01 -32.4 1.65 Allowed 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 120.809 0.338 . . . . 0.0 110.968 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 58' ' ' PHE . . . . . 0.409 ' HA ' ' HG ' ' A' ' 64' ' ' LEU . 54.9 m-85 -155.67 23.74 0.39 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.349 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 59' ' ' TYR . . . . . 0.943 ' CD2' HD21 ' B' ' 128' ' ' LEU . 16.5 m-85 -134.34 74.23 1.53 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.383 179.687 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 60' ' ' GLU . . . . . 0.413 ' HB2' ' HB ' ' A' ' 62' ' ' THR . 1.2 mt-10 -60.78 98.48 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.847 0.356 . . . . 0.0 110.765 -179.79 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 61' ' ' VAL . . . . . 0.617 HG23 HG21 ' D' ' 124' ' ' THR . 0.0 OUTLIER -72.69 99.04 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.155 -179.859 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' C' C ' 62' ' ' THR . . . . . 0.416 ' HB ' ' HB2' ' A' ' 60' ' ' GLU . 6.6 m -86.26 117.45 25.08 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.385 179.701 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 63' ' ' LEU . . . . . 0.617 HD11 ' OH ' ' A' ' 59' ' ' TYR . 0.2 OUTLIER -92.12 135.06 34.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.206 -179.765 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' C' C ' 64' ' ' LEU . . . . . 0.76 ' N ' HD23 ' C' ' 64' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.713 179.755 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 82' ' ' LEU . . . . . 0.561 ' O ' ' HB3' ' D' ' 85' ' ' ALA . 1.0 OUTLIER . . . . . 0 CA--C 1.521 -0.166 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 83' ' ' LEU . . . . . 0.991 HD23 ' H ' ' D' ' 84' ' ' ALA . 0.0 OUTLIER -44.69 -61.11 1.69 Allowed 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 114.922 -1.035 . . . . 0.0 111.255 -179.822 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' D' D ' 84' ' ' ALA . . . . . 0.991 ' H ' HD23 ' D' ' 83' ' ' LEU . . . -66.36 -26.91 67.5 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.126 -179.359 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 85' ' ' ALA . . . . . 0.925 ' HB1' ' HB3' ' D' ' 126' ' ' LEU . . . -53.03 -25.24 11.72 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.968 0.413 . . . . 0.0 110.406 179.514 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 86' ' ' GLU . . . . . 0.404 ' OE1' ' CG ' ' D' ' 123' ' ' HIS . 0.2 OUTLIER -127.04 -44.74 1.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.068 178.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' D' D ' 87' ' ' ARG . . . . . 0.78 ' HB3' ' O ' ' D' ' 83' ' ' LEU . 3.4 ttt180 -57.49 -47.38 82.08 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.063 179.096 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 88' ' ' ALA . . . . . 0.739 ' HB3' ' O ' ' D' ' 84' ' ' ALA . . . -57.55 -48.12 80.18 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.72 179.8 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 89' ' ' VAL . . . . . 0.816 HG13 ' CD1' ' D' ' 117' ' ' PHE . 50.0 t -61.46 -51.3 74.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.622 179.415 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 7.8 t -54.93 -26.3 35.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.229 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 91' ' ' GLN . . . . . 0.441 ' CB ' ' HB3' ' C' ' 36' ' ' SER . 48.4 mt-30 -72.32 -56.25 5.8 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-O 121.329 0.585 . . . . 0.0 110.048 179.6 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 92' ' ' VAL . . . . . 1.035 HG11 HD22 ' C' ' 18' ' ' LEU . 2.8 t -66.02 -28.21 43.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.494 179.481 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 93' ' ' LEU . . . . . 0.776 HD21 ' HA ' ' D' ' 114' ' ' HIS . 1.7 mt -73.9 -32.22 63.47 Favored 'General case' 0 C--O 1.23 0.066 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.354 179.672 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -86.12 -40.85 15.25 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.853 0.359 . . . . 0.0 111.044 -179.621 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 95' ' ' SER . . . . . 0.582 ' HB3' HD21 ' C' ' 33' ' ' LEU . 0.6 OUTLIER -79.21 -17.3 55.11 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.466 -179.834 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' D' D ' 96' ' ' LEU . . . . . 0.833 HD13 ' HB3' ' D' ' 110' ' ' LEU . 0.2 OUTLIER -40.23 -47.14 2.4 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.999 0.428 . . . . 0.0 111.941 -179.755 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -68.36 -34.03 75.34 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.234 -179.237 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 98' ' ' GLU . . . . . 0.819 ' O ' ' HB3' ' D' ' 101' ' ' ALA . 0.1 OUTLIER -69.18 -35.43 76.25 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 178.139 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' D' D ' 99' ' ' ILE . . . . . 0.485 ' HB ' ' O ' ' D' ' 96' ' ' LEU . 33.9 mt -59.18 -48.27 87.42 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.729 0 CA-C-N 114.462 -1.244 . . . . 0.0 109.81 178.451 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 100' ' ' HIS . . . . . 0.975 ' HB2' HD11 ' D' ' 110' ' ' LEU . 0.1 OUTLIER -58.39 -35.57 72.22 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 178.186 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' D' D ' 101' ' ' ALA . . . . . 0.819 ' HB3' ' O ' ' D' ' 98' ' ' GLU . . . -53.78 -44.06 69.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 114.619 -1.173 . . . . 0.0 111.865 179.361 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 102' ' ' LEU . . . . . 0.798 HD21 ' OE2' ' D' ' 98' ' ' GLU . 0.4 OUTLIER -118.09 32.08 6.34 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.619 -0.719 . . . . 0.0 112.692 -177.521 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' D' D ' 103' ' ' THR . . . . . 0.635 HG23 HD12 ' D' ' 102' ' ' LEU . 43.2 p -148.59 -36.98 0.18 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.73 0.3 . . . . 0.0 111.639 179.744 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 77.21 26.73 0.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.041 0.448 . . . . 0.0 110.338 -179.196 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 105' ' ' SER . . . . . . . . . . . . . 3.5 m -61.34 -16.61 47.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.235 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 106' ' ' SER . . . . . . . . . . . . . 1.3 t 77.56 124.94 0.04 OUTLIER 'General case' 0 N--CA 1.461 0.112 0 CA-C-O 120.954 0.407 . . . . 0.0 110.759 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 107' ' ' GLU . . . . . 0.805 ' HA ' HD12 ' D' ' 110' ' ' LEU . 3.6 pt-20 -52.34 -25.8 10.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.185 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.52 -55.18 38.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.083 0.468 . . . . 0.0 110.306 179.714 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 109' ' ' ASP . . . . . 0.509 ' O ' HD12 ' D' ' 113' ' ' LEU . 77.8 m-20 -63.17 -39.08 93.63 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.813 179.093 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 110' ' ' LEU . . . . . 0.975 HD11 ' HB2' ' D' ' 100' ' ' HIS . 31.3 mt -62.94 -36.92 85.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.285 179.393 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 111' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -63.81 -42.63 97.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.442 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 112' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -59.46 -46.65 88.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.392 179.63 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 113' ' ' LEU . . . . . 0.749 HD23 ' HB1' ' C' ' 14' ' ' ALA . 0.5 OUTLIER -69.92 -41.23 74.93 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.655 179.821 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' D' D ' 114' ' ' HIS . . . . . 0.776 ' HA ' HD21 ' D' ' 93' ' ' LEU . 2.3 t60 -56.98 -31.43 65.04 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 178.869 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 115' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.11 -38.71 51.66 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 177.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 116' ' ' VAL . . . . . 0.822 ' O ' HD22 ' D' ' 122' ' ' LEU . 3.3 t -59.24 -23.66 25.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 115.178 -0.919 . . . . 0.0 109.624 178.074 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 117' ' ' PHE . . . . . 0.816 ' CD1' HG13 ' D' ' 89' ' ' VAL . 27.2 m-85 -97.28 -48.92 5.15 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.26 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 118' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -49.05 -31.39 7.64 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.345 -179.377 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -46.69 119.06 2.27 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.311 -179.684 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 120' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.63 -37.91 89.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.865 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 121' ' ' HIS . . . . . 0.414 ' O ' ' HG ' ' D' ' 125' ' ' LEU . 13.9 m80 -59.06 -38.5 79.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.788 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 122' ' ' LEU . . . . . 0.822 HD22 ' O ' ' D' ' 116' ' ' VAL . 60.8 tp -56.52 -47.59 79.01 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.45 179.745 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 123' ' ' HIS . . . . . 0.944 ' HA ' HD12 ' D' ' 126' ' ' LEU . 50.1 m170 -53.94 -27.22 29.6 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.084 0.469 . . . . 0.0 110.043 178.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 124' ' ' THR . . . . . 0.617 HG21 HG23 ' C' ' 61' ' ' VAL . 1.2 m -74.89 -38.2 61.93 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.491 178.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 125' ' ' LEU . . . . . 0.759 HD13 HG12 ' C' ' 53' ' ' ILE . 1.7 mt -73.18 -29.6 62.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.315 178.38 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 126' ' ' LEU . . . . . 0.944 HD12 ' HA ' ' D' ' 123' ' ' HIS . 9.5 mt -71.27 -50.36 33.49 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.965 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 127' ' ' ASP . . . . . 0.429 ' O ' ' HB2' ' D' ' 131' ' ' LYS . 21.9 m-20 -67.88 -47.54 68.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.854 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 128' ' ' LEU . . . . . 0.834 HD21 ' CD2' ' A' ' 59' ' ' TYR . 64.4 mt -60.49 -35.24 75.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.638 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 129' ' ' TYR . . . . . 0.773 ' CE2' HG23 ' C' ' 43' ' ' ILE . 0.5 OUTLIER -64.01 -50.7 67.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.707 179.931 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' D' D ' 130' ' ' ASP . . . . . 0.841 ' OD2' ' HB2' ' D' ' 85' ' ' ALA . 23.6 m-20 -75.26 -25.7 58.24 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.502 -179.691 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 131' ' ' LYS . . . . . 0.429 ' HB2' ' O ' ' D' ' 127' ' ' ASP . 1.6 tttp -63.91 -52.13 61.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.733 0.301 . . . . 0.0 110.777 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 132' ' ' ILE . . . . . 0.655 HD12 ' O ' ' D' ' 128' ' ' LEU . 3.5 mt -71.91 -35.02 53.0 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 CA-C-O 121.017 0.437 . . . . 0.0 110.469 179.769 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 133' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 . . . . . 0 C--N 1.327 -0.393 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.877 179.913 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.466 ' O ' HG23 ' A' ' 11' ' ' THR . 13.0 ttm180 . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.6 tttm -64.1 -39.4 93.97 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-O 121.105 0.479 . . . . 0.0 109.814 179.093 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -77.28 -31.62 54.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.126 179.317 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -77.1 -29.76 55.02 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.13 179.489 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.466 HG23 ' O ' ' A' ' 7' ' ' ARG . 5.4 p -72.54 -47.56 47.35 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.365 179.7 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.54 ' HA ' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -65.22 -36.8 85.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.179 179.634 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.71 -24.45 59.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.053 179.053 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.803 ' CB ' HG11 ' B' ' 116' ' ' VAL . . . -77.8 -54.85 5.86 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.592 179.109 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.895 ' HA ' HD12 ' A' ' 18' ' ' LEU . 0.5 OUTLIER -59.63 -29.61 68.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.327 179.498 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -73.12 -44.29 60.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.11 0.481 . . . . 0.0 110.181 179.112 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.81 HD22 ' CE1' ' A' ' 21' ' ' TYR . 1.4 mt -59.6 -48.18 82.66 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.934 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.895 HD12 ' HA ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -62.46 -33.99 75.93 Favored 'General case' 0 CA--C 1.52 -0.199 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.026 179.614 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -57.4 -44.58 84.67 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.237 0.542 . . . . 0.0 110.126 179.456 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -73.04 -32.68 65.24 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.005 179.074 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.81 ' CE1' HD22 ' A' ' 17' ' ' LEU . 7.0 m-30 -65.77 -47.07 76.41 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.401 179.72 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.548 ' HB3' HD13 ' A' ' 37' ' ' ILE . 3.9 ptm180 -60.42 -41.81 94.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.386 179.514 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.446 ' N ' ' HG3' ' A' ' 22' ' ' ARG . 38.1 p -59.14 -35.69 73.94 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.264 179.304 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.2 ptmt -101.74 3.27 39.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.446 179.644 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.828 HD12 HD11 ' A' ' 37' ' ' ILE . 0.4 OUTLIER -91.5 -66.17 0.95 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.055 0.455 . . . . 0.0 111.107 -179.63 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.448 ' HB3' ' HB2' ' A' ' 34' ' ' ARG . 5.7 p -60.92 -159.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.008 -179.322 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.427 ' OE1' ' NH1' ' A' ' 31' ' ' ARG . 1.6 mp0 58.8 29.64 19.0 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.628 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.712 HG23 ' H ' ' A' ' 29' ' ' GLU . 4.2 t -151.48 -61.31 0.17 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.175 -179.739 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.712 ' H ' HG23 ' A' ' 28' ' ' THR . 26.8 pt-20 -174.43 27.87 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.233 -179.442 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.41 ' HB3' ' HB3' ' A' ' 33' ' ' LEU . 1.8 m-20 -143.05 53.61 1.37 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.583 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.427 ' NH1' ' OE1' ' A' ' 27' ' ' GLN . 11.9 mmm180 -66.41 -52.05 50.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.16 179.679 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -56.65 -47.92 78.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.634 178.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.709 HD21 ' HB3' ' B' ' 95' ' ' SER . 13.7 tp -54.77 -34.12 62.19 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.897 178.726 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.767 ' HA ' HD12 ' A' ' 37' ' ' ILE . 11.2 ttp180 -60.61 -43.28 97.63 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.322 178.86 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.77 -34.27 74.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.2 178.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.43 ' HB2' ' CB ' ' B' ' 91' ' ' GLN . 5.6 p -62.5 -51.66 66.57 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.533 179.513 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.88 HG23 ' HB3' ' A' ' 18' ' ' LEU . 5.1 mt -55.19 -45.79 77.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.096 179.098 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.79 -43.01 72.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.983 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.482 ' HB2' ' HB1' ' B' ' 88' ' ' ALA . 6.4 mtt180 -55.74 -51.34 67.67 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-O 121.207 0.527 . . . . 0.0 110.104 179.419 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.77 HG11 ' CZ ' ' B' ' 117' ' ' PHE . 11.5 t -60.47 -32.0 50.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.436 179.723 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.834 HD11 ' HB2' ' A' ' 18' ' ' LEU . 6.7 mm -70.35 -55.8 13.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.795 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 38.5 t -61.81 -49.24 77.09 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.042 0.448 . . . . 0.0 110.949 -179.006 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.471 HG23 ' CE2' ' B' ' 129' ' ' TYR . 10.2 mt -59.04 -33.49 50.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.191 179.729 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.775 ' HB3' HD22 ' A' ' 15' ' ' LEU . 2.0 m-85 -72.47 -56.16 5.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 112.085 179.685 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.491 ' HG2' ' O ' ' A' ' 41' ' ' ILE . 21.1 pt20 -81.09 5.22 17.32 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -178.463 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.7 m -53.99 177.52 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.401 0 CA-C-O 120.748 0.309 . . . . 0.0 110.183 179.606 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -89.19 -51.41 5.6 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.588 -179.552 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.869 ' O ' HD12 ' A' ' 48' ' ' LEU . 1.8 tp -68.38 -38.49 81.41 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.103 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.403 ' HZ ' HD11 ' B' ' 122' ' ' LEU . 59.8 t80 -51.11 -55.92 15.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.7 0.286 . . . . 0.0 111.014 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -59.16 -34.28 71.9 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.007 0.432 . . . . 0.0 109.995 179.179 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.498 ' HB3' ' O ' ' A' ' 48' ' ' LEU . . . -58.93 -45.01 91.41 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.211 179.198 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.508 HD21 ' HB3' ' B' ' 128' ' ' LEU . 1.8 mt -60.74 -44.79 96.22 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.082 179.103 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.602 HG12 HD13 ' B' ' 125' ' ' LEU . 9.8 mt -54.22 -35.96 31.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.248 179.314 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -73.3 -33.97 65.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.307 179.153 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.657 HG22 ' HB2' ' A' ' 59' ' ' TYR . 60.3 mt -66.54 -51.25 59.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.716 179.756 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -51.11 -25.15 4.71 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.344 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -48.24 -32.17 6.84 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.867 0.365 . . . . 0.0 110.907 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -148.77 21.85 1.01 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.121 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.657 ' HB2' HG22 ' A' ' 55' ' ' ILE . 55.5 m-85 -136.21 74.37 1.5 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.567 179.763 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.403 ' HB2' ' HB ' ' C' ' 62' ' ' THR . 3.1 mm-40 -61.22 94.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.744 0.307 . . . . 0.0 111.045 -179.73 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.536 HG23 HG21 ' B' ' 124' ' ' THR . 0.0 OUTLIER -72.87 104.14 1.96 Allowed 'Isoleucine or valine' 0 CA--C 1.522 -0.129 0 CA-C-O 120.871 0.367 . . . . 0.0 110.796 179.654 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.423 ' O ' HD23 ' A' ' 64' ' ' LEU . 12.2 m -85.76 109.62 18.77 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.743 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.421 HD11 ' CZ ' ' C' ' 59' ' ' TYR . 0.2 OUTLIER -84.29 130.01 34.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.568 179.716 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.713 HD23 ' N ' ' A' ' 64' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.346 -179.642 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 82' ' ' LEU . . . . . 0.523 HD11 ' HG2' ' B' ' 131' ' ' LYS . 8.8 tt . . . . . 0 N--CA 1.449 -0.511 0 CA-C-O 121.273 0.559 . . . . 0.0 110.152 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 83' ' ' LEU . . . . . 0.881 HD23 ' H ' ' B' ' 84' ' ' ALA . 0.8 OUTLIER -70.79 -34.71 72.05 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.976 -179.703 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 0.995 ' HB1' ' HB2' ' B' ' 88' ' ' ALA . . . -95.1 -16.75 22.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.547 -0.751 . . . . 0.0 112.652 -178.061 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 85' ' ' ALA . . . . . 0.903 ' HB1' ' HB3' ' B' ' 126' ' ' LEU . . . -51.96 -24.27 6.23 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.409 -0.516 . . . . 0.0 110.451 -179.76 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -123.03 -37.73 2.69 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.661 -0.699 . . . . 0.0 109.461 178.633 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 87' ' ' ARG . . . . . 0.67 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 31.7 ttt85 -65.71 -53.13 45.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.407 179.183 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 88' ' ' ALA . . . . . 0.995 ' HB2' ' HB1' ' B' ' 84' ' ' ALA . . . -60.38 -33.25 72.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.524 179.601 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 89' ' ' VAL . . . . . 0.473 ' CG1' ' HB3' ' B' ' 117' ' ' PHE . 38.7 t -66.81 -40.03 84.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.984 179.085 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 48.2 t -75.72 -21.79 57.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.624 179.242 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 91' ' ' GLN . . . . . 0.446 ' NE2' ' HA ' ' B' ' 88' ' ' ALA . 62.8 mt-30 -68.28 -56.9 6.99 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-O 121.266 0.555 . . . . 0.0 109.666 179.522 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 92' ' ' VAL . . . . . 0.839 HG11 HD22 ' A' ' 18' ' ' LEU . 4.2 t -67.84 -28.02 39.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.308 179.393 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 93' ' ' LEU . . . . . 0.634 HD11 ' HB2' ' B' ' 117' ' ' PHE . 0.7 OUTLIER -70.44 -30.07 66.82 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.422 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -87.97 -39.69 14.51 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.867 0.365 . . . . 0.0 111.362 -179.646 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 95' ' ' SER . . . . . 0.709 ' HB3' HD21 ' A' ' 33' ' ' LEU . 1.1 m -79.79 -16.27 55.86 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.892 -179.421 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 96' ' ' LEU . . . . . 0.85 HD13 ' HB3' ' B' ' 110' ' ' LEU . 0.1 OUTLIER -37.85 -51.71 1.3 Allowed 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 -179.25 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -69.08 -31.54 70.36 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.178 -179.008 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 98' ' ' GLU . . . . . 0.823 ' O ' ' HB3' ' B' ' 101' ' ' ALA . 0.0 OUTLIER -69.29 -34.53 74.86 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 178.023 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 99' ' ' ILE . . . . . 0.521 HG12 ' CD1' ' A' ' 25' ' ' LEU . 27.2 mt -60.3 -49.07 85.67 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 CA-C-N 114.476 -1.238 . . . . 0.0 109.9 178.484 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 100' ' ' HIS . . . . . 0.825 ' HB2' HD11 ' B' ' 110' ' ' LEU . 1.4 t60 -55.37 -39.14 69.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 122.007 0.908 . . . . 0.0 108.551 178.188 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 101' ' ' ALA . . . . . 0.823 ' HB3' ' O ' ' B' ' 98' ' ' GLU . . . -51.39 -46.11 62.72 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 113.879 -1.51 . . . . 0.0 112.075 179.573 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 102' ' ' LEU . . . . . 0.655 HD12 HG23 ' B' ' 103' ' ' THR . 0.4 OUTLIER -116.99 31.87 6.5 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.781 -177.479 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 103' ' ' THR . . . . . 0.655 HG23 HD12 ' B' ' 102' ' ' LEU . 33.2 p -149.51 -31.97 0.22 Allowed 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.967 -0.293 . . . . 0.0 111.656 179.471 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 1.1 t70 68.17 27.9 6.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.006 0.431 . . . . 0.0 110.302 -179.363 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.33 -81.98 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.877 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 164.94 108.09 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.153 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 107' ' ' GLU . . . . . 0.769 ' HA ' HD12 ' B' ' 110' ' ' LEU . 9.1 pt-20 -48.78 -36.22 16.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.825 0.345 . . . . 0.0 110.745 -179.798 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 1.6 mmmt -63.21 -46.95 84.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.822 179.068 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 109' ' ' ASP . . . . . 0.727 ' O ' HD12 ' B' ' 113' ' ' LEU . 16.6 m-20 -66.46 -34.9 78.98 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.926 178.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 110' ' ' LEU . . . . . 0.85 ' HB3' HD13 ' B' ' 96' ' ' LEU . 65.3 mt -64.66 -43.15 94.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.908 179.251 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -60.63 -41.57 95.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.504 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 112' ' ' PHE . . . . . 0.639 ' O ' HG23 ' B' ' 116' ' ' VAL . 2.7 t80 -59.03 -47.41 85.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.289 179.576 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 113' ' ' LEU . . . . . 0.77 HD11 ' CD1' ' A' ' 17' ' ' LEU . 0.7 OUTLIER -70.07 -33.2 71.61 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.086 179.597 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 114' ' ' HIS . . . . . 0.634 ' O ' ' HG2' ' B' ' 118' ' ' GLN . 1.0 OUTLIER -56.35 -41.39 76.05 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 178.539 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 115' ' ' SER . . . . . 0.547 ' HA ' ' HG2' ' B' ' 118' ' ' GLN . 27.9 t -76.23 -34.77 59.22 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.946 178.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 116' ' ' VAL . . . . . 0.809 ' O ' HD22 ' B' ' 122' ' ' LEU . 41.4 t -56.3 -26.1 21.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.524 178.561 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 117' ' ' PHE . . . . . 0.77 ' CZ ' HG11 ' A' ' 40' ' ' VAL . 8.2 m-30 -103.08 -19.32 14.59 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.83 179.402 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 118' ' ' GLN . . . . . 0.634 ' HG2' ' O ' ' B' ' 114' ' ' HIS . 11.1 mm100 -62.18 -42.88 99.7 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.064 0.459 . . . . 0.0 110.705 179.335 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -42.4 120.88 1.77 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.873 -179.085 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 5.1 tm0? -67.4 -36.7 81.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.287 179.566 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 49.4 m-70 -59.36 -34.86 72.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.385 179.438 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 122' ' ' LEU . . . . . 0.809 HD22 ' O ' ' B' ' 116' ' ' VAL . 56.2 tp -56.32 -43.87 79.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.027 179.572 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 123' ' ' HIS . . . . . 0.951 ' HA ' HD12 ' B' ' 126' ' ' LEU . 10.9 m170 -58.38 -27.11 63.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.738 178.788 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 124' ' ' THR . . . . . 0.536 HG21 HG23 ' A' ' 61' ' ' VAL . 1.3 m -72.89 -36.23 67.3 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 178.808 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 125' ' ' LEU . . . . . 0.806 HD12 HD12 ' B' ' 122' ' ' LEU . 4.0 mt -73.0 -33.51 65.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.414 178.477 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 126' ' ' LEU . . . . . 0.951 HD12 ' HA ' ' B' ' 123' ' ' HIS . 4.9 mt -72.91 -50.08 25.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.97 179.797 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.89 -51.51 64.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.083 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 128' ' ' LEU . . . . . 0.92 HD21 ' CD2' ' C' ' 59' ' ' TYR . 70.8 mt -60.83 -36.82 80.07 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.908 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 129' ' ' TYR . . . . . 0.604 ' O ' HD23 ' A' ' 48' ' ' LEU . 1.5 t80 -58.94 -52.72 64.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.048 -179.264 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 130' ' ' ASP . . . . . 0.8 ' OD2' ' HB2' ' B' ' 85' ' ' ALA . 16.6 m-20 -77.06 -30.03 55.41 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.228 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 131' ' ' LYS . . . . . 0.523 ' HG2' HD11 ' B' ' 82' ' ' LEU . 2.9 mmtt -56.04 -50.55 70.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.679 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 132' ' ' ILE . . . . . 0.617 HD12 ' O ' ' B' ' 128' ' ' LEU . 2.9 mt -75.87 -39.02 37.5 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.606 179.644 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 133' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -65.2 -30.04 70.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.151 -179.615 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 85.6 m -96.78 -58.7 1.97 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.913 -179.218 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 2.1 mmtt -56.5 -60.57 3.34 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.012 -179.528 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.622 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 7' ' ' ARG . . . . . 0.847 ' O ' HG23 ' C' ' 11' ' ' THR . 1.1 ttm-85 . . . . . 0 N--CA 1.45 -0.438 0 CA-C-O 120.354 0.121 . . . . 0.0 110.692 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 8' ' ' LYS . . . . . 0.673 ' CB ' HG21 ' C' ' 53' ' ' ILE . 0.0 OUTLIER -73.6 -21.65 60.26 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 178.441 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -75.0 -43.09 55.85 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.672 178.777 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 10' ' ' ASP . . . . . 0.692 ' HB2' HG22 ' D' ' 116' ' ' VAL . 8.3 p30 -72.83 -28.35 62.49 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.028 179.34 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 11' ' ' THR . . . . . 0.847 HG23 ' O ' ' C' ' 7' ' ' ARG . 42.7 p -68.24 -44.6 75.33 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.661 179.745 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -66.7 -44.94 80.34 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 120.902 0.382 . . . . 0.0 110.603 179.637 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 13' ' ' ARG . . . . . 0.407 ' HB3' ' CZ ' ' D' ' 112' ' ' PHE . 7.8 ttm-85 -66.21 -25.25 66.83 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.153 179.297 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 14' ' ' ALA . . . . . 0.937 ' CB ' HG11 ' D' ' 116' ' ' VAL . . . -78.73 -55.3 5.28 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 178.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 15' ' ' LEU . . . . . 0.867 ' HA ' HD12 ' C' ' 18' ' ' LEU . 0.3 OUTLIER -62.53 -28.38 69.81 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.606 179.374 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' C' C ' 16' ' ' HIS . . . . . . . . . . . . . 19.5 t-80 -72.96 -45.58 57.18 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 178.786 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 17' ' ' LEU . . . . . 0.936 HD22 ' CE1' ' C' ' 21' ' ' TYR . 1.8 mt -62.2 -36.98 83.58 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.395 178.703 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 18' ' ' LEU . . . . . 0.934 ' CD2' HG11 ' D' ' 92' ' ' VAL . 43.5 mt -60.45 -50.72 72.46 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.069 -0.969 . . . . 0.0 110.853 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 19' ' ' GLU . . . . . 0.454 ' O ' ' HG3' ' C' ' 22' ' ' ARG . 1.9 tt0 -58.78 -35.07 72.21 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.121 0.486 . . . . 0.0 110.787 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 20' ' ' GLU . . . . . 0.508 ' O ' ' HG3' ' C' ' 24' ' ' LYS . 5.3 mm-40 -75.35 -38.25 60.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.325 179.544 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 21' ' ' TYR . . . . . 0.936 ' CE1' HD22 ' C' ' 17' ' ' LEU . 14.7 m-30 -67.3 -48.91 66.23 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.678 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 22' ' ' ARG . . . . . 0.454 ' HG3' ' O ' ' C' ' 19' ' ' GLU . 0.0 OUTLIER -57.58 -43.38 84.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.881 0.372 . . . . 0.0 110.36 179.348 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 16.0 p -59.49 -35.37 73.99 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.761 179.49 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 24' ' ' LYS . . . . . 0.508 ' HG3' ' O ' ' C' ' 20' ' ' GLU . 0.0 OUTLIER -109.34 15.72 22.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.471 -179.933 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' C' C ' 25' ' ' LEU . . . . . 0.811 HD12 HD11 ' C' ' 37' ' ' ILE . 0.0 OUTLIER -105.28 -64.5 1.13 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.12 0.486 . . . . 0.0 110.101 179.585 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' C' C ' 26' ' ' SER . . . . . 0.465 ' OG ' ' CG ' ' C' ' 34' ' ' ARG . 0.9 OUTLIER -59.6 -158.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.06 -179.572 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' C' C ' 27' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 60.39 28.95 18.61 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 120.952 0.406 . . . . 0.0 110.419 -179.696 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 28' ' ' THR . . . . . 0.686 HG23 ' H ' ' C' ' 29' ' ' GLU . 3.5 t -150.01 -59.29 0.2 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.717 -179.595 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 29' ' ' GLU . . . . . 0.686 ' H ' HG23 ' C' ' 28' ' ' THR . 17.3 pt-20 -175.31 28.12 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.267 -0.878 . . . . 0.0 111.252 -179.492 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -140.72 43.55 1.84 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.057 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.79 -55.11 38.39 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.436 0.636 . . . . 0.0 110.503 179.796 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -52.74 -42.57 65.05 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.636 178.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 33' ' ' LEU . . . . . 0.536 ' CD2' HD11 ' C' ' 25' ' ' LEU . 5.1 tp -57.06 -35.44 69.36 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.977 178.801 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 34' ' ' ARG . . . . . 0.465 ' CG ' ' OG ' ' C' ' 26' ' ' SER . 1.4 ttt180 -60.34 -45.16 94.43 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.511 178.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 15.0 m -59.12 -35.06 72.8 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.239 179.15 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 36' ' ' SER . . . . . 0.517 ' O ' ' HG2' ' C' ' 39' ' ' ARG . 0.1 OUTLIER -70.06 -48.68 56.82 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.059 0.457 . . . . 0.0 110.306 179.507 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' C' C ' 37' ' ' ILE . . . . . 0.811 HD11 HD12 ' C' ' 25' ' ' LEU . 69.0 mt -60.33 -38.35 77.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.856 178.859 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 38' ' ' GLU . . . . . 0.406 ' HA ' HG12 ' C' ' 41' ' ' ILE . 1.4 mt-10 -64.7 -51.08 64.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.154 -0.93 . . . . 0.0 112.115 -179.635 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 39' ' ' ARG . . . . . 0.73 ' HG3' ' HB1' ' D' ' 88' ' ' ALA . 4.3 ptp180 -55.17 -40.26 70.49 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.19 -179.53 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 40' ' ' VAL . . . . . 0.456 ' CG1' ' CD1' ' C' ' 44' ' ' PHE . 92.4 t -62.21 -40.25 86.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 178.28 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 41' ' ' ILE . . . . . 0.652 HG12 ' O ' ' C' ' 37' ' ' ILE . 11.6 mm -55.38 -57.28 7.95 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.178 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.36 179.438 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 13.8 t -59.96 -47.4 85.96 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.917 0.389 . . . . 0.0 110.713 -179.336 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 43' ' ' ILE . . . . . 0.459 ' O ' ' CG ' ' C' ' 49' ' ' PHE . 18.0 mt -60.34 -34.39 57.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.155 179.306 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 44' ' ' PHE . . . . . 0.722 ' HB3' HD22 ' C' ' 15' ' ' LEU . 1.6 m-85 -71.99 -57.19 4.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.511 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 45' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -80.48 1.61 28.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.576 -179.35 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 46' ' ' SER . . . . . 0.473 ' HG ' ' HH ' ' D' ' 129' ' ' TYR . 0.5 OUTLIER -48.2 148.44 1.83 Allowed 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 121.042 0.449 . . . . 0.0 111.231 -179.696 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -64.07 -40.35 96.06 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.012 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 48' ' ' LEU . . . . . 0.857 ' O ' HD12 ' C' ' 48' ' ' LEU . 1.0 OUTLIER -79.49 -44.57 21.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.104 -179.859 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' C' C ' 49' ' ' PHE . . . . . 0.63 ' HE1' HD11 ' C' ' 53' ' ' ILE . 19.2 t80 -51.21 -53.52 34.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.16 -179.602 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -60.42 -40.33 90.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.455 179.69 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.7 -39.41 84.5 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.314 -0.403 . . . . 0.0 109.992 179.106 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 52' ' ' LEU . . . . . 0.558 HD13 ' O ' ' D' ' 125' ' ' LEU . 1.7 mt -61.15 -43.57 98.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.749 178.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 53' ' ' ILE . . . . . 0.731 HG12 HD13 ' D' ' 125' ' ' LEU . 46.8 mt -54.69 -46.77 73.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.367 179.117 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -59.0 -39.57 82.25 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.566 179.62 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 55' ' ' ILE . . . . . 0.715 HG22 ' HB2' ' C' ' 59' ' ' TYR . 64.2 mt -58.14 -43.06 84.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.842 179.724 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.61 -22.9 5.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.818 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 57' ' ' GLU . . . . . 0.4 ' O ' ' CG ' ' C' ' 58' ' ' PHE . 11.7 pt-20 -47.87 -30.96 4.53 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.724 0.297 . . . . 0.0 111.549 -179.686 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 58' ' ' PHE . . . . . 0.4 ' CG ' ' O ' ' C' ' 57' ' ' GLU . 46.0 m-85 -158.13 26.66 0.26 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.704 -179.64 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 59' ' ' TYR . . . . . 0.92 ' CD2' HD21 ' B' ' 128' ' ' LEU . 49.4 m-85 -132.1 71.66 1.48 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.851 0.358 . . . . 0.0 110.802 179.695 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 60' ' ' GLU . . . . . 0.42 ' HB2' ' HB ' ' A' ' 62' ' ' THR . 2.2 mm-40 -58.14 95.18 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.753 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 61' ' ' VAL . . . . . 0.456 ' CG2' HG21 ' D' ' 124' ' ' THR . 0.0 OUTLIER -72.39 97.28 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.965 0.412 . . . . 0.0 110.645 179.906 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' C' C ' 62' ' ' THR . . . . . 0.403 ' HB ' ' HB2' ' A' ' 60' ' ' GLU . 1.3 m -85.6 110.94 19.61 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.085 -179.624 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 63' ' ' LEU . . . . . 0.614 HD12 ' CE1' ' A' ' 59' ' ' TYR . 0.3 OUTLIER -81.55 137.74 35.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.006 179.247 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' C' C ' 64' ' ' LEU . . . . . 0.635 ' N ' HD23 ' C' ' 64' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 -179.023 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 82' ' ' LEU . . . . . 0.456 ' O ' HD23 ' D' ' 82' ' ' LEU . 8.5 tt . . . . . 0 N--CA 1.448 -0.56 0 CA-C-O 121.179 0.514 . . . . 0.0 110.049 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 83' ' ' LEU . . . . . 0.924 HD23 ' H ' ' D' ' 84' ' ' ALA . 0.8 OUTLIER -66.03 -38.01 87.34 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.341 179.741 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' D' D ' 84' ' ' ALA . . . . . 1.107 ' HB1' ' HB2' ' D' ' 88' ' ' ALA . . . -81.11 -16.87 51.84 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.633 -179.072 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 85' ' ' ALA . . . . . 0.82 ' HB1' ' CB ' ' D' ' 126' ' ' LEU . . . -52.14 -23.14 4.98 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.219 -0.592 . . . . 0.0 109.658 179.057 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 86' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -127.78 -37.51 1.94 Allowed 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.81 178.611 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 87' ' ' ARG . . . . . 0.628 ' HB3' ' O ' ' D' ' 83' ' ' LEU . 35.9 ttt85 -69.51 -35.8 75.84 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.793 179.721 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 88' ' ' ALA . . . . . 1.107 ' HB2' ' HB1' ' D' ' 84' ' ' ALA . . . -75.44 -42.75 52.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.918 -179.629 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 89' ' ' VAL . . . . . 0.74 HG13 ' CD1' ' D' ' 117' ' ' PHE . 42.9 t -70.98 -36.49 63.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.16 179.342 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 90' ' ' SER . . . . . 0.443 ' HA ' ' HB2' ' D' ' 93' ' ' LEU . 86.4 p -75.2 -27.42 59.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.475 179.131 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 91' ' ' GLN . . . . . 0.405 ' HB3' ' HB3' ' C' ' 36' ' ' SER . 5.9 mt-30 -65.46 -57.3 8.62 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.683 179.49 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 92' ' ' VAL . . . . . 0.934 HG11 ' CD2' ' C' ' 18' ' ' LEU . 11.7 t -66.03 -27.98 42.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.884 179.029 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 93' ' ' LEU . . . . . 0.706 HD21 ' HA ' ' D' ' 114' ' ' HIS . 3.1 mt -65.39 -32.9 74.77 Favored 'General case' 0 N--CA 1.458 -0.047 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.056 179.665 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.05 -38.0 18.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.764 0.316 . . . . 0.0 111.263 -179.533 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 95' ' ' SER . . . . . 0.473 ' HB2' HD11 ' C' ' 33' ' ' LEU . 0.3 OUTLIER -80.13 -22.42 42.12 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.244 -0.435 . . . . 0.0 112.169 -179.275 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' D' D ' 96' ' ' LEU . . . . . 0.92 HD22 HD22 ' D' ' 110' ' ' LEU . 0.2 OUTLIER -38.32 -52.28 1.52 Allowed 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -179.16 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -67.62 -30.5 70.09 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.204 -179.288 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 98' ' ' GLU . . . . . 0.807 ' O ' ' HB3' ' D' ' 101' ' ' ALA . 0.1 OUTLIER -69.83 -34.59 73.86 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 177.958 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' D' D ' 99' ' ' ILE . . . . . 0.61 HG23 HG21 ' D' ' 103' ' ' THR . 37.7 mt -61.51 -49.35 84.78 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.785 0 CA-C-N 114.595 -1.184 . . . . 0.0 109.646 178.452 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 100' ' ' HIS . . . . . 0.794 ' HB2' HD11 ' D' ' 110' ' ' LEU . 0.2 OUTLIER -55.98 -34.84 66.11 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 178.105 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' D' D ' 101' ' ' ALA . . . . . 0.807 ' HB3' ' O ' ' D' ' 98' ' ' GLU . . . -55.37 -45.82 76.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.413 -1.267 . . . . 0.0 111.927 179.405 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 102' ' ' LEU . . . . . 0.804 HD21 ' OE2' ' D' ' 98' ' ' GLU . 0.4 OUTLIER -117.18 28.52 8.45 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.577 -0.738 . . . . 0.0 112.757 -177.452 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' D' D ' 103' ' ' THR . . . . . 0.656 HG23 HD12 ' D' ' 102' ' ' LEU . 45.0 p -141.49 -35.89 0.45 Allowed 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 121.018 -0.273 . . . . 0.0 111.262 179.646 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 3.6 t0 74.87 27.53 1.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.003 0.43 . . . . 0.0 110.356 -179.434 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 105' ' ' SER . . . . . 0.436 ' HB3' ' CZ ' ' C' ' 21' ' ' TYR . 13.8 m -65.86 -10.18 35.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.281 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 106' ' ' SER . . . . . 0.42 ' CB ' ' O ' ' D' ' 105' ' ' SER . 3.9 t 81.63 121.7 0.05 OUTLIER 'General case' 0 C--O 1.233 0.196 0 CA-C-O 121.049 0.452 . . . . 0.0 110.996 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -54.03 -23.85 15.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.868 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.5 -54.23 48.01 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.055 0.455 . . . . 0.0 109.878 179.382 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 109' ' ' ASP . . . . . 0.533 ' O ' HD12 ' D' ' 113' ' ' LEU . 8.6 m-20 -59.85 -40.37 88.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.65 178.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 110' ' ' LEU . . . . . 0.92 HD22 HD22 ' D' ' 96' ' ' LEU . 26.5 mt -59.66 -48.04 83.25 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.008 178.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 111' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -51.51 -44.72 62.66 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.788 179.724 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 112' ' ' PHE . . . . . 0.664 ' O ' HG23 ' D' ' 116' ' ' VAL . 4.7 t80 -60.51 -42.71 96.96 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.762 179.811 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 113' ' ' LEU . . . . . 0.697 HD11 ' CD1' ' C' ' 17' ' ' LEU . 0.4 OUTLIER -71.93 -37.9 69.95 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.401 -179.517 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' D' D ' 114' ' ' HIS . . . . . 0.706 ' HA ' HD21 ' D' ' 93' ' ' LEU . 52.8 m80 -58.28 -34.38 70.47 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 178.302 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 115' ' ' SER . . . . . . . . . . . . . 22.5 t -74.75 -37.15 62.56 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 178.366 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 116' ' ' VAL . . . . . 0.937 HG11 ' CB ' ' C' ' 14' ' ' ALA . 43.0 t -61.87 -26.45 39.94 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 CA-C-N 115.261 -0.881 . . . . 0.0 109.873 178.451 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 117' ' ' PHE . . . . . 0.74 ' CD1' HG13 ' D' ' 89' ' ' VAL . 33.3 m-85 -99.14 -30.45 12.29 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.996 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 118' ' ' GLN . . . . . 0.543 HE22 ' HB3' ' D' ' 114' ' ' HIS . 0.0 OUTLIER -65.1 -28.79 69.69 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.377 -179.486 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -43.09 128.89 4.56 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.961 0.41 . . . . 0.0 111.64 -179.42 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 120' ' ' GLN . . . . . . . . . . . . . 9.1 tp60 -69.91 -49.02 56.15 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.699 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 121' ' ' HIS . . . . . . . . . . . . . 54.2 m80 -55.87 -34.1 65.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.432 179.538 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 122' ' ' LEU . . . . . 0.855 HD22 ' O ' ' D' ' 116' ' ' VAL . 52.6 tp -55.98 -49.28 74.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.139 179.56 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 123' ' ' HIS . . . . . 0.792 ' HA ' HD12 ' D' ' 126' ' ' LEU . 11.0 m-70 -53.01 -26.94 17.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.227 179.096 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 124' ' ' THR . . . . . 0.712 HG22 HD11 ' D' ' 128' ' ' LEU . 6.5 m -75.98 -33.83 59.76 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.881 179.239 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 125' ' ' LEU . . . . . 0.776 HD12 HD12 ' D' ' 122' ' ' LEU . 16.2 mt -65.37 -44.71 86.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.275 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 126' ' ' LEU . . . . . 0.82 ' CB ' ' HB1' ' D' ' 85' ' ' ALA . 0.2 OUTLIER -71.59 -39.48 70.51 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.694 0.283 . . . . 0.0 110.961 -179.737 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' D' D ' 127' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -59.84 -53.12 61.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.082 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 128' ' ' LEU . . . . . 0.712 HD11 HG22 ' D' ' 124' ' ' THR . 4.7 mt -70.81 -33.15 70.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.835 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 129' ' ' TYR . . . . . 0.473 ' HH ' ' HG ' ' C' ' 46' ' ' SER . 2.2 t80 -55.99 -51.83 66.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.045 0.45 . . . . 0.0 110.688 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 130' ' ' ASP . . . . . 0.66 ' OD2' ' HB2' ' D' ' 85' ' ' ALA . 39.9 m-20 -76.86 -29.88 56.05 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.149 179.571 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 131' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.41 -48.61 81.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.909 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 132' ' ' ILE . . . . . 0.596 HD12 ' O ' ' D' ' 128' ' ' LEU . 2.9 mt -74.98 -39.5 44.55 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 CA-C-O 121.024 0.44 . . . . 0.0 110.616 179.709 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 133' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 . . . . . 0 N--CA 1.452 -0.328 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.957 -179.92 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.408 0 CA-C-O 120.631 0.253 . . . . 0.0 110.322 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.6 tttm -63.73 -39.17 93.63 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 179.059 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -74.49 -28.94 61.23 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.926 178.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.632 ' HB3' HG22 ' B' ' 116' ' ' VAL . 96.0 m-20 -79.79 -30.05 40.51 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.473 179.591 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.696 HG22 ' CE1' ' A' ' 44' ' ' PHE . 1.5 p -73.03 -40.4 65.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.52 179.59 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.53 ' HA ' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -71.06 -43.14 68.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.246 179.517 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.5 tpm_? -71.2 -24.01 62.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.99 179.121 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.791 ' CB ' HG11 ' B' ' 116' ' ' VAL . . . -78.62 -53.65 6.95 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.64 179.049 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.847 ' O ' HD12 ' A' ' 41' ' ' ILE . 0.4 OUTLIER -63.24 -28.73 70.23 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.858 179.637 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -73.87 -44.26 55.99 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-O 121.067 0.461 . . . . 0.0 110.087 179.151 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.908 HD22 ' CE1' ' A' ' 21' ' ' TYR . 1.4 mt -61.5 -49.44 76.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.69 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 1.032 HD22 HG11 ' B' ' 92' ' ' VAL . 1.2 mt -61.94 -35.7 79.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.454 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.501 ' HG3' HG21 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -58.02 -43.75 86.91 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.248 0.547 . . . . 0.0 110.063 179.197 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.42 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 5.3 mt-10 -73.37 -33.22 64.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.847 179.065 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.908 ' CE1' HD22 ' A' ' 17' ' ' LEU . 6.8 m-30 -64.29 -48.29 76.26 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.389 179.698 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.535 ' HB3' HD13 ' A' ' 37' ' ' ILE . 3.8 ptm180 -59.3 -44.03 92.57 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.779 0.323 . . . . 0.0 110.403 179.533 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.429 ' N ' ' HG3' ' A' ' 22' ' ' ARG . 26.8 m -57.91 -32.86 68.15 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.362 179.279 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.42 ' HG3' ' O ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -111.59 13.89 21.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.177 179.721 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.797 ' CD1' HD11 ' A' ' 37' ' ' ILE . 0.2 OUTLIER -100.18 -64.1 1.07 Allowed 'General case' 0 CA--C 1.52 -0.201 0 CA-C-O 121.082 0.468 . . . . 0.0 110.367 179.699 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.424 ' HB2' ' HB2' ' A' ' 34' ' ' ARG . 35.6 t -64.91 -148.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.387 -179.742 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.41 ' OE1' ' NH1' ' A' ' 31' ' ' ARG . 1.0 OUTLIER 54.79 24.88 6.04 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 121.159 0.504 . . . . 0.0 110.399 -179.548 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.606 HG23 ' N ' ' A' ' 29' ' ' GLU . 6.2 t -149.01 -55.36 0.19 Allowed 'General case' 0 CA--C 1.516 -0.329 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.516 -179.218 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.606 ' N ' HG23 ' A' ' 28' ' ' THR . 16.6 pt-20 -176.59 28.03 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.398 -179.484 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.484 ' HB3' ' HB3' ' A' ' 33' ' ' LEU . 0.1 OUTLIER -138.73 53.69 1.77 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.901 0.381 . . . . 0.0 110.713 -179.778 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.41 ' NH1' ' OE1' ' A' ' 27' ' ' GLN . 15.9 mmm180 -66.31 -53.39 37.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.15 0.5 . . . . 0.0 110.03 179.694 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 20.5 tp60 -59.98 -47.42 85.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.518 178.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.693 HD21 ' HB3' ' B' ' 95' ' ' SER . 13.7 tp -55.27 -33.58 63.33 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.121 178.803 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.693 ' HA ' HD12 ' A' ' 37' ' ' ILE . 6.4 ttp180 -60.38 -48.96 79.49 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.285 179.033 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.4 m -57.96 -31.56 66.99 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.256 178.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.456 ' HB2' ' HB3' ' B' ' 91' ' ' GLN . 1.1 p -65.89 -51.52 57.99 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.093 0.473 . . . . 0.0 110.547 179.536 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.84 HG23 ' HB3' ' A' ' 18' ' ' LEU . 6.2 mt -55.31 -42.94 69.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.263 0.554 . . . . 0.0 109.552 178.815 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -55.45 -43.68 75.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.986 -1.006 . . . . 0.0 110.835 179.529 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.454 ' HD2' ' HA ' ' A' ' 36' ' ' SER . 13.3 mtt180 -55.57 -50.39 70.2 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-O 121.309 0.576 . . . . 0.0 109.924 179.382 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.573 HG12 ' CD2' ' A' ' 44' ' ' PHE . 86.6 t -59.93 -34.17 55.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.478 179.707 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.847 HD12 ' O ' ' A' ' 15' ' ' LEU . 6.7 mm -70.24 -54.61 17.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.55 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 26.2 t -62.45 -47.96 81.75 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-O 120.849 0.357 . . . . 0.0 110.947 -179.134 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.808 HG23 ' CE2' ' B' ' 129' ' ' TYR . 8.7 mt -59.83 -32.92 50.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.206 179.502 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.787 ' HB3' HD22 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -71.95 -56.7 5.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.056 -0.52 . . . . 0.0 112.141 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.477 ' HG2' ' O ' ' A' ' 41' ' ' ILE . 20.7 pt20 -78.16 -0.65 29.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 112.002 -178.495 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.411 ' OG ' ' CE1' ' B' ' 129' ' ' TYR . 0.2 OUTLIER -51.62 130.96 29.36 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.824 0.345 . . . . 0.0 110.822 179.898 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -50.44 -34.55 25.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.569 -179.472 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.79 ' O ' HD12 ' A' ' 48' ' ' LEU . 1.7 tp -79.25 -43.55 23.52 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.261 -179.74 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.505 ' CE2' HD11 ' A' ' 53' ' ' ILE . 28.8 t80 -51.17 -54.61 23.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.691 0.281 . . . . 0.0 111.285 -179.597 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -54.09 -38.91 65.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.949 0.404 . . . . 0.0 110.712 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.639 ' CB ' HG23 ' D' ' 132' ' ' ILE . . . -58.94 -46.84 87.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.644 179.629 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.574 HD22 HD12 ' B' ' 128' ' ' LEU . 3.4 mt -60.32 -45.97 91.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.39 179.459 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.563 HG12 HD13 ' B' ' 125' ' ' LEU . 50.1 mt -54.45 -36.44 34.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.662 179.483 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.16 -36.1 74.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.255 179.344 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.736 HG22 ' HB2' ' A' ' 59' ' ' TYR . 99.7 mt -63.38 -43.42 98.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.722 179.597 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -52.53 -22.18 4.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.49 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.421 ' O ' ' CD1' ' A' ' 58' ' ' PHE . 36.2 mt-10 -45.08 -34.57 2.64 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.394 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.421 ' CD1' ' O ' ' A' ' 57' ' ' GLU . 27.7 m-85 -157.58 25.5 0.28 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.622 -179.715 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.858 ' CE2' HD11 ' C' ' 63' ' ' LEU . 11.6 m-85 -129.93 70.44 1.43 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.703 179.601 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.456 ' HB2' ' HB ' ' C' ' 62' ' ' THR . 1.5 mt-10 -58.58 94.48 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.837 0.351 . . . . 0.0 111.043 -179.769 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.611 HG12 HG13 ' C' ' 61' ' ' VAL . 0.0 OUTLIER -72.94 104.51 2.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.117 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.8 m -87.01 120.56 28.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.483 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.442 ' CD1' ' CE2' ' C' ' 59' ' ' TYR . 0.1 OUTLIER -91.41 129.64 37.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 179.897 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.664 HD23 ' N ' ' A' ' 64' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.36 -179.716 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 82' ' ' LEU . . . . . 0.656 ' O ' HD23 ' B' ' 82' ' ' LEU . 9.3 tt . . . . . 0 N--CA 1.448 -0.568 0 CA-C-O 121.242 0.544 . . . . 0.0 110.195 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 83' ' ' LEU . . . . . 0.997 HD23 ' H ' ' B' ' 84' ' ' ALA . 0.7 OUTLIER -67.96 -39.18 83.42 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.959 -179.768 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 0.997 ' H ' HD23 ' B' ' 83' ' ' LEU . . . -75.47 -21.51 58.03 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.454 -178.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 85' ' ' ALA . . . . . 0.98 ' HB1' ' HB2' ' B' ' 126' ' ' LEU . . . -52.55 -24.61 8.52 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.134 0.492 . . . . 0.0 110.207 179.44 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -124.8 -42.39 2.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.544 178.697 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 87' ' ' ARG . . . . . 0.633 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 33.6 ttt85 -61.05 -46.63 89.93 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.195 178.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 88' ' ' ALA . . . . . 0.829 ' HB2' ' HB1' ' B' ' 84' ' ' ALA . . . -69.02 -46.06 68.94 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.843 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 89' ' ' VAL . . . . . 0.791 HG13 ' CD1' ' B' ' 117' ' ' PHE . 60.7 t -56.83 -50.34 75.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.519 179.416 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 15.6 t -70.93 -21.15 62.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.683 179.358 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 91' ' ' GLN . . . . . 0.456 ' HB3' ' HB2' ' A' ' 36' ' ' SER . 0.3 OUTLIER -67.51 -57.68 6.08 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-O 121.389 0.614 . . . . 0.0 110.073 179.744 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 92' ' ' VAL . . . . . 1.032 HG11 HD22 ' A' ' 18' ' ' LEU . 4.9 t -68.59 -27.97 38.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.157 179.33 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 93' ' ' LEU . . . . . 0.662 HD11 ' HB2' ' B' ' 117' ' ' PHE . 0.7 OUTLIER -70.88 -28.5 64.61 Favored 'General case' 0 C--O 1.231 0.096 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 179.411 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -88.08 -37.04 16.58 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.822 0.344 . . . . 0.0 111.465 -179.615 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 95' ' ' SER . . . . . 0.693 ' HB3' HD21 ' A' ' 33' ' ' LEU . 2.3 m -79.84 -16.76 54.81 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.233 -0.439 . . . . 0.0 112.0 -179.474 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 96' ' ' LEU . . . . . 0.897 HD22 ' CD2' ' B' ' 110' ' ' LEU . 0.1 OUTLIER -39.5 -52.14 2.14 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -179.447 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -65.4 -30.44 71.26 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.123 -179.189 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 98' ' ' GLU . . . . . 0.827 ' O ' ' HB3' ' B' ' 101' ' ' ALA . 0.1 OUTLIER -70.97 -35.98 72.37 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 178.334 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 99' ' ' ILE . . . . . 0.719 HG23 HG21 ' B' ' 103' ' ' THR . 59.2 mt -61.57 -49.32 84.87 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.718 0 CA-C-N 114.646 -1.161 . . . . 0.0 109.562 178.357 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 100' ' ' HIS . . . . . 0.46 ' HB2' ' CD1' ' B' ' 110' ' ' LEU . 8.6 t-160 -53.52 -37.5 62.85 Favored 'General case' 0 CA--C 1.516 -0.354 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 177.725 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 101' ' ' ALA . . . . . 0.827 ' HB3' ' O ' ' B' ' 98' ' ' GLU . . . -55.11 -44.95 75.44 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 113.889 -1.505 . . . . 0.0 111.973 179.437 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 102' ' ' LEU . . . . . 0.79 HD21 ' OE2' ' B' ' 98' ' ' GLU . 0.5 OUTLIER -121.36 31.37 6.35 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 113.229 0.825 . . . . 0.0 113.229 -177.218 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 103' ' ' THR . . . . . 0.719 HG21 HG23 ' B' ' 99' ' ' ILE . 44.2 p -146.19 -38.47 0.23 Allowed 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.843 -0.343 . . . . 0.0 111.622 179.439 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 1.8 t0 75.8 28.69 0.87 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.935 0.398 . . . . 0.0 110.18 -179.202 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 105' ' ' SER . . . . . 0.407 ' O ' ' CB ' ' B' ' 106' ' ' SER . 3.7 m -60.63 -15.2 25.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.551 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 106' ' ' SER . . . . . 0.407 ' CB ' ' O ' ' B' ' 105' ' ' SER . 0.3 OUTLIER 79.11 127.25 0.05 OUTLIER 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 120.873 0.368 . . . . 0.0 110.643 -179.767 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 107' ' ' GLU . . . . . 0.535 ' HA ' HD12 ' B' ' 110' ' ' LEU . 3.3 mt-10 -57.48 -20.79 33.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.23 -179.759 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 10.1 mmtm -63.01 -55.39 26.09 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.995 0.426 . . . . 0.0 110.195 179.465 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 109' ' ' ASP . . . . . 0.689 ' O ' HD12 ' B' ' 113' ' ' LEU . 15.9 m-20 -66.42 -34.98 79.16 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.751 178.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 110' ' ' LEU . . . . . 0.897 ' CD2' HD22 ' B' ' 96' ' ' LEU . 14.3 mt -67.0 -37.23 83.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.37 179.369 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -65.41 -40.84 93.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.307 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 112' ' ' PHE . . . . . 0.526 ' O ' HG23 ' B' ' 116' ' ' VAL . 0.4 OUTLIER -60.6 -47.3 86.8 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.169 179.435 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 113' ' ' LEU . . . . . 0.719 HD11 ' CD1' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -68.97 -39.34 79.5 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.219 179.537 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 114' ' ' HIS . . . . . 0.569 ' O ' ' HG2' ' B' ' 118' ' ' GLN . 0.8 OUTLIER -53.2 -38.82 63.19 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 178.939 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 115' ' ' SER . . . . . 0.503 ' HA ' ' HB2' ' B' ' 118' ' ' GLN . 1.5 m -74.81 -34.79 62.43 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.613 178.594 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 116' ' ' VAL . . . . . 0.814 ' O ' HD22 ' B' ' 122' ' ' LEU . 29.5 t -56.23 -23.79 16.83 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.071 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.443 178.468 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 117' ' ' PHE . . . . . 0.791 ' CD1' HG13 ' B' ' 89' ' ' VAL . 68.9 m-85 -108.26 -20.27 13.2 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.183 179.375 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 118' ' ' GLN . . . . . 0.569 ' HG2' ' O ' ' B' ' 114' ' ' HIS . 6.2 mm100 -61.13 -39.63 90.75 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-O 120.995 0.426 . . . . 0.0 110.596 179.433 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -44.23 138.63 2.96 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.966 -179.164 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -81.57 -42.88 19.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.44 179.506 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -55.91 -33.77 64.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.339 179.301 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 122' ' ' LEU . . . . . 0.814 HD22 ' O ' ' B' ' 116' ' ' VAL . 55.1 tp -55.38 -46.43 76.51 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.846 179.641 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 123' ' ' HIS . . . . . 0.679 ' HA ' ' CD1' ' B' ' 126' ' ' LEU . 0.0 OUTLIER -53.2 -28.08 24.89 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 121.165 0.507 . . . . 0.0 109.872 178.66 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 124' ' ' THR . . . . . 0.547 HG21 HG23 ' A' ' 61' ' ' VAL . 2.8 m -77.16 -32.62 56.34 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.167 179.381 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 125' ' ' LEU . . . . . 0.738 HD12 HD12 ' B' ' 122' ' ' LEU . 20.9 mt -68.2 -43.77 77.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.31 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 126' ' ' LEU . . . . . 0.98 ' HB2' ' HB1' ' B' ' 85' ' ' ALA . 0.2 OUTLIER -73.39 -37.18 66.05 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.735 179.925 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.68 -53.09 62.09 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.324 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 128' ' ' LEU . . . . . 0.863 HD21 ' CD2' ' C' ' 59' ' ' TYR . 4.5 mt -70.99 -35.15 71.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.145 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 129' ' ' TYR . . . . . 0.808 ' CE2' HG23 ' A' ' 43' ' ' ILE . 0.4 OUTLIER -55.17 -50.75 68.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.038 -179.451 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 130' ' ' ASP . . . . . 0.782 ' OD2' ' HB2' ' B' ' 85' ' ' ALA . 14.2 m-20 -75.72 -33.54 60.31 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.327 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -54.88 -50.14 69.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.04 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 132' ' ' ILE . . . . . 0.677 HD12 ' O ' ' B' ' 128' ' ' LEU . 2.0 mt -76.75 -38.69 30.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.968 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 133' ' ' ASN . . . . . 0.46 ' HB2' HD23 ' A' ' 48' ' ' LEU . 8.7 t-20 -65.79 -25.78 67.4 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.558 -179.207 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 134' ' ' THR . . . . . 0.698 HG22 ' HD3' ' B' ' 135' ' ' LYS . 90.1 m -78.97 -49.68 12.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.834 0.35 . . . . 0.0 110.824 -179.771 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 135' ' ' LYS . . . . . 0.698 ' HD3' HG22 ' B' ' 134' ' ' THR . 0.2 OUTLIER 165.57 -26.36 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.928 179.937 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 10.7 p . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.996 -179.829 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' C' C ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.203 0 CA-C-O 120.343 0.116 . . . . 0.0 110.726 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 8' ' ' LYS . . . . . 0.4 ' HG2' ' CG2' ' C' ' 53' ' ' ILE . 1.7 mmmm -69.13 -35.8 76.79 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 179.263 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -77.12 -30.67 55.32 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.518 178.428 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -79.49 -29.71 41.75 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.73 178.829 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 11' ' ' THR . . . . . 0.671 HG23 ' CD2' ' C' ' 44' ' ' PHE . 55.5 m -73.18 -50.43 22.59 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.126 179.382 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 12' ' ' GLN . . . . . 0.473 ' O ' ' HB2' ' C' ' 16' ' ' HIS . 0.1 OUTLIER -65.28 -35.72 81.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.109 179.375 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.55 -24.72 60.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.114 179.098 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 14' ' ' ALA . . . . . 0.732 ' CB ' HG11 ' D' ' 116' ' ' VAL . . . -78.57 -55.07 5.48 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 178.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 15' ' ' LEU . . . . . 0.744 ' O ' HD12 ' C' ' 41' ' ' ILE . 0.4 OUTLIER -61.01 -26.71 67.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.229 179.426 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' C' C ' 16' ' ' HIS . . . . . 0.473 ' HB2' ' O ' ' C' ' 12' ' ' GLN . 17.8 t-80 -73.86 -50.45 20.24 Favored 'General case' 0 CA--C 1.519 -0.23 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 178.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 17' ' ' LEU . . . . . 0.853 HD22 ' CZ ' ' C' ' 21' ' ' TYR . 1.0 OUTLIER -56.15 -39.25 72.02 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.345 178.693 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' C' C ' 18' ' ' LEU . . . . . 0.831 HD11 ' HZ ' ' D' ' 117' ' ' PHE . 50.3 mt -62.77 -44.52 95.96 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.641 -1.163 . . . . 0.0 110.822 179.587 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 19' ' ' GLU . . . . . 0.419 ' CG ' HG21 ' C' ' 41' ' ' ILE . 3.9 mt-10 -59.15 -34.93 72.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.982 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 20' ' ' GLU . . . . . 0.423 ' O ' ' HG3' ' C' ' 24' ' ' LYS . 1.0 OUTLIER -75.5 -39.99 57.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.973 0.416 . . . . 0.0 110.504 179.866 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' C' C ' 21' ' ' TYR . . . . . 0.853 ' CZ ' HD22 ' C' ' 17' ' ' LEU . 21.9 m-85 -66.65 -47.43 72.56 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.631 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 22' ' ' ARG . . . . . 0.529 ' HG3' ' N ' ' C' ' 23' ' ' SER . 0.0 OUTLIER -57.8 -48.26 80.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.783 179.808 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' C' C ' 23' ' ' SER . . . . . 0.529 ' N ' ' HG3' ' C' ' 22' ' ' ARG . 1.3 p -56.5 -37.2 70.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.033 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 24' ' ' LYS . . . . . 0.454 ' NZ ' ' HB ' ' D' ' 103' ' ' THR . 0.0 OUTLIER -101.52 8.73 41.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.448 179.886 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' C' C ' 25' ' ' LEU . . . . . 0.878 HD12 HD11 ' C' ' 37' ' ' ILE . 0.2 OUTLIER -93.38 -62.56 1.35 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.041 0.448 . . . . 0.0 111.483 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' C' C ' 26' ' ' SER . . . . . 0.686 ' HB2' ' HA ' ' C' ' 31' ' ' ARG . 27.7 p -58.45 -18.36 28.04 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.706 -0.679 . . . . 0.0 112.301 -178.586 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 27' ' ' GLN . . . . . 0.424 ' O ' ' HB ' ' C' ' 28' ' ' THR . 1.1 mm100 -76.4 51.34 0.71 Allowed 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.465 -179.272 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 28' ' ' THR . . . . . 0.484 HG23 ' N ' ' C' ' 29' ' ' GLU . 3.1 t -176.15 -55.74 0.01 OUTLIER 'General case' 0 C--N 1.334 -0.09 0 CA-C-O 120.683 0.278 . . . . 0.0 111.724 179.299 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 29' ' ' GLU . . . . . 0.484 ' N ' HG23 ' C' ' 28' ' ' THR . 17.5 pt-20 -178.01 26.33 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.752 -179.554 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 30' ' ' ASP . . . . . 0.465 ' HB2' HD22 ' C' ' 25' ' ' LEU . 5.3 m-20 -131.81 50.16 2.26 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.891 -179.814 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 31' ' ' ARG . . . . . 0.686 ' HA ' ' HB2' ' C' ' 26' ' ' SER . 22.3 mmm180 -66.92 -51.33 56.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.487 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 8.0 tp60 -59.12 -45.35 91.13 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.229 0.538 . . . . 0.0 109.774 178.668 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 33' ' ' LEU . . . . . 0.738 HD21 ' HB3' ' D' ' 95' ' ' SER . 7.2 tp -55.56 -37.34 67.88 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.352 179.022 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 34' ' ' ARG . . . . . 0.663 ' HB2' ' HB3' ' C' ' 26' ' ' SER . 6.7 ttt180 -60.13 -42.28 94.47 Favored 'General case' 0 CA--C 1.516 -0.346 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 178.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 10.8 t -55.72 -39.92 71.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.969 178.492 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 36' ' ' SER . . . . . 0.423 ' O ' ' HB2' ' C' ' 39' ' ' ARG . 2.2 m -65.55 -51.52 59.26 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.244 179.13 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 37' ' ' ILE . . . . . 0.878 HD11 HD12 ' C' ' 25' ' ' LEU . 40.6 mt -57.13 -36.39 51.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 178.885 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -62.36 -40.74 97.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.143 179.314 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 39' ' ' ARG . . . . . 0.651 ' HB3' ' HB1' ' D' ' 88' ' ' ALA . 17.6 mtt180 -55.51 -50.49 69.82 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.426 179.075 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 40' ' ' VAL . . . . . 0.551 ' O ' ' HB2' ' C' ' 44' ' ' PHE . 19.7 t -61.06 -30.73 48.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.87 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 41' ' ' ILE . . . . . 0.744 HD12 ' O ' ' C' ' 15' ' ' LEU . 12.5 mm -69.14 -51.76 40.33 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 N-CA-C 111.827 0.306 . . . . 0.0 111.827 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 11.4 t -65.38 -48.97 71.05 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-O 120.927 0.394 . . . . 0.0 111.199 -178.803 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 43' ' ' ILE . . . . . 0.639 HG23 ' CD2' ' D' ' 129' ' ' TYR . 9.2 mt -59.47 -34.37 54.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.543 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.54 179.759 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 44' ' ' PHE . . . . . 0.691 ' HB3' HD22 ' C' ' 15' ' ' LEU . 3.0 m-85 -71.9 -54.05 11.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.086 -0.506 . . . . 0.0 112.26 -179.694 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 45' ' ' GLN . . . . . 0.469 ' HG2' ' O ' ' C' ' 41' ' ' ILE . 17.3 pt20 -79.5 -0.96 35.4 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -178.427 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.41 141.78 18.96 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.839 0.352 . . . . 0.0 110.853 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -60.59 -39.69 89.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.532 -179.597 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 48' ' ' LEU . . . . . 0.868 ' O ' HD12 ' C' ' 48' ' ' LEU . 1.2 tp -77.75 -43.04 32.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.17 -179.684 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 49' ' ' PHE . . . . . 0.776 ' CE2' HD11 ' C' ' 53' ' ' ILE . 82.8 t80 -50.92 -54.26 25.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.08 -179.417 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 50' ' ' GLN . . . . . 0.469 HE21 ' HB3' ' C' ' 50' ' ' GLN . 3.8 mm100 -55.51 -35.81 66.02 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.875 0.369 . . . . 0.0 110.446 179.424 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 51' ' ' ALA . . . . . 0.49 ' CB ' HG23 ' B' ' 132' ' ' ILE . . . -58.91 -48.6 80.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.471 179.436 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 52' ' ' LEU . . . . . 0.462 HD21 ' HB3' ' D' ' 128' ' ' LEU . 5.9 mt -57.61 -43.3 84.64 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.077 179.192 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 53' ' ' ILE . . . . . 0.776 HD11 ' CE2' ' C' ' 49' ' ' PHE . 37.0 mt -56.08 -36.03 43.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.164 179.18 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.07 -28.76 62.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.545 179.328 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 55' ' ' ILE . . . . . 0.615 HG22 ' HB2' ' C' ' 59' ' ' TYR . 70.2 mt -74.82 -45.15 44.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.158 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 56' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -49.71 -22.48 1.39 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.887 -179.644 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 57' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -43.21 -46.6 6.14 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.742 0.306 . . . . 0.0 111.481 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 58' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -145.33 33.09 1.08 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.017 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 59' ' ' TYR . . . . . 0.863 ' CD2' HD21 ' B' ' 128' ' ' LEU . 52.6 m-85 -133.99 69.74 1.46 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.512 179.623 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -60.4 96.18 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 61' ' ' VAL . . . . . 0.611 HG13 HG12 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -72.98 96.97 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.555 179.897 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' C' C ' 62' ' ' THR . . . . . 0.456 ' HB ' ' HB2' ' A' ' 60' ' ' GLU . 11.8 m -74.07 119.98 19.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.895 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 63' ' ' LEU . . . . . 0.858 HD11 ' CE2' ' A' ' 59' ' ' TYR . 1.1 mp -89.8 127.2 35.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.668 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 64' ' ' LEU . . . . . 0.621 ' N ' HD23 ' C' ' 64' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.331 -0.22 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 82' ' ' LEU . . . . . 0.82 ' N ' HD23 ' D' ' 82' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 121.366 0.603 . . . . 0.0 109.411 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 83' ' ' LEU . . . . . 0.868 HD23 ' H ' ' D' ' 84' ' ' ALA . 0.4 OUTLIER -55.8 -42.4 75.58 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.251 -179.85 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' D' D ' 84' ' ' ALA . . . . . 0.893 ' HB1' ' HB2' ' D' ' 88' ' ' ALA . . . -113.6 1.57 15.0 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.675 -0.693 . . . . 0.0 112.405 -177.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 85' ' ' ALA . . . . . 0.79 ' O ' HD13 ' D' ' 126' ' ' LEU . . . -53.08 -25.92 14.46 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 108.145 -1.058 . . . . 0.0 108.145 177.391 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 86' ' ' GLU . . . . . 0.446 ' HG3' ' CE1' ' D' ' 123' ' ' HIS . 0.6 OUTLIER -120.25 -31.37 4.4 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 114.642 -1.163 . . . . 0.0 109.533 178.126 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' D' D ' 87' ' ' ARG . . . . . 0.882 ' HB2' ' HA ' ' D' ' 84' ' ' ALA . 0.9 OUTLIER -66.83 -53.95 27.41 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 121.162 0.506 . . . . 0.0 109.947 179.04 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' D' D ' 88' ' ' ALA . . . . . 0.893 ' HB2' ' HB1' ' D' ' 84' ' ' ALA . . . -56.3 -41.63 76.25 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.497 179.729 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 89' ' ' VAL . . . . . 0.867 HG13 ' CD1' ' D' ' 117' ' ' PHE . 98.7 t -68.37 -50.37 57.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.804 178.694 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 5.5 t -62.7 -24.85 67.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.537 179.303 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 91' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -67.54 -51.02 55.8 Favored 'General case' 0 CA--C 1.516 -0.354 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 179.382 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 92' ' ' VAL . . . . . 0.798 HG11 ' CD2' ' C' ' 18' ' ' LEU . 11.9 t -74.35 -28.49 22.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.894 178.791 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 93' ' ' LEU . . . . . 0.888 HD21 ' HA ' ' D' ' 114' ' ' HIS . 1.4 mt -69.16 -27.07 65.2 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.835 179.249 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.31 -43.42 10.95 Favored 'General case' 0 C--N 1.334 -0.093 0 CA-C-O 120.925 0.393 . . . . 0.0 111.175 -179.815 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 95' ' ' SER . . . . . 0.738 ' HB3' HD21 ' C' ' 33' ' ' LEU . 0.5 OUTLIER -79.69 -16.93 54.79 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.993 -179.494 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' D' D ' 96' ' ' LEU . . . . . 0.649 HD22 HD22 ' D' ' 110' ' ' LEU . 0.1 OUTLIER -41.22 -50.49 3.6 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.022 0.439 . . . . 0.0 111.853 -179.526 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' D' D ' 97' ' ' GLU . . . . . 0.422 ' HA ' HD13 ' D' ' 110' ' ' LEU . 51.5 mt-10 -68.94 -28.71 66.9 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.058 -179.623 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 98' ' ' GLU . . . . . 0.795 ' O ' ' HB3' ' D' ' 101' ' ' ALA . 0.2 OUTLIER -70.49 -34.61 72.55 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 178.119 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' D' D ' 99' ' ' ILE . . . . . 0.83 HG12 HD11 ' C' ' 25' ' ' LEU . 73.0 mt -60.08 -49.57 83.54 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.681 0 CA-C-N 114.591 -1.186 . . . . 0.0 109.449 178.146 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 100' ' ' HIS . . . . . 0.885 ' HB2' HD11 ' D' ' 110' ' ' LEU . 0.2 OUTLIER -56.35 -34.95 67.11 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 178.232 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' D' D ' 101' ' ' ALA . . . . . 0.795 ' HB3' ' O ' ' D' ' 98' ' ' GLU . . . -55.67 -43.92 76.78 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.577 -1.192 . . . . 0.0 111.679 179.366 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 102' ' ' LEU . . . . . 0.676 HD12 HG23 ' D' ' 103' ' ' THR . 0.3 OUTLIER -118.4 24.83 10.69 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -177.529 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' D' D ' 103' ' ' THR . . . . . 0.676 HG23 HD12 ' D' ' 102' ' ' LEU . 37.7 p -141.63 -23.7 0.72 Allowed 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.095 0.405 . . . . 0.0 112.095 179.748 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 1.8 t0 67.46 23.83 8.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.078 0.466 . . . . 0.0 110.557 -179.368 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 105' ' ' SER . . . . . 0.42 ' HB3' ' CZ ' ' C' ' 21' ' ' TYR . 32.7 m -62.3 -16.1 51.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.119 179.77 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 106' ' ' SER . . . . . . . . . . . . . 4.2 t 78.9 124.64 0.04 OUTLIER 'General case' 0 C--O 1.232 0.163 0 CA-C-O 121.017 0.437 . . . . 0.0 111.043 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -54.16 -24.17 17.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.854 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 4.8 mmtt -59.02 -54.56 45.76 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.026 0.441 . . . . 0.0 110.034 179.455 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 109' ' ' ASP . . . . . 0.479 ' O ' HD12 ' D' ' 113' ' ' LEU . 3.3 m-20 -61.5 -40.37 94.35 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.833 179.036 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 110' ' ' LEU . . . . . 0.885 HD11 ' HB2' ' D' ' 100' ' ' HIS . 83.9 mt -61.96 -39.85 93.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.351 179.323 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 111' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -60.06 -43.1 95.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.406 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 112' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -58.72 -47.25 85.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.174 179.563 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 113' ' ' LEU . . . . . 0.695 HD23 ' HB1' ' C' ' 14' ' ' ALA . 0.5 OUTLIER -70.22 -33.01 71.15 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.425 179.861 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' D' D ' 114' ' ' HIS . . . . . 0.888 ' HA ' HD21 ' D' ' 93' ' ' LEU . 0.1 OUTLIER -57.57 -33.96 68.7 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 178.189 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' D' D ' 115' ' ' SER . . . . . 0.429 ' HA ' ' HB2' ' D' ' 118' ' ' GLN . 14.8 m -74.94 -38.88 61.64 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.013 178.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 116' ' ' VAL . . . . . 0.847 ' O ' HD22 ' D' ' 122' ' ' LEU . 54.0 t -57.26 -23.55 19.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.311 -0.859 . . . . 0.0 109.702 178.289 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 117' ' ' PHE . . . . . 0.867 ' CD1' HG13 ' D' ' 89' ' ' VAL . 25.8 m-85 -103.45 -37.58 7.53 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.585 -179.626 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 118' ' ' GLN . . . . . 0.429 ' HB2' ' HA ' ' D' ' 115' ' ' SER . 0.8 OUTLIER -55.23 -32.91 62.67 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.49 -178.963 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -46.09 138.96 4.83 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.636 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 120' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -80.88 -45.67 16.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.769 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 121' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -55.78 -33.95 64.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.553 179.628 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 122' ' ' LEU . . . . . 0.847 HD22 ' O ' ' D' ' 116' ' ' VAL . 53.9 tp -55.58 -49.57 72.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.307 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 123' ' ' HIS . . . . . 0.909 ' HA ' HD12 ' D' ' 126' ' ' LEU . 93.4 m-70 -50.83 -27.47 7.43 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.192 0.52 . . . . 0.0 110.034 178.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 124' ' ' THR . . . . . 0.569 HG21 ' CG2' ' C' ' 61' ' ' VAL . 2.0 m -76.56 -35.86 57.95 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.848 179.174 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 125' ' ' LEU . . . . . 0.718 HD13 HG12 ' C' ' 53' ' ' ILE . 11.9 mt -67.21 -37.63 83.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.496 179.441 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 126' ' ' LEU . . . . . 0.909 HD12 ' HA ' ' D' ' 123' ' ' HIS . 0.9 OUTLIER -68.93 -49.33 59.01 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.669 179.784 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' D' D ' 127' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.79 -53.28 59.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.285 -179.767 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 128' ' ' LEU . . . . . 0.796 HD21 ' CD2' ' A' ' 59' ' ' TYR . 52.5 mt -62.53 -36.98 84.32 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.18 -179.669 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 129' ' ' TYR . . . . . 0.639 ' CD2' HG23 ' C' ' 43' ' ' ILE . 0.3 OUTLIER -55.8 -52.25 64.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.887 0.375 . . . . 0.0 110.96 -179.344 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' D' D ' 130' ' ' ASP . . . . . 0.453 ' HB3' ' CD2' ' D' ' 82' ' ' LEU . 7.8 t70 -76.19 -28.97 57.48 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.078 179.785 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.86 -54.01 47.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.847 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 132' ' ' ILE . . . . . 0.745 HD12 ' O ' ' D' ' 128' ' ' LEU . 1.6 mt -75.46 -38.15 39.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.757 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 133' ' ' ASN . . . . . 0.487 ' HB2' HD23 ' C' ' 48' ' ' LEU . 27.8 t-20 . . . . . 0 C--N 1.327 -0.392 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.215 -179.644 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.6 ttm180 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.73 -38.33 88.86 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-O 121.255 0.55 . . . . 0.0 109.525 179.006 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -74.99 -30.61 61.21 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.806 178.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -78.91 -29.59 44.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.919 179.19 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.578 HG23 ' CD2' ' A' ' 44' ' ' PHE . 58.6 m -70.08 -45.7 66.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.359 179.62 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -69.61 -38.49 77.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.291 -0.413 . . . . 0.0 109.988 179.329 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 44.4 ttt180 -71.96 -24.37 61.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.038 179.022 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.786 ' CB ' HG11 ' B' ' 116' ' ' VAL . . . -78.46 -54.8 5.77 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 121.229 0.538 . . . . 0.0 109.569 179.119 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.834 ' HA ' HD12 ' A' ' 18' ' ' LEU . 0.4 OUTLIER -63.11 -25.03 68.17 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.738 179.272 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 17.3 t-80 -72.97 -46.46 52.18 Favored 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 178.813 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.898 HD22 ' CE1' ' A' ' 21' ' ' TYR . 2.2 mt -62.06 -35.5 78.83 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.562 -0.744 . . . . 0.0 109.258 178.43 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.896 ' CD2' HG11 ' B' ' 92' ' ' VAL . 52.7 mt -61.54 -44.43 97.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.572 179.516 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -63.08 -37.48 87.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -73.47 -37.51 65.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.057 179.661 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.898 ' CE1' HD22 ' A' ' 17' ' ' LEU . 14.8 m-30 -68.18 -45.81 72.43 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.902 179.566 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.634 ' HA ' HD12 ' A' ' 37' ' ' ILE . 0.1 OUTLIER -55.1 -51.11 67.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.809 179.735 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 60.6 p -56.42 -42.79 78.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.873 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.2 ptmt -89.78 3.12 53.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.632 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 1.076 HD12 HD11 ' A' ' 37' ' ' ILE . 0.2 OUTLIER -92.14 -67.3 0.86 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.981 0.42 . . . . 0.0 111.176 -179.799 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.462 ' HB3' ' HB2' ' A' ' 34' ' ' ARG . 2.5 p -59.41 -158.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.208 -179.308 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.429 ' OE1' ' NH1' ' A' ' 31' ' ' ARG . 1.7 mp0 60.04 27.83 17.3 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 120.967 0.413 . . . . 0.0 110.537 -179.785 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.779 HG23 ' H ' ' A' ' 29' ' ' GLU . 3.5 t -150.47 -63.15 0.2 Allowed 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 121.211 0.529 . . . . 0.0 111.222 -179.693 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.779 ' H ' HG23 ' A' ' 28' ' ' THR . 17.2 pt-20 -172.79 27.92 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.323 -179.508 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.414 ' HB3' ' HB3' ' A' ' 33' ' ' LEU . 2.0 m-20 -143.17 52.56 1.36 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.657 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.429 ' NH1' ' OE1' ' A' ' 27' ' ' GLN . 12.5 mmm180 -66.08 -52.52 48.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.181 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -55.79 -47.08 77.72 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.201 0.524 . . . . 0.0 109.693 178.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.874 HD21 ' HB3' ' B' ' 95' ' ' SER . 11.0 tp -55.64 -34.06 64.59 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.798 178.8 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.462 ' HB2' ' HB3' ' A' ' 26' ' ' SER . 7.2 ttp180 -60.62 -42.63 97.23 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.491 178.826 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.9 t -62.06 -33.79 75.05 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.306 179.049 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.519 ' O ' ' HG2' ' A' ' 39' ' ' ARG . 5.6 p -65.91 -48.68 70.65 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.944 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 1.076 HD11 HD12 ' A' ' 25' ' ' LEU . 32.4 mt -60.51 -39.19 80.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.135 0.493 . . . . 0.0 109.744 179.134 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.401 ' HA ' HG12 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -62.58 -51.78 66.01 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.028 -0.987 . . . . 0.0 111.918 -179.65 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.779 ' HG3' ' HB1' ' B' ' 88' ' ' ALA . 4.5 ptp180 -55.21 -39.3 69.48 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.15 -179.61 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.433 ' O ' ' HB2' ' A' ' 44' ' ' PHE . 92.3 t -63.59 -38.01 81.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.863 178.386 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.62 HD11 ' HB3' ' A' ' 18' ' ' LEU . 9.4 mm -57.6 -56.4 15.59 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.156 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.087 179.484 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.8 p -59.71 -47.2 86.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.848 0.356 . . . . 0.0 110.555 -179.495 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.738 HG23 ' CE2' ' B' ' 129' ' ' TYR . 14.7 mt -59.89 -34.89 57.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.971 179.347 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.716 ' HB3' HD22 ' A' ' 15' ' ' LEU . 1.4 m-85 -72.56 -56.66 5.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.775 179.665 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -81.88 2.83 28.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.023 -0.535 . . . . 0.0 112.129 -178.619 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.6 p -50.12 175.57 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.844 0.354 . . . . 0.0 111.118 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -88.18 -38.38 15.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.213 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.826 ' O ' HD12 ' A' ' 48' ' ' LEU . 1.8 tp -79.72 -43.08 23.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.546 -179.619 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.59 ' HZ ' HD11 ' B' ' 122' ' ' LEU . 42.7 t80 -50.58 -56.35 12.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.103 -179.372 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -58.54 -31.84 68.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.953 0.406 . . . . 0.0 110.035 179.306 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.561 ' HB3' ' O ' ' A' ' 48' ' ' LEU . . . -60.06 -47.92 83.87 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.379 179.306 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.613 HD13 ' O ' ' B' ' 125' ' ' LEU . 1.6 mt -60.14 -44.37 94.99 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.404 179.481 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.677 HG12 HD13 ' B' ' 125' ' ' LEU . 11.9 mt -55.03 -37.38 42.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.487 179.389 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -73.2 -38.31 66.15 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.085 178.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.724 HG22 ' HB2' ' A' ' 59' ' ' TYR . 70.0 mt -60.86 -44.35 97.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.49 179.381 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -52.27 -24.84 8.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.486 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -49.3 -28.22 4.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.687 0.279 . . . . 0.0 111.118 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -153.62 24.17 0.52 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.316 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.933 ' CD2' HD21 ' D' ' 128' ' ' LEU . 49.6 m-85 -135.91 80.62 1.84 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.5 179.77 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -66.98 95.04 0.36 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.57 HG13 ' CG1' ' C' ' 61' ' ' VAL . 0.0 OUTLIER -72.66 96.9 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-O 120.934 0.397 . . . . 0.0 110.737 179.794 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.442 ' O ' HD23 ' A' ' 64' ' ' LEU . 3.1 m -82.68 104.43 12.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.613 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.473 HD12 HG23 ' B' ' 124' ' ' THR . 0.3 OUTLIER -82.1 130.47 35.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.961 0.41 . . . . 0.0 110.649 179.681 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.725 HD23 ' N ' ' A' ' 64' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.033 -179.526 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 82' ' ' LEU . . . . . 0.736 ' O ' HD23 ' B' ' 82' ' ' LEU . 9.6 tt . . . . . 0 N--CA 1.446 -0.648 0 CA-C-O 121.145 0.498 . . . . 0.0 110.249 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 83' ' ' LEU . . . . . 0.938 HD23 ' H ' ' B' ' 84' ' ' ALA . 0.6 OUTLIER -71.05 -40.22 71.79 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.369 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 1.085 ' HB1' ' HB2' ' B' ' 88' ' ' ALA . . . -82.35 -17.31 46.1 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.834 -179.032 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 85' ' ' ALA . . . . . 0.825 ' HB1' ' HB3' ' B' ' 126' ' ' LEU . . . -52.06 -23.03 4.64 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.227 -0.589 . . . . 0.0 109.728 179.152 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -127.06 -40.02 1.89 Allowed 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.793 178.511 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 87' ' ' ARG . . . . . 0.653 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 33.8 ttt85 -65.59 -40.49 92.74 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.733 179.471 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 88' ' ' ALA . . . . . 1.085 ' HB2' ' HB1' ' B' ' 84' ' ' ALA . . . -68.53 -42.9 77.82 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.0 -179.578 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 89' ' ' VAL . . . . . 0.763 HG13 ' CD1' ' B' ' 117' ' ' PHE . 61.0 t -69.66 -36.0 68.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.374 179.31 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 2.4 t -74.31 -26.75 60.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.673 179.53 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 91' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -67.4 -57.08 7.23 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-O 121.329 0.585 . . . . 0.0 109.742 179.455 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 92' ' ' VAL . . . . . 0.896 HG11 ' CD2' ' A' ' 18' ' ' LEU . 6.2 t -65.37 -27.65 42.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.276 -0.874 . . . . 0.0 109.96 179.069 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 93' ' ' LEU . . . . . 0.766 HD21 ' HA ' ' B' ' 114' ' ' HIS . 2.7 mt -66.26 -36.52 83.21 Favored 'General case' 0 C--O 1.231 0.09 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.555 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.52 -39.25 20.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.975 0.417 . . . . 0.0 111.039 -179.51 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 95' ' ' SER . . . . . 0.874 ' HB3' HD21 ' A' ' 33' ' ' LEU . 5.5 m -80.22 -17.89 51.04 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.133 -179.256 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 96' ' ' LEU . . . . . 0.515 HD13 ' HB3' ' B' ' 110' ' ' LEU . 0.1 OUTLIER -38.53 -52.41 1.6 Allowed 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -179.077 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -71.21 -28.23 64.06 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.037 -179.365 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 98' ' ' GLU . . . . . 0.821 ' O ' ' HB3' ' B' ' 101' ' ' ALA . 0.1 OUTLIER -69.6 -33.56 72.87 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 177.764 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 99' ' ' ILE . . . . . 0.623 HG23 HG21 ' B' ' 103' ' ' THR . 58.1 mt -63.36 -49.58 82.28 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.862 0 CA-C-N 114.51 -1.223 . . . . 0.0 109.689 178.508 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 100' ' ' HIS . . . . . 0.961 ' HB2' HD11 ' B' ' 110' ' ' LEU . 0.2 OUTLIER -56.48 -32.88 65.42 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 178.116 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 101' ' ' ALA . . . . . 0.821 ' HB3' ' O ' ' B' ' 98' ' ' GLU . . . -57.39 -46.07 83.84 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 114.54 -1.209 . . . . 0.0 111.986 179.38 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 102' ' ' LEU . . . . . 0.673 HD12 HG23 ' B' ' 103' ' ' THR . 0.4 OUTLIER -116.63 26.66 9.7 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.736 -177.48 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 103' ' ' THR . . . . . 0.673 HG23 HD12 ' B' ' 102' ' ' LEU . 31.9 p -140.67 -31.93 0.6 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.663 0.268 . . . . 0.0 111.484 179.604 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 1.1 t70 68.45 27.25 6.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.963 0.411 . . . . 0.0 110.55 -179.586 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 105' ' ' SER . . . . . 0.414 ' HB3' ' CE1' ' A' ' 21' ' ' TYR . 10.9 m -53.8 -77.75 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.654 179.813 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 167.55 105.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.429 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -47.97 -35.17 10.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.869 0.366 . . . . 0.0 110.638 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.8 -43.15 89.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.631 178.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 109' ' ' ASP . . . . . 0.658 ' O ' HD12 ' B' ' 113' ' ' LEU . 0.9 OUTLIER -63.94 -39.74 94.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.767 179.0 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 110' ' ' LEU . . . . . 0.961 HD11 ' HB2' ' B' ' 100' ' ' HIS . 50.8 mt -61.46 -35.01 76.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.816 179.048 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 111' ' ' ASP . . . . . 0.65 ' HA ' ' CD2' ' B' ' 114' ' ' HIS . 5.0 m-20 -64.01 -48.67 75.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.737 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 112' ' ' PHE . . . . . 0.582 ' O ' HG23 ' B' ' 116' ' ' VAL . 1.3 t80 -58.86 -37.79 77.3 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.865 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 113' ' ' LEU . . . . . 0.713 HD11 ' CD1' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -75.96 -36.74 59.18 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.033 -179.865 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 114' ' ' HIS . . . . . 0.766 ' HA ' HD21 ' B' ' 93' ' ' LEU . 0.0 OUTLIER -59.05 -33.35 70.66 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 178.939 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 39.2 t -75.81 -36.76 59.61 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 178.283 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 116' ' ' VAL . . . . . 0.859 ' O ' HD22 ' B' ' 122' ' ' LEU . 28.1 t -61.34 -23.33 30.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.726 178.297 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 117' ' ' PHE . . . . . 0.763 ' CD1' HG13 ' B' ' 89' ' ' VAL . 27.8 m-85 -100.49 -37.08 8.97 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.374 -179.642 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -62.49 -28.06 69.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.682 -179.095 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -41.16 114.72 0.52 Allowed 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.792 -179.325 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.32 -43.01 92.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.495 179.771 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 16.9 m-70 -60.99 -34.15 74.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.448 179.478 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 122' ' ' LEU . . . . . 0.859 HD22 ' O ' ' B' ' 116' ' ' VAL . 48.8 tp -56.03 -49.08 74.69 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.498 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 123' ' ' HIS . . . . . 1.021 ' HA ' HD12 ' B' ' 126' ' ' LEU . 97.1 m-70 -53.81 -26.03 22.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.981 179.04 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 124' ' ' THR . . . . . 0.689 HG22 HD11 ' B' ' 128' ' ' LEU . 1.9 m -74.22 -40.21 62.59 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.294 178.755 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 125' ' ' LEU . . . . . 0.834 HD12 HD12 ' B' ' 122' ' ' LEU . 4.9 mt -67.02 -31.82 72.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.845 178.857 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 126' ' ' LEU . . . . . 1.021 HD12 ' HA ' ' B' ' 123' ' ' HIS . 7.1 mt -73.29 -50.87 19.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.393 -179.582 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.87 -51.55 68.8 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.909 0.385 . . . . 0.0 110.942 179.759 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 128' ' ' LEU . . . . . 0.939 HD21 ' CD2' ' C' ' 59' ' ' TYR . 12.0 mt -60.66 -37.48 81.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.34 179.595 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 129' ' ' TYR . . . . . 0.738 ' CE2' HG23 ' A' ' 43' ' ' ILE . 0.2 OUTLIER -56.95 -44.25 82.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.359 179.567 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 130' ' ' ASP . . . . . 0.586 ' CG ' ' HA ' ' B' ' 82' ' ' LEU . 0.2 OUTLIER -76.07 -39.24 55.85 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.064 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 15.2 mttm -54.98 -53.84 50.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.496 -179.488 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 132' ' ' ILE . . . . . 0.731 HD12 ' O ' ' B' ' 128' ' ' LEU . 2.2 mt -72.26 -38.21 61.21 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 CA-C-O 120.978 0.418 . . . . 0.0 110.67 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 133' ' ' ASN . . . . . 0.452 ' HB2' HD23 ' A' ' 48' ' ' LEU . 60.6 t-20 -60.53 -32.64 71.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.672 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 80.7 m -64.02 -29.67 70.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.914 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.59 -29.78 14.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.019 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 136' ' ' SER . . . . . 0.459 ' HA ' ' ND2' ' C' ' 47' ' ' ASN . 1.9 t . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.043 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 7' ' ' ARG . . . . . . . . . . . . . 12.0 ttm-85 . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 1.5 tptp -60.88 -38.17 84.7 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-O 121.149 0.5 . . . . 0.0 109.722 179.101 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 61.4 mm-40 -73.93 -29.19 61.9 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.066 179.094 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 10' ' ' ASP . . . . . 0.593 ' HB3' HG22 ' D' ' 116' ' ' VAL . 93.1 m-20 -78.13 -31.76 50.06 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.371 179.675 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 11' ' ' THR . . . . . 0.427 HG21 ' CD1' ' C' ' 53' ' ' ILE . 16.8 p -71.92 -42.73 66.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.384 179.69 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 12' ' ' GLN . . . . . 0.446 ' HA ' HD23 ' C' ' 15' ' ' LEU . 0.5 OUTLIER -68.95 -40.59 78.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.389 179.561 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 12.2 ttt180 -72.9 -24.36 60.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.183 179.031 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 14' ' ' ALA . . . . . 0.902 ' CB ' HG11 ' D' ' 116' ' ' VAL . . . -78.72 -50.79 10.78 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.877 179.3 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 15' ' ' LEU . . . . . 0.785 ' O ' HD12 ' C' ' 41' ' ' ILE . 0.5 OUTLIER -66.81 -27.24 67.41 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.763 179.623 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' C' C ' 16' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -73.61 -45.86 50.47 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 178.815 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 17' ' ' LEU . . . . . 0.824 HD22 ' CE1' ' C' ' 21' ' ' TYR . 1.6 mt -61.62 -42.16 98.49 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.669 178.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 18' ' ' LEU . . . . . 0.773 ' HB3' HD11 ' C' ' 41' ' ' ILE . 10.7 mt -58.99 -42.91 91.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.393 -0.822 . . . . 0.0 110.629 179.617 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 19' ' ' GLU . . . . . 0.406 ' O ' ' CG ' ' C' ' 22' ' ' ARG . 0.0 OUTLIER -58.05 -45.71 86.56 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.06 0.457 . . . . 0.0 110.508 179.637 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -69.81 -32.98 71.71 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.697 179.086 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 21' ' ' TYR . . . . . 0.824 ' CE1' HD22 ' C' ' 17' ' ' LEU . 9.1 m-30 -65.93 -47.42 74.77 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.915 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 22' ' ' ARG . . . . . 0.514 ' HA ' HD12 ' C' ' 37' ' ' ILE . 9.1 ptt85 -59.95 -43.58 94.93 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.866 0.365 . . . . 0.0 110.758 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 1.7 p -58.09 -39.66 79.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.679 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 24' ' ' LYS . . . . . 0.41 ' HG3' ' HB ' ' D' ' 103' ' ' THR . 5.9 ptmt -94.0 -11.42 30.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.828 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 25' ' ' LEU . . . . . 0.804 HD12 HD11 ' C' ' 37' ' ' ILE . 0.7 OUTLIER -79.32 -68.78 0.63 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.873 0.368 . . . . 0.0 111.152 -179.632 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' C' C ' 26' ' ' SER . . . . . 0.468 ' HB2' ' HB2' ' C' ' 34' ' ' ARG . 33.6 t -62.39 -144.46 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.803 -179.396 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 48.35 27.24 1.3 Allowed 'General case' 0 N--CA 1.452 -0.346 0 CA-C-O 120.992 0.425 . . . . 0.0 110.35 -179.429 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 28' ' ' THR . . . . . 0.533 HG23 ' N ' ' C' ' 29' ' ' GLU . 12.9 t -152.18 -53.4 0.12 Allowed 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.856 -179.619 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 29' ' ' GLU . . . . . 0.533 ' N ' HG23 ' C' ' 28' ' ' THR . 9.7 pt-20 -177.47 26.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.779 -179.807 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 30' ' ' ASP . . . . . 0.518 ' CB ' HD22 ' C' ' 25' ' ' LEU . 0.9 OUTLIER -141.71 55.07 1.5 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.992 0.425 . . . . 0.0 110.914 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 2.0 mmm180 -65.02 -50.81 64.8 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.096 179.614 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.88 -50.56 73.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.083 179.156 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 33' ' ' LEU . . . . . 0.81 HD21 ' HB3' ' D' ' 95' ' ' SER . 4.9 tp -52.72 -33.32 47.43 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.092 179.058 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 34' ' ' ARG . . . . . 0.468 ' HB2' ' HB2' ' C' ' 26' ' ' SER . 6.8 ttp180 -60.62 -49.76 76.24 Favored 'General case' 0 CA--C 1.517 -0.311 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 178.806 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 4.9 m -55.7 -32.68 63.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.173 179.026 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 36' ' ' SER . . . . . 0.484 ' O ' ' CG ' ' C' ' 39' ' ' ARG . 1.4 m -66.69 -48.29 69.77 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.528 179.458 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 37' ' ' ILE . . . . . 0.804 HD11 HD12 ' C' ' 25' ' ' LEU . 54.0 mt -58.21 -40.04 75.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 179.208 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -58.81 -52.61 64.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.611 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 39' ' ' ARG . . . . . 0.764 ' HG3' ' HB1' ' D' ' 88' ' ' ALA . 1.9 ptp180 -55.68 -35.75 66.37 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.053 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 40' ' ' VAL . . . . . 0.546 HG12 ' CD2' ' C' ' 44' ' ' PHE . 89.8 t -68.82 -33.0 57.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.883 178.655 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 41' ' ' ILE . . . . . 0.785 HD12 ' O ' ' C' ' 15' ' ' LEU . 9.7 mm -69.67 -58.26 6.05 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.136 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 179.449 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 18.9 p -56.57 -47.56 79.27 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-O 121.07 0.462 . . . . 0.0 110.377 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 43' ' ' ILE . . . . . 0.725 HG23 ' CE2' ' D' ' 129' ' ' TYR . 16.8 mt -60.05 -32.23 49.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.948 179.086 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 44' ' ' PHE . . . . . 0.754 ' HB3' HD22 ' C' ' 15' ' ' LEU . 0.3 OUTLIER -72.59 -57.29 4.26 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.77 179.704 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' C' C ' 45' ' ' GLN . . . . . 0.447 ' HG2' ' O ' ' C' ' 41' ' ' ILE . 19.0 pt20 -74.4 -3.28 29.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 112.116 -178.725 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 46' ' ' SER . . . . . 0.4 ' OG ' ' CE1' ' D' ' 129' ' ' TYR . 6.3 t -54.71 126.47 24.12 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.799 0.333 . . . . 0.0 110.678 179.809 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 47' ' ' ASN . . . . . 0.459 ' ND2' ' HA ' ' B' ' 136' ' ' SER . 5.0 p-10 -53.87 -24.73 16.9 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.601 -179.553 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 48' ' ' LEU . . . . . 0.636 HD13 ' O ' ' C' ' 48' ' ' LEU . 0.3 OUTLIER -76.14 -49.21 17.96 Favored 'General case' 0 CA--C 1.519 -0.225 0 N-CA-C 109.252 -0.648 . . . . 0.0 109.252 179.173 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' C' C ' 49' ' ' PHE . . . . . 0.957 ' CE2' HD11 ' C' ' 53' ' ' ILE . 85.6 t80 -52.71 -41.78 64.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.37 179.45 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 50' ' ' GLN . . . . . 0.469 ' OE1' ' CA ' ' C' ' 50' ' ' GLN . 0.0 OUTLIER -59.68 -44.91 93.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.462 179.352 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' C' C ' 51' ' ' ALA . . . . . 0.561 ' HB1' ' HA ' ' B' ' 132' ' ' ILE . . . -59.18 -48.03 83.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.945 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 52' ' ' LEU . . . . . 0.687 HD13 ' O ' ' D' ' 125' ' ' LEU . 2.1 mt -59.12 -45.88 89.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.903 0.383 . . . . 0.0 110.53 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 53' ' ' ILE . . . . . 0.957 HD11 ' CE2' ' C' ' 49' ' ' PHE . 50.2 mt -53.61 -42.39 50.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.517 179.624 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -63.27 -39.13 93.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.385 179.646 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 55' ' ' ILE . . . . . 0.745 HG22 ' HB2' ' C' ' 59' ' ' TYR . 67.8 mt -60.37 -34.17 56.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.681 179.761 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 56' ' ' GLN . . . . . 0.454 ' NE2' HD21 ' D' ' 125' ' ' LEU . 0.0 OUTLIER -53.19 -21.76 5.63 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.764 -179.81 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' C' C ' 57' ' ' GLU . . . . . 0.405 ' O ' ' CD1' ' C' ' 58' ' ' PHE . 41.5 mt-10 -45.08 -43.03 9.22 Favored 'General case' 0 N--CA 1.462 0.159 0 N-CA-C 111.692 0.256 . . . . 0.0 111.692 -179.666 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 58' ' ' PHE . . . . . 0.405 ' CD1' ' O ' ' C' ' 57' ' ' GLU . 83.1 m-85 -155.69 38.73 0.38 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.822 0.304 . . . . 0.0 111.822 -179.59 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 59' ' ' TYR . . . . . 0.939 ' CD2' HD21 ' B' ' 128' ' ' LEU . 59.7 m-85 -136.07 79.7 1.78 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.874 179.609 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.16 87.9 0.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.948 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 61' ' ' VAL . . . . . 0.64 HG23 HG21 ' D' ' 124' ' ' THR . 0.0 OUTLIER -73.26 98.77 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 120.924 0.393 . . . . 0.0 111.126 179.858 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' C' C ' 62' ' ' THR . . . . . . . . . . . . . 3.7 m -80.97 122.36 27.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.527 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 63' ' ' LEU . . . . . 0.481 HD11 ' OH ' ' A' ' 59' ' ' TYR . 0.1 OUTLIER -93.01 130.03 38.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.895 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' C' C ' 64' ' ' LEU . . . . . 0.703 ' N ' HD23 ' C' ' 64' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.433 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.086 -179.604 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 82' ' ' LEU . . . . . 0.668 HD12 ' HB3' ' D' ' 130' ' ' ASP . 9.3 tt . . . . . 0 N--CA 1.45 -0.467 0 CA-C-O 121.199 0.523 . . . . 0.0 109.878 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 83' ' ' LEU . . . . . 0.958 HD23 ' H ' ' D' ' 84' ' ' ALA . 0.7 OUTLIER -66.51 -40.18 89.07 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.604 179.911 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' D' D ' 84' ' ' ALA . . . . . 1.108 ' HB1' ' HB2' ' D' ' 88' ' ' ALA . . . -80.27 -17.84 51.05 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.617 -178.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 85' ' ' ALA . . . . . 0.857 ' HB1' ' HB3' ' D' ' 126' ' ' LEU . . . -51.68 -25.68 7.73 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 179.085 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 86' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -124.84 -37.81 2.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.023 178.521 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 87' ' ' ARG . . . . . 0.632 ' HB3' ' O ' ' D' ' 83' ' ' LEU . 33.0 ttt180 -68.37 -37.73 80.72 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.969 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 88' ' ' ALA . . . . . 1.108 ' HB2' ' HB1' ' D' ' 84' ' ' ALA . . . -72.15 -39.96 68.38 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.245 -179.296 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 89' ' ' VAL . . . . . 0.821 HG12 ' HB3' ' D' ' 117' ' ' PHE . 21.5 t -76.97 -35.2 23.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.871 179.586 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 8.3 t -74.96 -43.26 55.1 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.169 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 91' ' ' GLN . . . . . 0.412 ' CG ' ' N ' ' D' ' 92' ' ' VAL . 6.9 pt20 -64.56 -49.97 69.12 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.056 0.455 . . . . 0.0 109.782 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 92' ' ' VAL . . . . . 0.554 HG23 ' O ' ' D' ' 88' ' ' ALA . 62.4 t -64.28 -27.67 43.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 177.825 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 93' ' ' LEU . . . . . 0.72 HD21 ' HA ' ' D' ' 114' ' ' HIS . 1.0 OUTLIER -58.22 -47.45 83.45 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.129 179.141 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.01 -24.41 52.15 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.196 -179.655 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 95' ' ' SER . . . . . 0.81 ' HB3' HD21 ' C' ' 33' ' ' LEU . 4.8 m -79.31 -29.69 42.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.758 -179.483 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 96' ' ' LEU . . . . . 0.924 HD22 HD22 ' D' ' 110' ' ' LEU . 0.2 OUTLIER -37.64 -52.49 1.23 Allowed 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 112.528 0.566 . . . . 0.0 112.528 -179.294 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -66.09 -30.52 71.05 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.959 0.409 . . . . 0.0 111.187 -179.173 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 98' ' ' GLU . . . . . 0.808 ' OE2' HD21 ' D' ' 102' ' ' LEU . 0.0 OUTLIER -70.02 -34.95 73.95 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 177.62 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' D' D ' 99' ' ' ILE . . . . . 0.565 ' O ' HG23 ' D' ' 103' ' ' THR . 6.6 mt -59.32 -49.35 83.81 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.644 0 CA-C-N 114.386 -1.279 . . . . 0.0 110.031 178.433 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 100' ' ' HIS . . . . . 0.841 ' HB2' HD11 ' D' ' 110' ' ' LEU . 0.2 OUTLIER -58.03 -35.08 70.78 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 178.464 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' D' D ' 101' ' ' ALA . . . . . 0.782 ' HB3' ' O ' ' D' ' 98' ' ' GLU . . . -55.36 -43.25 74.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.676 -1.147 . . . . 0.0 111.874 179.408 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 102' ' ' LEU . . . . . 0.808 HD21 ' OE2' ' D' ' 98' ' ' GLU . 0.4 OUTLIER -119.66 31.67 6.45 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.622 -0.717 . . . . 0.0 112.804 -177.452 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' D' D ' 103' ' ' THR . . . . . 0.674 HG23 HD12 ' D' ' 102' ' ' LEU . 35.4 p -146.89 -34.29 0.27 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.709 0.29 . . . . 0.0 111.572 179.713 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 1.7 t0 70.75 28.01 3.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.892 0.377 . . . . 0.0 110.326 -179.478 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 105' ' ' SER . . . . . . . . . . . . . 3.7 m -54.32 -77.61 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.773 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 106' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 167.55 105.36 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.487 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -47.31 -32.32 4.62 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.91 0.386 . . . . 0.0 110.596 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -66.93 -44.42 80.72 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 178.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 109' ' ' ASP . . . . . 0.733 ' O ' HD12 ' D' ' 113' ' ' LEU . 55.7 m-20 -66.23 -35.2 79.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.706 178.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 110' ' ' LEU . . . . . 0.924 HD22 HD22 ' D' ' 96' ' ' LEU . 17.1 mt -63.08 -44.53 95.52 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.998 179.268 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 111' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -60.34 -42.1 94.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.608 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 112' ' ' PHE . . . . . 0.754 ' O ' HG23 ' D' ' 116' ' ' VAL . 1.3 t80 -58.83 -43.25 90.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.344 179.45 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 113' ' ' LEU . . . . . 0.733 HD12 ' O ' ' D' ' 109' ' ' ASP . 0.5 OUTLIER -72.82 -32.71 65.7 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.707 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' D' D ' 114' ' ' HIS . . . . . 0.72 ' HA ' HD21 ' D' ' 93' ' ' LEU . 35.1 m170 -60.24 -37.9 81.79 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 178.347 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 115' ' ' SER . . . . . . . . . . . . . 70.1 m -73.37 -37.71 65.95 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 178.75 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 116' ' ' VAL . . . . . 0.902 HG11 ' CB ' ' C' ' 14' ' ' ALA . 55.1 t -60.05 -23.07 26.04 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 CA-C-N 115.165 -0.925 . . . . 0.0 109.711 178.293 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 117' ' ' PHE . . . . . 0.821 ' HB3' HG12 ' D' ' 89' ' ' VAL . 6.7 m-30 -107.37 -25.18 11.56 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.69 -179.503 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 118' ' ' GLN . . . . . 0.419 ' HB2' ' O ' ' D' ' 114' ' ' HIS . 0.0 OUTLIER -67.43 -37.81 83.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.698 0.285 . . . . 0.0 111.588 -179.029 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -42.71 111.71 0.28 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.749 -179.262 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 120' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -56.51 -40.19 74.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.422 179.702 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 121' ' ' HIS . . . . . . . . . . . . . 20.4 m170 -56.16 -34.01 65.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.195 179.318 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 122' ' ' LEU . . . . . 0.906 HD12 HD12 ' D' ' 125' ' ' LEU . 36.4 tp -56.03 -48.99 74.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.297 179.667 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 123' ' ' HIS . . . . . 0.99 ' HA ' HD12 ' D' ' 126' ' ' LEU . 40.5 m170 -54.64 -24.42 21.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.092 179.042 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 124' ' ' THR . . . . . 0.64 HG21 HG23 ' C' ' 61' ' ' VAL . 1.7 m -75.52 -39.04 58.92 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 178.775 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 125' ' ' LEU . . . . . 0.906 HD12 HD12 ' D' ' 122' ' ' LEU . 4.7 mt -69.45 -33.63 73.2 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.647 178.668 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 126' ' ' LEU . . . . . 0.99 HD12 ' HA ' ' D' ' 123' ' ' HIS . 3.9 mt -73.6 -49.85 24.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.07 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 127' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -60.79 -43.0 98.67 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.709 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 128' ' ' LEU . . . . . 0.933 HD21 ' CD2' ' A' ' 59' ' ' TYR . 19.1 mt -74.24 -29.7 61.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.204 179.309 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 129' ' ' TYR . . . . . 0.725 ' CE2' HG23 ' C' ' 43' ' ' ILE . 0.3 OUTLIER -56.39 -52.1 65.87 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.861 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' D' D ' 130' ' ' ASP . . . . . 0.668 ' HB3' HD12 ' D' ' 82' ' ' LEU . 0.1 OUTLIER -76.47 -35.48 58.41 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.787 0.327 . . . . 0.0 111.234 179.926 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' D' D ' 131' ' ' LYS . . . . . . . . . . . . . 1.2 mtpp -55.04 -51.0 67.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.099 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 132' ' ' ILE . . . . . 0.421 HD12 ' O ' ' D' ' 128' ' ' LEU . 5.0 mt -74.2 -38.38 48.02 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 CA-C-O 120.995 0.426 . . . . 0.0 110.708 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 133' ' ' ASN . . . . . . . . . . . . . 60.8 t30 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.889 179.872 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.455 -0.201 0 N-CA-C 110.081 -0.341 . . . . 0.0 110.081 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.48 -38.43 89.83 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 121.098 0.475 . . . . 0.0 109.783 179.169 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 17.2 mm100 -74.77 -29.05 61.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.094 179.057 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.423 ' O ' ' HB2' ' A' ' 14' ' ' ALA . 63.2 m-20 -80.43 -30.34 37.65 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.708 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.7 p -75.47 -36.09 60.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.264 179.562 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -71.99 -44.9 62.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.096 179.338 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.5 ttt180 -70.13 -24.65 63.22 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.023 178.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.952 ' CB ' HG11 ' B' ' 116' ' ' VAL . . . -78.41 -53.99 6.66 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.857 179.073 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.914 ' HA ' HD12 ' A' ' 18' ' ' LEU . 0.4 OUTLIER -66.09 -25.53 67.06 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.696 179.54 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.416 ' O ' ' HG3' ' A' ' 19' ' ' GLU . 0.7 OUTLIER -73.12 -44.38 60.32 Favored 'General case' 0 CA--C 1.518 -0.261 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 178.878 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.894 HD22 ' CE1' ' A' ' 21' ' ' TYR . 5.4 mt -64.36 -29.01 70.09 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.558 178.423 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.914 HD12 ' HA ' ' A' ' 15' ' ' LEU . 45.0 mt -66.2 -50.3 64.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.909 179.767 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.462 ' HG3' ' N ' ' A' ' 20' ' ' GLU . 0.3 OUTLIER -61.26 -36.52 80.25 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.707 -179.803 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.462 ' N ' ' HG3' ' A' ' 19' ' ' GLU . 74.2 mm-40 -74.86 -36.1 62.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.872 179.25 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.894 ' CE1' HD22 ' A' ' 17' ' ' LEU . 9.8 m-30 -66.16 -47.14 75.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.365 179.473 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.448 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 2.6 ptm180 -58.77 -43.52 90.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.799 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.431 ' N ' ' HG3' ' A' ' 22' ' ' ARG . 1.5 m -61.74 -35.11 77.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.466 179.604 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.646 ' O ' HG22 ' B' ' 103' ' ' THR . 8.5 ptmt -99.16 5.29 46.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.464 179.718 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.817 HD12 HD11 ' A' ' 37' ' ' ILE . 0.2 OUTLIER -98.53 -65.39 0.96 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.008 0.433 . . . . 0.0 110.676 -179.778 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.473 ' OG ' ' CG ' ' A' ' 34' ' ' ARG . 0.7 OUTLIER -60.6 -145.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.098 -179.479 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 47.3 27.4 0.87 Allowed 'General case' 0 N--CA 1.452 -0.367 0 CA-C-O 120.836 0.35 . . . . 0.0 110.593 -179.608 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.573 HG23 ' N ' ' A' ' 29' ' ' GLU . 14.7 t -150.85 -55.47 0.15 Allowed 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.42 -179.686 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.573 ' N ' HG23 ' A' ' 28' ' ' THR . 14.1 pt-20 -177.31 27.78 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.732 -179.352 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -143.08 48.07 1.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.03 0.443 . . . . 0.0 111.266 -179.742 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.8 -51.0 71.63 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.249 0.547 . . . . 0.0 110.049 179.433 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -56.25 -46.04 79.78 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.896 179.075 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.693 HD21 ' HB2' ' B' ' 95' ' ' SER . 6.2 tp -53.87 -33.79 57.46 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.871 179.081 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.473 ' CG ' ' OG ' ' A' ' 26' ' ' SER . 6.6 ttp180 -61.63 -46.83 88.14 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 178.604 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.554 ' HA ' ' CG ' ' A' ' 38' ' ' GLU . 0.3 OUTLIER -57.39 -30.46 64.92 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.965 179.669 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.649 ' HB3' ' NE2' ' B' ' 91' ' ' GLN . 0.1 OUTLIER -75.89 -46.6 29.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.114 0.483 . . . . 0.0 110.411 179.67 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.817 HD11 HD12 ' A' ' 25' ' ' LEU . 56.1 mt -63.47 -40.55 89.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.908 179.501 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.573 ' HA ' HG12 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -69.8 -38.43 76.62 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.089 -0.505 . . . . 0.0 112.338 -178.954 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.561 ' HG2' ' O ' ' A' ' 36' ' ' SER . 6.1 ptp180 -62.1 -38.92 90.69 Favored 'General case' 0 CA--C 1.519 -0.241 0 C-N-CA 119.955 -0.698 . . . . 0.0 109.499 179.782 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.554 HG12 ' CD1' ' A' ' 44' ' ' PHE . 94.9 t -60.94 -44.31 97.74 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 177.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.714 HD11 ' HB3' ' A' ' 18' ' ' LEU . 11.3 mm -50.79 -57.52 2.63 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.577 179.527 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.4 t -56.28 -46.12 79.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.944 0.402 . . . . 0.0 110.795 -179.063 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.955 HG23 ' CE2' ' B' ' 129' ' ' TYR . 9.2 mt -59.83 -34.59 56.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.864 179.055 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.892 ' HB3' HD22 ' A' ' 15' ' ' LEU . 2.5 m-85 -72.53 -57.13 4.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.503 179.477 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.597 ' OE1' HG22 ' A' ' 41' ' ' ILE . 45.7 mt-30 -62.7 -26.44 68.67 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.985 -178.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.496 ' CB ' ' CE1' ' B' ' 129' ' ' TYR . 0.2 OUTLIER -37.62 127.41 1.14 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.981 0.419 . . . . 0.0 111.774 -179.331 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -54.4 -24.86 21.53 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.504 -179.709 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.818 HD12 ' HA ' ' B' ' 129' ' ' TYR . 0.4 OUTLIER -79.15 -47.38 16.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.828 0.347 . . . . 0.0 110.243 179.766 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.66 ' CE2' HD11 ' A' ' 53' ' ' ILE . 88.1 t80 -50.44 -51.49 46.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.029 -179.399 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 49.6 mm-40 -59.03 -34.22 71.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.026 0.441 . . . . 0.0 110.398 179.379 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' A' ' 48' ' ' LEU . . . -59.43 -47.28 86.09 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.533 179.55 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.707 HD13 ' O ' ' B' ' 125' ' ' LEU . 0.3 OUTLIER -60.35 -44.6 95.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.242 179.489 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.66 HD11 ' CE2' ' A' ' 49' ' ' PHE . 10.8 mt -54.7 -37.37 39.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.46 179.432 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -67.52 -39.27 85.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.259 179.34 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.828 HG22 ' HB2' ' A' ' 59' ' ' TYR . 66.6 mt -62.82 -35.08 69.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.726 179.602 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.476 ' HG3' HD21 ' B' ' 125' ' ' LEU . 0.9 OUTLIER -54.66 -21.06 9.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.765 -179.721 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.429 ' O ' ' CD1' ' A' ' 58' ' ' PHE . 37.2 mt-10 -46.97 -36.83 8.17 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 120.572 0.225 . . . . 0.0 111.265 -179.784 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.429 ' CD1' ' O ' ' A' ' 57' ' ' GLU . 18.9 m-85 -156.75 35.14 0.3 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.614 -179.786 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.83 ' CD2' HD21 ' D' ' 128' ' ' LEU . 26.7 m-85 -139.86 94.17 2.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.826 179.615 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -84.91 99.01 10.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.784 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.636 HG13 HG12 ' C' ' 61' ' ' VAL . 0.0 OUTLIER -77.55 98.72 2.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.132 179.94 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 28.8 m -75.28 128.63 35.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.368 179.67 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.856 HD11 ' CE2' ' C' ' 59' ' ' TYR . 0.9 OUTLIER -97.21 120.53 37.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.974 -179.867 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.682 HD23 ' N ' ' A' ' 64' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.857 179.691 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 82' ' ' LEU . . . . . 0.873 HD23 ' N ' ' B' ' 82' ' ' LEU . 0.3 OUTLIER . . . . . 0 CA--C 1.52 -0.188 0 CA-C-O 121.099 0.476 . . . . 0.0 110.468 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 83' ' ' LEU . . . . . 1.084 HD23 ' H ' ' B' ' 84' ' ' ALA . 0.0 OUTLIER -63.51 -55.13 26.46 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.14 -179.316 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 1.084 ' H ' HD23 ' B' ' 83' ' ' LEU . . . -71.19 -25.0 62.34 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.391 -179.309 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 85' ' ' ALA . . . . . 0.905 ' HB1' ' CB ' ' B' ' 126' ' ' LEU . . . -52.66 -28.04 19.89 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-O 121.113 0.483 . . . . 0.0 110.036 179.624 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -123.03 -44.09 2.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.902 178.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 87' ' ' ARG . . . . . 0.78 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 16.0 ttt180 -57.64 -50.42 73.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.935 178.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 88' ' ' ALA . . . . . 0.77 ' HB3' ' O ' ' B' ' 84' ' ' ALA . . . -58.04 -48.4 80.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.109 -0.951 . . . . 0.0 111.8 -179.394 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 89' ' ' VAL . . . . . 0.602 HG12 ' HB3' ' B' ' 117' ' ' PHE . 24.8 t -62.19 -30.21 48.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.223 -179.725 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 73.7 m -75.24 -30.46 60.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.287 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 91' ' ' GLN . . . . . 0.649 ' NE2' ' HB3' ' A' ' 36' ' ' SER . 0.8 OUTLIER -68.65 -54.0 19.02 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 179.519 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 92' ' ' VAL . . . . . 0.832 HG11 HD22 ' A' ' 18' ' ' LEU . 3.6 t -64.28 -27.94 43.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.766 178.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 93' ' ' LEU . . . . . 0.72 HD21 ' HA ' ' B' ' 114' ' ' HIS . 1.5 mt -63.63 -42.54 98.16 Favored 'General case' 0 N--CA 1.457 -0.084 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.48 179.688 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.37 -27.96 31.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.387 -179.409 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 95' ' ' SER . . . . . 0.693 ' HB2' HD21 ' A' ' 33' ' ' LEU . 4.5 p -80.05 -28.54 39.24 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -179.345 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 96' ' ' LEU . . . . . 0.803 HD22 HD22 ' B' ' 110' ' ' LEU . 0.2 OUTLIER -36.04 -51.12 0.72 Allowed 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 112.455 0.539 . . . . 0.0 112.455 -179.113 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -69.0 -31.65 70.64 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.034 -179.477 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 98' ' ' GLU . . . . . 0.812 ' O ' ' HB3' ' B' ' 101' ' ' ALA . 0.2 OUTLIER -68.73 -34.27 75.33 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.045 -1.095 . . . . 0.0 108.045 177.706 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 99' ' ' ILE . . . . . 0.666 HG23 HG21 ' B' ' 103' ' ' THR . 12.8 mt -61.99 -49.5 83.91 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.883 0 CA-C-N 114.352 -1.295 . . . . 0.0 109.984 178.493 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 100' ' ' HIS . . . . . 0.904 ' HB2' HD11 ' B' ' 110' ' ' LEU . 0.1 OUTLIER -56.37 -34.16 66.4 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 178.187 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 101' ' ' ALA . . . . . 0.812 ' HB3' ' O ' ' B' ' 98' ' ' GLU . . . -56.79 -45.03 82.42 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.416 -1.266 . . . . 0.0 111.786 179.403 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 102' ' ' LEU . . . . . 0.683 HD12 HG23 ' B' ' 103' ' ' THR . 0.4 OUTLIER -118.48 27.08 9.15 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.768 -177.329 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 103' ' ' THR . . . . . 0.683 HG23 HD12 ' B' ' 102' ' ' LEU . 31.8 p -141.57 -33.83 0.5 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.702 0.287 . . . . 0.0 111.365 179.521 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 68.42 28.42 6.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.958 0.408 . . . . 0.0 110.448 -179.608 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 6.0 m -53.74 -76.07 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.754 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 1.1 m 168.63 105.88 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.493 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -47.72 -34.9 8.89 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.911 0.386 . . . . 0.0 110.657 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 5.3 mmtt -65.91 -46.22 79.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.205 0.526 . . . . 0.0 109.711 178.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 109' ' ' ASP . . . . . 0.719 ' O ' HD12 ' B' ' 113' ' ' LEU . 62.9 m-20 -62.87 -36.99 85.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.836 178.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 110' ' ' LEU . . . . . 0.904 HD11 ' HB2' ' B' ' 100' ' ' HIS . 20.3 mt -60.93 -50.64 72.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.922 179.107 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.94 -43.07 66.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.873 179.732 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 112' ' ' PHE . . . . . 0.862 ' O ' HG23 ' B' ' 116' ' ' VAL . 1.9 t80 -62.03 -38.42 88.64 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.801 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 113' ' ' LEU . . . . . 0.719 HD12 ' O ' ' B' ' 109' ' ' ASP . 0.4 OUTLIER -75.51 -34.46 60.82 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.156 -179.768 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 114' ' ' HIS . . . . . 0.72 ' HA ' HD21 ' B' ' 93' ' ' LEU . 57.9 m80 -60.91 -37.11 81.11 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 178.591 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.81 -37.6 64.86 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 178.508 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 116' ' ' VAL . . . . . 0.952 HG11 ' CB ' ' A' ' 14' ' ' ALA . 47.5 t -59.05 -23.77 25.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.234 -0.894 . . . . 0.0 109.96 178.47 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 117' ' ' PHE . . . . . 0.625 ' HZ ' HD11 ' A' ' 18' ' ' LEU . 22.2 m-85 -105.06 -29.88 10.12 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.365 -179.782 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.43 -29.47 70.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.236 -179.595 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -46.34 131.56 10.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.45 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -72.77 -46.49 53.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.731 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -55.95 -34.71 65.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.694 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 122' ' ' LEU . . . . . 0.862 HD12 HD12 ' B' ' 125' ' ' LEU . 44.3 tp -56.35 -49.16 75.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.307 179.703 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 123' ' ' HIS . . . . . 0.943 ' HA ' HD12 ' B' ' 126' ' ' LEU . 46.3 m170 -53.07 -26.05 14.84 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.201 179.106 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 124' ' ' THR . . . . . 0.572 HG21 HG23 ' A' ' 61' ' ' VAL . 5.7 m -77.54 -34.67 53.8 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.042 179.298 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 125' ' ' LEU . . . . . 0.862 HD12 HD12 ' B' ' 122' ' ' LEU . 13.1 mt -65.98 -38.95 89.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.779 179.694 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 126' ' ' LEU . . . . . 0.943 HD12 ' HA ' ' B' ' 123' ' ' HIS . 0.3 OUTLIER -73.54 -46.46 47.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.431 -179.64 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -56.6 -51.48 68.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.995 0.426 . . . . 0.0 110.899 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 128' ' ' LEU . . . . . 0.803 HD21 ' CD2' ' C' ' 59' ' ' TYR . 9.9 mt -71.14 -29.04 64.73 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.331 179.495 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 129' ' ' TYR . . . . . 0.955 ' CE2' HG23 ' A' ' 43' ' ' ILE . 0.2 OUTLIER -55.19 -53.84 50.93 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.164 -179.239 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 130' ' ' ASP . . . . . 0.43 ' HB3' ' CD2' ' B' ' 82' ' ' LEU . 2.4 m-20 -77.65 -31.04 52.45 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.156 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 131' ' ' LYS . . . . . 0.674 ' HD2' HD13 ' B' ' 82' ' ' LEU . 0.3 OUTLIER -54.94 -52.02 64.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.877 179.876 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 132' ' ' ILE . . . . . 0.596 HD12 ' O ' ' B' ' 128' ' ' LEU . 3.0 mt -76.15 -39.13 35.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.636 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 133' ' ' ASN . . . . . . . . . . . . . 33.7 t30 -64.19 -28.6 69.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.92 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 134' ' ' THR . . . . . 0.65 HG22 ' O ' ' B' ' 134' ' ' THR . 61.6 m -95.51 23.01 6.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.289 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 47.03 26.68 0.64 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.592 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 -179.479 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 7' ' ' ARG . . . . . 0.4 ' NH1' ' HB2' ' C' ' 7' ' ' ARG . 12.2 ttm105 . . . . . 0 CA--C 1.521 -0.173 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.93 -42.6 94.53 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.005 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -73.84 -30.83 62.9 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.944 179.018 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.47 -29.72 52.81 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.367 179.442 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 11' ' ' THR . . . . . 0.438 HG21 ' CD1' ' C' ' 53' ' ' ILE . 1.9 p -71.4 -43.62 66.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.391 179.667 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 12' ' ' GLN . . . . . 0.434 ' HA ' HD23 ' C' ' 15' ' ' LEU . 0.7 OUTLIER -66.78 -42.65 85.67 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-O 120.919 0.39 . . . . 0.0 110.272 179.541 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 -67.81 -26.19 65.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.155 179.321 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 14' ' ' ALA . . . . . 0.693 ' CB ' HG11 ' D' ' 116' ' ' VAL . . . -78.64 -54.8 5.74 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.679 178.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 15' ' ' LEU . . . . . 0.83 HD22 ' HB3' ' C' ' 44' ' ' PHE . 0.3 OUTLIER -64.37 -27.14 68.81 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.612 179.227 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' C' C ' 16' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -70.94 -45.41 64.23 Favored 'General case' 0 C--O 1.234 0.268 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 178.196 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 17' ' ' LEU . . . . . 0.745 HD22 ' CE1' ' C' ' 21' ' ' TYR . 4.0 mt -63.73 -35.37 80.36 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.135 -0.938 . . . . 0.0 109.177 178.171 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 18' ' ' LEU . . . . . 1.012 HD22 HG23 ' C' ' 37' ' ' ILE . 13.2 mt -62.19 -42.25 99.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 114.966 -1.015 . . . . 0.0 110.752 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 19' ' ' GLU . . . . . 0.426 ' O ' ' HG2' ' C' ' 22' ' ' ARG . 20.7 mm-40 -62.4 -48.17 80.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.11 0.481 . . . . 0.0 110.942 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 20' ' ' GLU . . . . . 0.447 ' O ' ' HG3' ' C' ' 24' ' ' LYS . 6.1 mt-10 -70.86 -31.62 68.37 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.145 179.744 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 21' ' ' TYR . . . . . 0.745 ' CE1' HD22 ' C' ' 17' ' ' LEU . 8.4 m-30 -69.93 -46.16 65.95 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.818 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 22' ' ' ARG . . . . . 0.504 ' HB3' ' HB ' ' C' ' 37' ' ' ILE . 2.8 ptm180 -59.87 -39.81 86.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.87 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 23' ' ' SER . . . . . 0.45 ' N ' ' HG3' ' C' ' 22' ' ' ARG . 74.2 p -61.9 -46.23 90.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 24' ' ' LYS . . . . . 0.447 ' HG3' ' O ' ' C' ' 20' ' ' GLU . 45.7 mtpt -74.43 -31.46 62.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.312 0.577 . . . . 0.0 110.41 179.473 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 25' ' ' LEU . . . . . 1.024 HD11 ' HG ' ' C' ' 33' ' ' LEU . 0.3 OUTLIER -56.78 -73.66 0.06 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.168 -0.924 . . . . 0.0 111.726 -179.445 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' C' C ' 26' ' ' SER . . . . . 0.505 ' HB3' ' HB3' ' C' ' 34' ' ' ARG . 24.4 p -58.92 -157.83 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.295 -179.138 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 27' ' ' GLN . . . . . 0.419 ' OE1' ' NH1' ' C' ' 31' ' ' ARG . 2.8 mp0 59.01 24.21 12.42 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.504 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 28' ' ' THR . . . . . 0.674 HG23 ' H ' ' C' ' 29' ' ' GLU . 6.8 t -148.74 -60.24 0.23 Allowed 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 121.088 0.471 . . . . 0.0 111.702 -179.017 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 29' ' ' GLU . . . . . 0.674 ' H ' HG23 ' C' ' 28' ' ' THR . 12.7 pt-20 -175.33 27.99 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.394 -179.102 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 30' ' ' ASP . . . . . 0.463 ' HB3' ' HB3' ' C' ' 33' ' ' LEU . 1.6 m-20 -152.29 56.84 0.83 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.159 0.504 . . . . 0.0 110.726 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 31' ' ' ARG . . . . . 0.518 ' O ' ' HG2' ' C' ' 34' ' ' ARG . 10.0 mmm180 -68.86 -43.17 75.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.405 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 21.6 tp60 -63.74 -34.14 77.22 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.178 0.513 . . . . 0.0 109.804 179.015 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 33' ' ' LEU . . . . . 1.024 ' HG ' HD11 ' C' ' 25' ' ' LEU . 0.1 OUTLIER -62.53 -48.96 77.25 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.639 179.625 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' C' C ' 34' ' ' ARG . . . . . 0.518 ' HG2' ' O ' ' C' ' 31' ' ' ARG . 0.7 OUTLIER -60.85 -31.87 71.29 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 179.094 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.15 -39.81 93.85 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.695 178.566 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 36' ' ' SER . . . . . 0.509 ' O ' ' HG2' ' C' ' 39' ' ' ARG . 2.1 m -62.4 -43.6 98.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.539 0.685 . . . . 0.0 109.835 178.814 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 37' ' ' ILE . . . . . 1.012 HG23 HD22 ' C' ' 18' ' ' LEU . 65.7 mt -60.97 -37.2 76.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.744 179.119 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -60.92 -51.77 67.87 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.525 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 39' ' ' ARG . . . . . 0.723 ' HG3' ' HB1' ' D' ' 88' ' ' ALA . 2.6 ptp180 -55.1 -37.8 67.3 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 40' ' ' VAL . . . . . 0.429 HG11 HD11 ' C' ' 18' ' ' LEU . 89.5 t -64.83 -33.64 64.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.757 178.395 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 41' ' ' ILE . . . . . 0.779 HD11 ' HB3' ' C' ' 18' ' ' LEU . 25.6 mm -65.22 -59.62 3.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 179.396 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 23.9 t -55.6 -44.03 76.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.925 0.393 . . . . 0.0 110.653 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 43' ' ' ILE . . . . . 0.556 HD13 ' HA ' ' D' ' 85' ' ' ALA . 13.7 mt -59.84 -35.83 62.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.803 179.239 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 44' ' ' PHE . . . . . 0.83 ' HB3' HD22 ' C' ' 15' ' ' LEU . 2.6 m-85 -73.12 -58.48 3.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.303 178.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 45' ' ' GLN . . . . . 0.656 ' OE1' HG22 ' C' ' 41' ' ' ILE . 41.4 mt-30 -63.03 -21.68 66.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.72 -179.205 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 46' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -39.76 149.44 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.953 0.406 . . . . 0.0 111.814 -179.269 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -72.79 -28.4 62.56 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.388 -179.464 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 48' ' ' LEU . . . . . 0.745 HD21 ' HB ' ' D' ' 132' ' ' ILE . 0.4 OUTLIER -79.2 -47.46 15.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.02 0.438 . . . . 0.0 110.212 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' C' C ' 49' ' ' PHE . . . . . 0.899 ' CE2' HD11 ' C' ' 53' ' ' ILE . 85.0 t80 -51.22 -55.71 16.65 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.297 -179.539 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 -54.75 -41.9 70.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.996 0.427 . . . . 0.0 110.485 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 51' ' ' ALA . . . . . 0.409 ' O ' HG12 ' C' ' 55' ' ' ILE . . . -58.76 -49.18 78.62 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.603 179.576 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 52' ' ' LEU . . . . . 0.737 HD12 ' CD1' ' C' ' 48' ' ' LEU . 0.5 OUTLIER -57.95 -45.64 86.31 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.39 179.388 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' C' C ' 53' ' ' ILE . . . . . 0.899 HD11 ' CE2' ' C' ' 49' ' ' PHE . 35.6 mt -51.16 -40.09 21.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 121.081 0.467 . . . . 0.0 110.087 178.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -66.88 -34.34 77.58 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.249 179.193 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 55' ' ' ILE . . . . . 0.72 HG22 ' HB2' ' C' ' 59' ' ' TYR . 37.3 mm -56.0 -40.83 65.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.852 179.678 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 56' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -52.71 -20.75 3.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.648 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 57' ' ' GLU . . . . . 0.404 ' O ' ' CG ' ' C' ' 58' ' ' PHE . 2.4 mm-40 -42.96 -46.61 5.49 Favored 'General case' 0 N--CA 1.462 0.169 0 N-CA-C 111.712 0.264 . . . . 0.0 111.712 -179.777 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 58' ' ' PHE . . . . . 0.404 ' CG ' ' O ' ' C' ' 57' ' ' GLU . 90.3 m-85 -157.57 27.58 0.28 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.762 0.315 . . . . 0.0 111.645 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 59' ' ' TYR . . . . . 0.856 ' CE2' HD11 ' A' ' 63' ' ' LEU . 42.0 m-85 -126.27 75.42 1.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.248 179.43 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.93 96.21 0.13 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.813 0.34 . . . . 0.0 111.067 -179.557 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 61' ' ' VAL . . . . . 0.636 HG12 HG13 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -72.93 98.96 0.94 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.188 0 CA-C-O 120.8 0.333 . . . . 0.0 110.906 179.695 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' C' C ' 62' ' ' THR . . . . . . . . . . . . . 22.3 m -83.66 117.03 22.92 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.65 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 63' ' ' LEU . . . . . 0.498 ' C ' HD23 ' C' ' 64' ' ' LEU . 0.1 OUTLIER -89.93 129.62 36.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.786 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' C' C ' 64' ' ' LEU . . . . . 0.874 ' N ' HD23 ' C' ' 64' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.472 -179.805 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 82' ' ' LEU . . . . . 0.492 ' O ' HD23 ' D' ' 82' ' ' LEU . 6.7 tt . . . . . 0 N--CA 1.454 -0.269 0 CA-C-O 120.852 0.358 . . . . 0.0 111.35 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 83' ' ' LEU . . . . . 0.931 HD23 ' H ' ' D' ' 84' ' ' ALA . 0.0 OUTLIER -79.09 -50.93 10.26 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.998 -178.924 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' D' D ' 84' ' ' ALA . . . . . 0.963 ' HB1' ' HB2' ' D' ' 88' ' ' ALA . . . -74.51 -23.26 58.81 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.297 -179.459 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 85' ' ' ALA . . . . . 0.899 ' HB1' ' HB3' ' D' ' 126' ' ' LEU . . . -51.99 -25.71 8.97 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.529 -0.468 . . . . 0.0 109.875 179.316 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 86' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -124.33 -35.36 2.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.141 178.603 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 87' ' ' ARG . . . . . 0.704 ' HB3' ' O ' ' D' ' 83' ' ' LEU . 17.0 ttt180 -71.92 -38.83 69.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.703 179.655 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 88' ' ' ALA . . . . . 0.963 ' HB2' ' HB1' ' D' ' 84' ' ' ALA . . . -73.41 -36.88 66.07 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.037 -179.552 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 89' ' ' VAL . . . . . 0.774 HG13 ' CD1' ' D' ' 117' ' ' PHE . 45.8 t -76.27 -37.56 32.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.721 179.635 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 38.4 m -76.22 -40.57 51.82 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.439 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 91' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -66.25 -46.52 76.83 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 121.125 0.488 . . . . 0.0 109.871 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 92' ' ' VAL . . . . . 0.606 HG23 ' O ' ' D' ' 88' ' ' ALA . 60.0 t -68.62 -27.76 37.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.394 178.008 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 93' ' ' LEU . . . . . 0.699 HD21 ' HA ' ' D' ' 114' ' ' HIS . 1.7 mt -62.12 -41.18 97.99 Favored 'General case' 0 C--O 1.231 0.089 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.297 179.733 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.19 -29.84 34.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.225 -179.625 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 95' ' ' SER . . . . . 0.805 ' HB3' HD21 ' C' ' 33' ' ' LEU . 20.0 m -79.9 -24.58 41.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.289 -0.414 . . . . 0.0 112.067 -179.344 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 96' ' ' LEU . . . . . 0.696 HD22 HD22 ' D' ' 110' ' ' LEU . 0.2 OUTLIER -38.75 -49.84 1.62 Allowed 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -179.331 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -64.83 -32.05 73.56 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.564 -179.188 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 98' ' ' GLU . . . . . 0.803 ' O ' ' HB3' ' D' ' 101' ' ' ALA . 0.1 OUTLIER -69.05 -35.96 77.17 Favored 'General case' 0 C--O 1.237 0.405 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 178.018 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' D' D ' 99' ' ' ILE . . . . . 0.905 HD13 HD11 ' C' ' 37' ' ' ILE . 20.3 mt -60.2 -48.52 87.78 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.883 0 CA-C-N 114.283 -1.326 . . . . 0.0 110.254 178.76 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 100' ' ' HIS . . . . . 0.743 ' HB2' HD11 ' D' ' 110' ' ' LEU . 0.2 OUTLIER -57.64 -35.7 70.86 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 178.215 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' D' D ' 101' ' ' ALA . . . . . 0.803 ' HB3' ' O ' ' D' ' 98' ' ' GLU . . . -53.66 -43.05 68.5 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 114.662 -1.154 . . . . 0.0 111.406 179.156 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 102' ' ' LEU . . . . . 0.79 HD21 ' OE2' ' D' ' 98' ' ' GLU . 0.3 OUTLIER -118.04 22.23 12.34 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -177.679 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' D' D ' 103' ' ' THR . . . . . 0.619 HG23 HD12 ' D' ' 102' ' ' LEU . 42.7 p -140.47 -10.49 1.07 Allowed 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 55.23 23.73 5.73 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.917 0.389 . . . . 0.0 110.759 -179.397 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 105' ' ' SER . . . . . 0.496 ' HB3' ' CE1' ' C' ' 21' ' ' TYR . 0.2 OUTLIER -58.92 -19.58 43.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.161 179.77 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' D' D ' 106' ' ' SER . . . . . 0.413 ' CB ' ' O ' ' D' ' 105' ' ' SER . 4.3 t 81.1 121.09 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.465 -179.593 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -53.15 -23.75 9.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.289 -179.59 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 1.4 mmtp -60.54 -55.61 31.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.133 0.492 . . . . 0.0 110.162 179.579 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 109' ' ' ASP . . . . . 0.63 ' O ' HD12 ' D' ' 113' ' ' LEU . 7.4 m-20 -62.27 -36.71 82.92 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.552 178.838 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 110' ' ' LEU . . . . . 0.743 HD11 ' HB2' ' D' ' 100' ' ' HIS . 19.1 mt -60.93 -45.54 94.3 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.779 178.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 111' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -54.64 -45.93 73.84 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.686 179.693 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 112' ' ' PHE . . . . . 0.43 ' O ' HG23 ' D' ' 116' ' ' VAL . 0.6 OUTLIER -60.13 -38.94 84.57 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.668 179.751 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' D' D ' 113' ' ' LEU . . . . . 0.71 HD11 HD12 ' C' ' 17' ' ' LEU . 0.4 OUTLIER -76.24 -34.94 59.2 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.179 -179.742 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' D' D ' 114' ' ' HIS . . . . . 0.699 ' HA ' HD21 ' D' ' 93' ' ' LEU . 49.6 m80 -59.93 -34.77 73.67 Favored 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 178.185 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 115' ' ' SER . . . . . . . . . . . . . 3.7 t -74.24 -38.32 63.54 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 178.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 116' ' ' VAL . . . . . 0.851 ' O ' HD22 ' D' ' 122' ' ' LEU . 14.0 t -59.41 -23.83 26.44 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.73 178.511 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 117' ' ' PHE . . . . . 0.774 ' CD1' HG13 ' D' ' 89' ' ' VAL . 24.2 m-85 -103.42 -30.36 10.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.157 -179.711 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 118' ' ' GLN . . . . . 0.421 ' NE2' ' O ' ' D' ' 114' ' ' HIS . 0.0 OUTLIER -65.26 -30.14 70.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.028 -179.607 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -45.43 113.04 0.52 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.47 -179.575 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 120' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -58.17 -35.48 71.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.696 179.793 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 121' ' ' HIS . . . . . 0.4 ' O ' ' HG ' ' D' ' 125' ' ' LEU . 16.0 m80 -62.84 -35.54 80.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.647 179.699 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 122' ' ' LEU . . . . . 0.851 HD22 ' O ' ' D' ' 116' ' ' VAL . 44.3 tp -56.52 -49.1 75.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.641 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 123' ' ' HIS . . . . . 1.005 ' HA ' HD12 ' D' ' 126' ' ' LEU . 11.7 m170 -55.38 -23.83 26.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.249 179.159 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 124' ' ' THR . . . . . 0.588 HG21 HG23 ' C' ' 61' ' ' VAL . 2.3 m -76.31 -38.72 55.65 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 178.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 125' ' ' LEU . . . . . 0.82 HD12 HD12 ' D' ' 122' ' ' LEU . 2.8 mt -70.79 -28.64 64.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.748 178.568 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 126' ' ' LEU . . . . . 1.005 HD12 ' HA ' ' D' ' 123' ' ' HIS . 11.5 mt -73.6 -50.76 19.58 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.648 -179.483 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 127' ' ' ASP . . . . . 0.424 ' OD2' ' HA ' ' D' ' 124' ' ' THR . 1.3 p30 -64.86 -38.89 92.49 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 179.087 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 128' ' ' LEU . . . . . 0.83 HD21 ' CD2' ' A' ' 59' ' ' TYR . 44.2 mt -73.65 -29.7 62.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.855 178.522 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 129' ' ' TYR . . . . . 0.743 ' HA ' HD12 ' C' ' 48' ' ' LEU . 7.8 t80 -55.7 -52.34 64.22 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.579 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 130' ' ' ASP . . . . . 0.429 ' CG ' ' HB2' ' D' ' 82' ' ' LEU . 11.4 t70 -76.98 -31.26 56.39 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.691 -0.404 . . . . 0.0 111.323 179.514 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.44 -50.45 67.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.038 -179.522 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 132' ' ' ILE . . . . . 0.745 ' HB ' HD21 ' C' ' 48' ' ' LEU . 5.0 mt -78.77 -38.66 21.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.827 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 133' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 . . . . . 0 C--N 1.326 -0.415 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.119 -179.886 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.825 ' O ' HG23 ' A' ' 11' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.209 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.54 -36.8 83.78 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 121.145 0.497 . . . . 0.0 109.832 179.047 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 17.3 mm100 -76.71 -28.65 55.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.219 179.199 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.698 ' HB3' HG22 ' B' ' 116' ' ' VAL . 5.5 m-20 -78.97 -32.62 45.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.446 179.662 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.825 HG23 ' O ' ' A' ' 7' ' ' ARG . 79.3 p -72.76 -41.36 65.17 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.426 179.539 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.412 ' HA ' HD23 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -69.55 -40.19 76.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.323 179.583 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.6 ttm180 -73.31 -24.63 60.42 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.074 179.157 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.806 ' CB ' HG11 ' B' ' 116' ' ' VAL . . . -78.6 -51.28 10.13 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.104 179.155 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.878 HD22 ' HB3' ' A' ' 44' ' ' PHE . 0.4 OUTLIER -67.76 -25.05 65.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.645 179.579 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.3 m170 -72.99 -45.85 55.56 Favored 'General case' 0 CA--C 1.518 -0.27 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 178.555 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.941 HD22 ' CE1' ' A' ' 21' ' ' TYR . 3.0 mt -63.35 -35.5 80.59 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.227 178.352 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.898 ' CD2' HG11 ' B' ' 92' ' ' VAL . 31.8 mt -63.36 -40.95 98.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.133 -0.94 . . . . 0.0 110.503 179.517 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.624 ' CD ' HG21 ' A' ' 41' ' ' ILE . 2.2 mt-10 -64.04 -38.61 91.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.489 179.665 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.65 -36.95 62.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.225 179.679 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.941 ' CE1' HD22 ' A' ' 17' ' ' LEU . 11.8 m-30 -67.52 -46.47 72.74 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.925 179.561 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.543 ' HA ' HD13 ' A' ' 37' ' ' ILE . 4.2 ttt180 -55.58 -51.33 67.47 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.792 179.531 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 72.2 p -57.96 -36.98 73.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.115 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.421 ' O ' HG22 ' B' ' 103' ' ' THR . 8.4 ptmt -96.09 4.0 52.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.702 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.986 HD12 HD11 ' A' ' 37' ' ' ILE . 0.2 OUTLIER -94.05 -66.09 0.94 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.002 0.429 . . . . 0.0 111.149 -179.751 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.531 ' HB3' ' HB2' ' A' ' 34' ' ' ARG . 1.5 p -60.41 -157.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.144 -179.187 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.423 ' OE1' ' NH1' ' A' ' 31' ' ' ARG . 1.3 mp0 59.62 28.14 17.5 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 120.964 0.412 . . . . 0.0 110.459 -179.762 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.767 HG23 ' H ' ' A' ' 29' ' ' GLU . 3.7 t -150.3 -63.51 0.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.379 -179.546 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.767 ' H ' HG23 ' A' ' 28' ' ' THR . 26.8 pt-20 -170.01 27.66 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.68 -179.289 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.536 ' HB2' HD22 ' A' ' 25' ' ' LEU . 4.8 m-20 -146.74 56.33 1.14 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.999 0.428 . . . . 0.0 110.783 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.423 ' NH1' ' OE1' ' A' ' 27' ' ' GLN . 12.9 mmm180 -66.23 -48.27 71.11 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.143 179.781 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -58.72 -48.94 79.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.799 178.795 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.845 HD21 ' HB3' ' B' ' 95' ' ' SER . 9.4 tp -53.51 -35.51 60.72 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.032 178.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.638 ' HA ' HD12 ' A' ' 37' ' ' ILE . 6.7 ttp180 -60.67 -43.96 97.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.722 178.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.6 m -60.67 -32.65 71.84 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.47 -0.787 . . . . 0.0 110.456 179.234 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.427 ' O ' ' HG2' ' A' ' 39' ' ' ARG . 61.0 m -66.41 -51.29 58.5 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.93 0.395 . . . . 0.0 110.628 179.695 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.986 HD11 HD12 ' A' ' 25' ' ' LEU . 6.4 mt -56.55 -40.58 69.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.268 0.556 . . . . 0.0 109.83 179.152 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.81 -52.59 64.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.042 -0.981 . . . . 0.0 111.909 -179.636 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.58 ' HG3' ' HB1' ' B' ' 88' ' ' ALA . 3.0 ptp180 -55.77 -34.59 65.38 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.066 -179.649 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.663 HG12 ' CD2' ' A' ' 44' ' ' PHE . 98.5 t -66.83 -34.42 69.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 178.17 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.685 HD11 ' HB3' ' A' ' 18' ' ' LEU . 12.4 mm -64.96 -61.07 1.87 Allowed 'Isoleucine or valine' 0 C--O 1.227 -0.131 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.05 179.232 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.3 p -54.97 -47.33 74.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.626 -179.423 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.773 HG23 ' CE2' ' B' ' 129' ' ' TYR . 14.2 mt -59.88 -32.01 48.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.738 178.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.878 ' HB3' HD22 ' A' ' 15' ' ' LEU . 0.5 OUTLIER -72.59 -58.59 3.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.819 178.926 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.437 ' OE1' HG22 ' A' ' 41' ' ' ILE . 33.8 mt-30 -66.63 -17.23 64.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.515 -179.563 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.456 ' CB ' ' CE1' ' B' ' 129' ' ' TYR . 1.2 m -38.81 127.02 1.56 Allowed 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.94 0.4 . . . . 0.0 111.623 -179.53 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -55.04 -29.74 58.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.295 -179.806 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.788 ' O ' HD12 ' A' ' 48' ' ' LEU . 1.3 tp -79.84 -47.91 14.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.71 0.291 . . . . 0.0 110.803 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.798 ' CE2' HD11 ' A' ' 53' ' ' ILE . 79.7 t80 -50.99 -51.98 47.37 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.865 -179.677 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -59.28 -35.83 74.47 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.93 0.395 . . . . 0.0 110.427 179.468 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 48' ' ' LEU . . . -58.79 -43.67 90.52 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.321 179.565 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.504 HD13 ' O ' ' B' ' 125' ' ' LEU . 1.8 mt -62.24 -44.1 97.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.103 179.206 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.798 HD11 ' CE2' ' A' ' 49' ' ' PHE . 53.5 mt -52.09 -41.99 33.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.558 179.391 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -67.24 -38.1 84.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.411 179.398 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.687 HG22 ' HB2' ' A' ' 59' ' ' TYR . 68.3 mt -61.59 -41.51 90.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.641 179.564 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -51.92 -23.44 4.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.609 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.405 ' O ' ' CD1' ' A' ' 58' ' ' PHE . 68.4 mt-10 -47.1 -36.82 8.77 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.692 -179.685 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.405 ' CD1' ' O ' ' A' ' 57' ' ' GLU . 61.2 m-85 -154.28 30.08 0.44 Allowed 'General case' 0 C--O 1.234 0.251 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 -179.529 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.981 ' CD2' HD21 ' D' ' 128' ' ' LEU . 57.5 m-85 -134.09 75.39 1.59 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.563 179.477 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.405 ' HB2' ' HB ' ' C' ' 62' ' ' THR . 1.0 OUTLIER -63.26 100.35 0.23 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.8 -179.743 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.598 HG12 ' HB3' ' C' ' 59' ' ' TYR . 0.0 OUTLIER -72.83 96.94 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.966 0.412 . . . . 0.0 110.684 179.841 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.419 ' HB ' ' CB ' ' C' ' 60' ' ' GLU . 1.7 m -72.34 116.95 13.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.975 -179.788 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.654 HD11 ' CZ ' ' C' ' 59' ' ' TYR . 2.9 tp -88.27 118.48 27.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.337 179.423 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.511 HD23 ' N ' ' A' ' 64' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.341 -179.71 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 82' ' ' LEU . . . . . 0.74 ' O ' HD23 ' B' ' 82' ' ' LEU . 8.8 tt . . . . . 0 N--CA 1.45 -0.434 0 CA-C-O 120.743 0.306 . . . . 0.0 111.579 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 83' ' ' LEU . . . . . 0.885 HD23 ' H ' ' B' ' 84' ' ' ALA . 0.0 OUTLIER -72.44 -49.45 33.34 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.007 0.432 . . . . 0.0 110.677 -179.578 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 0.885 ' H ' HD23 ' B' ' 83' ' ' LEU . . . -67.98 -25.6 65.51 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.58 -178.785 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 85' ' ' ALA . . . . . 0.822 ' HB1' ' HB3' ' B' ' 126' ' ' LEU . . . -52.5 -24.71 8.54 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.494 -0.482 . . . . 0.0 110.198 179.383 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -126.02 -44.81 1.75 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.991 178.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 87' ' ' ARG . . . . . 0.666 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 7.7 ttt85 -57.9 -47.46 82.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.355 179.139 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 88' ' ' ALA . . . . . 0.699 ' HB3' ' O ' ' B' ' 84' ' ' ALA . . . -56.36 -46.25 80.1 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.406 -0.816 . . . . 0.0 111.373 -179.267 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 89' ' ' VAL . . . . . 0.554 HG12 ' HB3' ' B' ' 117' ' ' PHE . 25.4 t -69.61 -30.17 44.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.074 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 13.4 t -74.7 -35.5 62.73 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.79 -179.513 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 91' ' ' GLN . . . . . 0.584 ' HG3' ' O ' ' B' ' 87' ' ' ARG . 6.2 mt-30 -68.69 -52.91 25.85 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-O 121.2 0.524 . . . . 0.0 109.633 179.741 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 92' ' ' VAL . . . . . 0.898 HG11 ' CD2' ' A' ' 18' ' ' LEU . 12.5 t -63.55 -27.83 43.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.086 179.364 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 93' ' ' LEU . . . . . 0.797 HD21 ' HA ' ' B' ' 114' ' ' HIS . 1.8 mt -66.54 -43.28 85.53 Favored 'General case' 0 C--N 1.337 0.041 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.448 179.667 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.57 -33.89 35.77 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.81 -179.73 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 95' ' ' SER . . . . . 0.845 ' HB3' HD21 ' A' ' 33' ' ' LEU . 8.2 m -79.96 -22.91 42.05 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.568 -179.773 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 96' ' ' LEU . . . . . 0.998 HD22 HD22 ' B' ' 110' ' ' LEU . 0.2 OUTLIER -38.01 -52.59 1.39 Allowed 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -179.358 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -70.11 -28.32 65.29 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.971 0.415 . . . . 0.0 111.022 -179.356 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 98' ' ' GLU . . . . . 0.802 ' O ' ' HB3' ' B' ' 101' ' ' ALA . 0.1 OUTLIER -69.82 -34.79 74.15 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.796 -1.186 . . . . 0.0 107.796 177.755 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 99' ' ' ILE . . . . . 0.619 HG23 HG21 ' B' ' 103' ' ' THR . 39.8 mt -62.45 -49.79 82.45 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.777 0 CA-C-N 114.446 -1.252 . . . . 0.0 109.88 178.595 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 100' ' ' HIS . . . . . 0.909 ' HB2' HD11 ' B' ' 110' ' ' LEU . 0.2 OUTLIER -56.57 -33.76 66.46 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 178.231 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 101' ' ' ALA . . . . . 0.802 ' HB3' ' O ' ' B' ' 98' ' ' GLU . . . -56.65 -45.61 81.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 114.459 -1.246 . . . . 0.0 111.899 179.419 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 102' ' ' LEU . . . . . 0.78 HD21 ' OE2' ' B' ' 98' ' ' GLU . 0.4 OUTLIER -117.37 26.5 9.7 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.615 -0.721 . . . . 0.0 112.684 -177.361 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 103' ' ' THR . . . . . 0.675 HG23 HD12 ' B' ' 102' ' ' LEU . 33.9 p -140.64 -31.98 0.6 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.717 0.294 . . . . 0.0 111.534 179.677 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 13.1 t70 68.45 27.47 6.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.905 0.384 . . . . 0.0 110.397 -179.513 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 3.3 m -54.31 -76.78 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.724 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 167.76 104.01 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.56 179.774 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -47.97 -32.86 6.99 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.92 0.39 . . . . 0.0 110.637 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.56 -46.61 72.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.629 178.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 109' ' ' ASP . . . . . 0.654 ' O ' HD12 ' B' ' 113' ' ' LEU . 60.4 m-20 -63.05 -36.93 85.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.721 178.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 110' ' ' LEU . . . . . 0.998 HD22 HD22 ' B' ' 96' ' ' LEU . 29.5 mt -60.26 -39.78 88.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.899 179.049 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.8 -43.68 95.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.559 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 112' ' ' PHE . . . . . 0.409 ' O ' HG23 ' B' ' 116' ' ' VAL . 2.7 t80 -58.44 -38.75 78.11 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.416 179.716 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 113' ' ' LEU . . . . . 0.688 HD11 ' CD1' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -76.11 -31.28 58.6 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.944 -179.766 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 114' ' ' HIS . . . . . 0.797 ' HA ' HD21 ' B' ' 93' ' ' LEU . 0.0 OUTLIER -64.92 -29.77 70.73 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 178.834 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 115' ' ' SER . . . . . 0.433 ' N ' ' CD2' ' B' ' 114' ' ' HIS . 0.3 OUTLIER -79.2 -38.49 35.64 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 177.8 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 116' ' ' VAL . . . . . 0.818 ' O ' HD22 ' B' ' 122' ' ' LEU . 16.5 t -61.99 -23.73 32.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.592 178.07 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 117' ' ' PHE . . . . . 0.61 ' HZ ' HD11 ' A' ' 18' ' ' LEU . 17.9 m-85 -99.98 -30.54 11.94 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.286 -179.692 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 118' ' ' GLN . . . . . 0.56 ' NE2' ' ND1' ' B' ' 114' ' ' HIS . 0.0 OUTLIER -66.94 -29.4 69.26 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.415 -179.531 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -46.66 114.19 0.78 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.419 -179.678 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.02 -38.33 85.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.548 179.758 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -59.64 -34.32 72.65 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.617 179.704 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 122' ' ' LEU . . . . . 0.851 HD12 HD12 ' B' ' 125' ' ' LEU . 47.7 tp -56.16 -46.29 79.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.504 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 123' ' ' HIS . . . . . 1.01 ' HA ' HD12 ' B' ' 126' ' ' LEU . 38.7 m170 -57.58 -25.33 59.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.07 179.078 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 124' ' ' THR . . . . . 0.4 ' O ' ' HG ' ' B' ' 128' ' ' LEU . 1.8 m -73.74 -37.92 64.92 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.179 -0.675 . . . . 0.0 109.179 178.759 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 125' ' ' LEU . . . . . 0.851 HD12 HD12 ' B' ' 122' ' ' LEU . 4.3 mt -71.32 -32.32 68.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.602 178.469 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 126' ' ' LEU . . . . . 1.01 HD12 ' HA ' ' B' ' 123' ' ' HIS . 7.5 mt -73.34 -50.62 21.06 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.145 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.22 -53.04 62.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.095 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 128' ' ' LEU . . . . . 0.931 HD21 ' CD2' ' C' ' 59' ' ' TYR . 14.3 mt -60.85 -39.06 87.67 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.638 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 129' ' ' TYR . . . . . 0.773 ' CE2' HG23 ' A' ' 43' ' ' ILE . 1.0 OUTLIER -56.34 -40.94 75.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.132 0.491 . . . . 0.0 110.354 179.582 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 130' ' ' ASP . . . . . 0.645 ' OD1' ' HB2' ' B' ' 85' ' ' ALA . 0.3 OUTLIER -76.23 -40.27 52.45 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.196 179.93 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 24.8 mmtt -54.56 -54.12 45.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.358 -179.29 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 132' ' ' ILE . . . . . 0.807 HD12 ' O ' ' B' ' 128' ' ' LEU . 1.8 mt -72.87 -35.86 50.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.912 0.387 . . . . 0.0 110.708 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 133' ' ' ASN . . . . . 0.589 ' HB2' HD23 ' A' ' 48' ' ' LEU . 48.0 t-20 -63.69 -25.88 68.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.818 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 134' ' ' THR . . . . . 0.643 HG22 ' O ' ' B' ' 134' ' ' THR . 58.2 m -94.39 28.81 2.43 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.19 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 135' ' ' LYS . . . . . 0.447 ' HG3' ' O ' ' B' ' 134' ' ' THR . 1.6 pttp 41.81 32.08 0.25 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.696 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 10.8 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.98 179.913 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' C' C ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.13 -36.31 83.2 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.2 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -75.74 -28.93 58.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.026 179.071 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 10' ' ' ASP . . . . . 0.718 ' HB3' HG22 ' D' ' 116' ' ' VAL . 4.4 m-20 -79.47 -30.61 42.17 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.301 179.537 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 3.3 p -73.08 -42.39 63.07 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.542 179.647 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 12' ' ' GLN . . . . . 0.477 ' HA ' HD23 ' C' ' 15' ' ' LEU . 0.7 OUTLIER -71.13 -38.75 72.26 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.357 179.515 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 18.7 ttm180 -73.04 -24.77 60.75 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.931 178.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 14' ' ' ALA . . . . . 0.856 ' CB ' HG11 ' D' ' 116' ' ' VAL . . . -78.47 -54.23 6.39 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.6 178.887 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 15' ' ' LEU . . . . . 0.877 ' HA ' HD12 ' C' ' 18' ' ' LEU . 0.4 OUTLIER -62.34 -26.07 68.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.602 179.38 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' C' C ' 16' ' ' HIS . . . . . . . . . . . . . 6.8 m170 -73.19 -45.88 53.83 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 178.818 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 17' ' ' LEU . . . . . 0.697 ' CD1' HD11 ' D' ' 113' ' ' LEU . 5.7 mt -63.15 -36.4 83.48 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.458 178.618 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 18' ' ' LEU . . . . . 0.982 HD22 HG11 ' D' ' 92' ' ' VAL . 38.8 mt -62.99 -46.8 85.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.632 179.587 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 19' ' ' GLU . . . . . 0.407 ' CG ' HG21 ' C' ' 41' ' ' ILE . 15.4 mt-10 -57.91 -41.51 82.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.767 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -71.53 -32.36 68.07 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.221 179.617 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 21' ' ' TYR . . . . . 0.67 ' O ' ' HB2' ' C' ' 25' ' ' LEU . 14.4 m-30 -70.13 -48.65 56.58 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.451 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 22' ' ' ARG . . . . . 0.461 ' HB2' ' CG ' ' C' ' 34' ' ' ARG . 6.5 ptm180 -55.66 -42.66 75.39 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.607 179.455 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 17.7 t -59.68 -43.27 94.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.734 179.498 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 24' ' ' LYS . . . . . 0.53 ' O ' HG22 ' D' ' 103' ' ' THR . 10.1 ptmt -98.74 13.17 33.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.74 -179.802 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 25' ' ' LEU . . . . . 0.923 HD12 HD11 ' C' ' 37' ' ' ILE . 0.0 OUTLIER -107.85 -67.5 0.96 Allowed 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.815 0.302 . . . . 0.0 111.815 -179.269 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' C' C ' 26' ' ' SER . . . . . 0.589 ' CB ' ' HB2' ' C' ' 34' ' ' ARG . 0.0 OUTLIER -61.74 -18.13 58.58 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -178.399 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' C' C ' 27' ' ' GLN . . . . . 0.435 ' OE1' ' NH1' ' C' ' 31' ' ' ARG . 0.3 OUTLIER -72.65 57.38 0.41 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.946 0.403 . . . . 0.0 111.077 -179.513 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' C' C ' 28' ' ' THR . . . . . 0.632 HG22 ' O ' ' C' ' 25' ' ' LEU . 9.0 t -176.34 -58.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 112.058 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 29' ' ' GLU . . . . . 0.626 ' N ' HG23 ' C' ' 28' ' ' THR . 14.8 pt-20 -168.57 29.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -178.792 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 30' ' ' ASP . . . . . 0.57 ' HB2' HD22 ' C' ' 25' ' ' LEU . 2.0 m-20 -141.93 47.23 1.64 Allowed 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 120.932 -0.307 . . . . 0.0 111.654 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 31' ' ' ARG . . . . . 0.468 ' HA ' ' HB2' ' C' ' 26' ' ' SER . 10.8 mmm180 -54.87 -51.88 64.56 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.181 0.515 . . . . 0.0 110.715 179.456 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.04 -45.88 75.26 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.098 179.116 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 33' ' ' LEU . . . . . 0.886 HD21 ' HB3' ' D' ' 95' ' ' SER . 3.9 tp -53.1 -35.09 59.25 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.951 179.073 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 34' ' ' ARG . . . . . 0.589 ' HB2' ' CB ' ' C' ' 26' ' ' SER . 6.0 ttp180 -60.76 -45.83 92.8 Favored 'General case' 0 CA--C 1.512 -0.495 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 178.535 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 10.4 t -54.13 -36.9 63.78 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.376 179.4 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 36' ' ' SER . . . . . 0.484 ' O ' HG23 ' C' ' 40' ' ' VAL . 3.9 p -68.88 -49.63 56.58 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.951 0.405 . . . . 0.0 110.319 179.051 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 37' ' ' ILE . . . . . 0.923 HD11 HD12 ' C' ' 25' ' ' LEU . 52.0 mt -58.1 -38.14 65.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.081 0.467 . . . . 0.0 109.816 178.809 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -61.45 -52.38 64.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.61 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 39' ' ' ARG . . . . . 0.602 ' HG3' ' HB1' ' D' ' 88' ' ' ALA . 4.3 ptp85 -55.52 -35.05 65.21 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.652 -0.419 . . . . 0.0 109.897 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 40' ' ' VAL . . . . . 0.716 HG12 ' CD2' ' C' ' 44' ' ' PHE . 57.9 t -68.73 -31.96 52.99 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 CA-C-N 116.257 -0.429 . . . . 0.0 109.925 178.336 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 41' ' ' ILE . . . . . 0.622 HG12 ' O ' ' C' ' 37' ' ' ILE . 8.6 mm -69.31 -59.48 3.51 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.601 179.672 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 16.5 p -57.76 -47.16 83.28 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-O 121.022 0.439 . . . . 0.0 110.5 -179.228 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 43' ' ' ILE . . . . . 0.452 ' HA ' ' CZ ' ' D' ' 129' ' ' TYR . 31.2 mt -59.94 -33.08 51.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.966 179.05 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 44' ' ' PHE . . . . . 0.787 ' HB3' HD22 ' C' ' 15' ' ' LEU . 0.2 OUTLIER -73.04 -57.48 4.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.804 -179.932 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' C' C ' 45' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -80.21 -18.5 49.38 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 -176.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 46' ' ' SER . . . . . 0.437 ' CB ' ' OH ' ' D' ' 129' ' ' TYR . 0.4 OUTLIER -45.28 143.92 1.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.989 0.424 . . . . 0.0 111.328 -179.286 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -54.94 -22.53 15.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.389 -178.807 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 48' ' ' LEU . . . . . 0.658 HD13 ' O ' ' C' ' 48' ' ' LEU . 0.3 OUTLIER -75.74 -46.2 32.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.818 0.342 . . . . 0.0 111.033 -179.475 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' C' C ' 49' ' ' PHE . . . . . 0.906 ' CE2' HD11 ' C' ' 53' ' ' ILE . 19.7 t80 -51.29 -56.3 13.72 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.54 -179.195 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 50.2 mm-40 -51.75 -39.17 58.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.866 0.365 . . . . 0.0 110.739 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 51' ' ' ALA . . . . . 0.514 ' CB ' HG23 ' B' ' 132' ' ' ILE . . . -60.76 -52.24 65.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.764 179.517 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 52' ' ' LEU . . . . . 0.782 HD13 ' O ' ' D' ' 125' ' ' LEU . 1.2 mt -58.33 -46.99 85.17 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.721 179.801 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 53' ' ' ILE . . . . . 0.906 HD11 ' CE2' ' C' ' 49' ' ' PHE . 63.4 mt -53.64 -36.26 28.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.543 179.541 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.72 -30.64 64.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.623 179.474 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 55' ' ' ILE . . . . . 0.729 HG23 ' CD2' ' B' ' 128' ' ' LEU . 72.7 mt -70.07 -50.95 43.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.163 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 56' ' ' GLN . . . . . 0.407 ' HG2' ' HA ' ' C' ' 53' ' ' ILE . 5.3 pt20 -53.51 -23.15 9.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.533 -179.587 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.71 -35.19 13.49 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.633 0.254 . . . . 0.0 111.023 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 58' ' ' PHE . . . . . 0.422 ' HA ' ' HG ' ' A' ' 64' ' ' LEU . 80.7 m-85 -146.92 16.03 1.21 Allowed 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 59' ' ' TYR . . . . . 0.931 ' CD2' HD21 ' B' ' 128' ' ' LEU . 13.4 m-85 -130.64 62.28 1.6 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.886 0.374 . . . . 0.0 110.675 179.804 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 60' ' ' GLU . . . . . 0.419 ' CB ' ' HB ' ' A' ' 62' ' ' THR . 0.9 OUTLIER -48.29 95.8 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.976 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' C' C ' 61' ' ' VAL . . . . . 0.599 HG23 HG21 ' D' ' 124' ' ' THR . 0.1 OUTLIER -72.14 104.44 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.993 0.425 . . . . 0.0 111.276 -179.713 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' C' C ' 62' ' ' THR . . . . . 0.432 ' O ' HD23 ' C' ' 64' ' ' LEU . 2.5 m -89.19 110.43 21.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.472 179.753 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 63' ' ' LEU . . . . . 0.428 ' CD1' ' CE2' ' A' ' 59' ' ' TYR . 0.2 OUTLIER -82.56 132.47 35.19 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.835 -179.912 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' C' C ' 64' ' ' LEU . . . . . 0.681 ' N ' HD23 ' C' ' 64' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.469 -179.558 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 82' ' ' LEU . . . . . 0.804 ' N ' HD23 ' D' ' 82' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 83' ' ' LEU . . . . . 0.998 HD23 ' H ' ' D' ' 84' ' ' ALA . 0.3 OUTLIER -66.53 -47.12 73.88 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.021 -0.991 . . . . 0.0 110.698 -179.835 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' D' D ' 84' ' ' ALA . . . . . 0.998 ' H ' HD23 ' D' ' 83' ' ' LEU . . . -77.82 -20.04 53.9 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.435 -179.216 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 85' ' ' ALA . . . . . 0.87 ' HB1' ' HB2' ' D' ' 126' ' ' LEU . . . -52.3 -23.19 5.39 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.214 0.53 . . . . 0.0 110.112 179.253 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 86' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -128.29 -38.97 1.73 Allowed 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.536 178.72 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 87' ' ' ARG . . . . . 0.698 ' HB3' ' O ' ' D' ' 83' ' ' LEU . 31.9 ttt85 -65.53 -41.0 93.56 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.493 179.288 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 88' ' ' ALA . . . . . 0.983 ' HB2' ' HB1' ' D' ' 84' ' ' ALA . . . -70.6 -46.15 63.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.597 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 89' ' ' VAL . . . . . 0.587 HG12 ' HB3' ' D' ' 117' ' ' PHE . 28.9 t -68.69 -35.82 71.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.34 179.24 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 90' ' ' SER . . . . . 0.451 ' HA ' ' HB2' ' D' ' 93' ' ' LEU . 62.5 m -75.35 -24.75 57.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.632 179.308 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 91' ' ' GLN . . . . . 0.414 ' HB3' ' HB2' ' C' ' 36' ' ' SER . 11.3 mt-30 -67.69 -57.09 6.98 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-O 121.325 0.583 . . . . 0.0 109.627 179.357 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 92' ' ' VAL . . . . . 0.982 HG11 HD22 ' C' ' 18' ' ' LEU . 3.6 t -66.09 -27.99 42.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.262 -0.881 . . . . 0.0 109.902 179.127 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 93' ' ' LEU . . . . . 0.773 HD21 ' HA ' ' D' ' 114' ' ' HIS . 2.3 mt -64.36 -37.9 89.12 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.263 179.7 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -83.22 -35.35 25.49 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.929 0.395 . . . . 0.0 111.136 -179.533 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 95' ' ' SER . . . . . 0.886 ' HB3' HD21 ' C' ' 33' ' ' LEU . 16.1 m -80.59 -23.36 39.92 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.137 -179.509 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 96' ' ' LEU . . . . . 0.831 HD22 HD22 ' D' ' 110' ' ' LEU . 0.2 OUTLIER -36.83 -52.73 0.93 Allowed 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 112.722 0.638 . . . . 0.0 112.722 -178.97 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -70.54 -27.95 64.55 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.978 -179.376 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 98' ' ' GLU . . . . . 0.764 ' O ' ' HB3' ' D' ' 101' ' ' ALA . 0.1 OUTLIER -69.83 -34.73 74.05 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 177.597 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' D' D ' 99' ' ' ILE . . . . . 0.572 HG23 HG21 ' D' ' 103' ' ' THR . 24.8 mt -61.45 -49.74 83.24 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.756 0 CA-C-N 114.452 -1.249 . . . . 0.0 109.925 178.437 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 100' ' ' HIS . . . . . 0.816 ' HB2' HD11 ' D' ' 110' ' ' LEU . 0.2 OUTLIER -57.42 -33.79 68.25 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 178.326 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' D' D ' 101' ' ' ALA . . . . . 0.764 ' HB3' ' O ' ' D' ' 98' ' ' GLU . . . -57.8 -43.07 85.39 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.528 -1.214 . . . . 0.0 111.967 179.5 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 102' ' ' LEU . . . . . 0.657 HD12 HG23 ' D' ' 103' ' ' THR . 0.4 OUTLIER -119.41 25.94 9.75 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 -177.395 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' D' D ' 103' ' ' THR . . . . . 0.657 HG23 HD12 ' D' ' 102' ' ' LEU . 30.9 p -141.25 -32.91 0.53 Allowed 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 120.984 -0.286 . . . . 0.0 111.517 179.727 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 67.73 28.29 7.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.873 0.368 . . . . 0.0 110.448 -179.427 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 105' ' ' SER . . . . . 0.42 ' OG ' ' CE1' ' C' ' 21' ' ' TYR . 3.7 m -52.84 -75.93 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.892 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 169.64 105.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.405 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -47.48 -39.28 15.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.871 0.367 . . . . 0.0 110.736 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 5.2 mmtp -63.3 -43.88 96.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.146 0.498 . . . . 0.0 109.853 179.157 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 109' ' ' ASP . . . . . 0.714 ' O ' HD12 ' D' ' 113' ' ' LEU . 2.5 m-20 -65.03 -37.67 88.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.753 178.888 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 110' ' ' LEU . . . . . 0.831 HD22 HD22 ' D' ' 96' ' ' LEU . 13.3 mt -59.58 -49.67 76.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.929 179.136 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 111' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.66 -42.56 79.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.899 -179.697 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 112' ' ' PHE . . . . . 0.468 ' O ' HG23 ' D' ' 116' ' ' VAL . 2.4 t80 -58.67 -39.91 81.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.36 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 113' ' ' LEU . . . . . 0.714 HD12 ' O ' ' D' ' 109' ' ' ASP . 0.5 OUTLIER -73.71 -30.74 63.03 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.217 -179.704 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' D' D ' 114' ' ' HIS . . . . . 0.773 ' HA ' HD21 ' D' ' 93' ' ' LEU . 65.2 m80 -63.21 -34.85 78.55 Favored 'General case' 0 CA--C 1.517 -0.293 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 178.296 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 115' ' ' SER . . . . . . . . . . . . . 44.1 t -73.0 -39.54 65.97 Favored 'General case' 0 N--CA 1.453 -0.275 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 178.426 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 116' ' ' VAL . . . . . 0.873 ' O ' HD22 ' D' ' 122' ' ' LEU . 41.3 t -62.28 -23.39 31.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.141 -0.936 . . . . 0.0 109.698 178.326 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 117' ' ' PHE . . . . . 0.704 ' CZ ' HD11 ' C' ' 18' ' ' LEU . 8.4 m-30 -105.32 -18.88 13.97 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.585 -179.728 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 118' ' ' GLN . . . . . 0.594 HE22 ' HB3' ' D' ' 114' ' ' HIS . 0.0 OUTLIER -74.71 -33.65 62.46 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.725 0.298 . . . . 0.0 111.39 -179.5 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -42.45 127.95 3.82 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.711 -179.321 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 120' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -69.0 -46.9 66.84 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.674 179.731 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 121' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 -55.88 -34.03 65.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.404 179.378 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 122' ' ' LEU . . . . . 0.873 HD22 ' O ' ' D' ' 116' ' ' VAL . 24.3 tp -56.19 -50.41 71.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.286 179.844 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 123' ' ' HIS . . . . . 0.474 ' HA ' ' CD1' ' D' ' 126' ' ' LEU . 28.9 m170 -51.73 -27.14 11.03 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.176 179.023 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 124' ' ' THR . . . . . 0.599 HG21 HG23 ' C' ' 61' ' ' VAL . 6.2 m -75.7 -35.86 60.18 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.92 179.372 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 125' ' ' LEU . . . . . 0.782 ' O ' HD13 ' C' ' 52' ' ' LEU . 14.9 mt -62.32 -41.48 98.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.796 179.662 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 126' ' ' LEU . . . . . 0.87 ' HB2' ' HB1' ' D' ' 85' ' ' ALA . 1.7 mp -73.38 -40.43 64.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.46 -179.442 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 127' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.42 -53.5 57.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.946 0.403 . . . . 0.0 111.137 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 128' ' ' LEU . . . . . 0.981 HD21 ' CD2' ' A' ' 59' ' ' TYR . 2.4 mt -72.13 -29.09 63.72 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.339 179.622 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 129' ' ' TYR . . . . . 0.49 ' CD2' ' HB3' ' C' ' 48' ' ' LEU . 1.6 t80 -55.37 -52.56 63.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.313 -179.437 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 130' ' ' ASP . . . . . 0.432 ' HB3' ' CD2' ' D' ' 82' ' ' LEU . 2.2 m-20 -76.88 -36.44 56.73 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.832 0.349 . . . . 0.0 111.039 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 131' ' ' LYS . . . . . . . . . . . . . 7.1 mttm -56.57 -43.88 80.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.134 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 132' ' ' ILE . . . . . 0.641 HG12 HD11 ' A' ' 55' ' ' ILE . 5.3 mt -78.86 -39.05 21.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.865 0.364 . . . . 0.0 111.039 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 133' ' ' ASN . . . . . . . . . . . . . 16.6 t30 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.237 -179.591 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.09 -38.56 91.66 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 121.136 0.493 . . . . 0.0 109.692 179.046 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 55.4 mm-40 -74.17 -29.86 61.97 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.023 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.628 ' HB3' HG22 ' B' ' 116' ' ' VAL . 1.1 m-20 -80.03 -29.81 39.4 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.233 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.776 HG23 ' CD1' ' A' ' 44' ' ' PHE . 94.9 m -71.21 -42.21 69.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.117 179.571 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.416 ' O ' ' HB2' ' A' ' 16' ' ' HIS . 0.8 OUTLIER -69.51 -46.82 65.64 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.202 179.272 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.446 ' HD2' ' CE1' ' B' ' 112' ' ' PHE . 0.4 OUTLIER -65.91 -25.05 66.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.139 179.193 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.915 ' CB ' HG11 ' B' ' 116' ' ' VAL . . . -78.7 -54.71 5.82 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 179.065 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.762 ' O ' HD12 ' A' ' 41' ' ' ILE . 0.4 OUTLIER -65.92 -27.34 68.12 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.681 179.342 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.416 ' HB2' ' O ' ' A' ' 12' ' ' GLN . 8.1 m80 -73.19 -45.51 55.93 Favored 'General case' 0 CA--C 1.52 -0.191 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 178.626 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.935 HD22 ' CE1' ' A' ' 21' ' ' TYR . 2.7 mt -60.92 -43.78 98.11 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.655 179.082 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.733 HD22 HG11 ' B' ' 92' ' ' VAL . 23.1 mt -58.94 -42.65 90.28 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.623 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.456 ' CG ' HG21 ' A' ' 41' ' ' ILE . 8.0 mt-10 -58.26 -44.02 88.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.195 0.521 . . . . 0.0 110.715 179.681 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -72.57 -31.6 65.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.035 179.453 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.935 ' CE1' HD22 ' A' ' 17' ' ' LEU . 10.7 m-30 -67.51 -47.68 69.27 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.521 179.757 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.452 ' HA ' HD12 ' A' ' 37' ' ' ILE . 2.7 ptm180 -60.19 -43.64 95.74 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 120.894 0.378 . . . . 0.0 110.612 179.593 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.6 t -57.37 -40.37 78.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.399 179.419 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.7 ptmt -96.9 3.9 51.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.566 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 1.07 HD12 HD11 ' A' ' 37' ' ' ILE . 0.1 OUTLIER -92.36 -66.87 0.89 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.88 0.371 . . . . 0.0 111.181 -179.852 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.467 ' HB3' ' HB2' ' A' ' 34' ' ' ARG . 2.9 p -60.45 -157.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.875 -179.483 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.422 ' OE1' ' NH1' ' A' ' 31' ' ' ARG . 1.8 mp0 59.72 25.4 14.38 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 120.822 0.344 . . . . 0.0 110.674 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.772 HG23 ' H ' ' A' ' 29' ' ' GLU . 3.5 t -147.87 -63.75 0.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.388 -179.568 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.772 ' H ' HG23 ' A' ' 28' ' ' THR . 12.6 pt-20 -170.4 27.87 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.607 -179.213 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.473 ' HB2' HD22 ' A' ' 25' ' ' LEU . 3.8 m-20 -146.73 53.11 1.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.035 0.445 . . . . 0.0 110.816 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.422 ' NH1' ' OE1' ' A' ' 27' ' ' GLN . 13.9 mmm180 -64.64 -47.77 77.28 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.214 0.53 . . . . 0.0 109.871 179.628 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.7 tp60 -58.23 -45.03 88.45 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.594 178.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.52 HD11 ' CB ' ' B' ' 95' ' ' SER . 8.1 tp -57.02 -34.07 67.81 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.823 178.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.467 ' HB2' ' HB3' ' A' ' 26' ' ' SER . 5.6 ttp180 -60.6 -43.0 97.91 Favored 'General case' 0 CA--C 1.518 -0.278 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 178.696 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.23 -38.27 79.59 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.407 179.08 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.508 ' HB2' ' NE2' ' B' ' 91' ' ' GLN . 27.8 p -62.07 -51.46 67.85 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.174 0.511 . . . . 0.0 110.431 179.474 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 1.07 HD11 HD12 ' A' ' 25' ' ' LEU . 37.8 mt -55.85 -42.88 72.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.273 179.399 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.37 -43.51 79.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.835 179.645 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.455 ' HB3' ' CB ' ' B' ' 88' ' ' ALA . 9.8 mtt180 -55.7 -49.07 74.0 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-O 121.261 0.553 . . . . 0.0 109.927 179.346 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.749 HG12 ' CD2' ' A' ' 44' ' ' PHE . 21.6 t -60.18 -33.81 54.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.662 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.762 HD12 ' O ' ' A' ' 15' ' ' LEU . 13.0 mm -70.06 -55.38 14.95 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.719 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.1 p -60.86 -49.28 78.11 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-O 120.922 0.391 . . . . 0.0 110.809 -179.177 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.556 HD13 ' HA ' ' B' ' 85' ' ' ALA . 11.1 mt -59.97 -32.28 49.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.079 179.358 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.776 ' CD1' HG23 ' A' ' 11' ' ' THR . 0.2 OUTLIER -72.51 -57.17 4.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.139 179.767 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.438 ' HG2' ' O ' ' A' ' 41' ' ' ILE . 19.5 pt20 -79.43 1.13 26.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.227 -178.229 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.451 ' CB ' ' CE1' ' B' ' 129' ' ' TYR . 0.1 OUTLIER -53.49 137.71 35.5 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.939 0.399 . . . . 0.0 110.78 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -56.36 -32.46 64.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.489 -179.552 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.864 ' O ' HD12 ' A' ' 48' ' ' LEU . 0.4 OUTLIER -79.73 -46.61 16.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.756 0.312 . . . . 0.0 111.09 -179.725 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.662 ' CE1' HD23 ' B' ' 126' ' ' LEU . 41.9 t80 -51.26 -53.5 34.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.598 -179.597 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -54.28 -40.86 68.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.821 0.344 . . . . 0.0 111.049 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.431 ' HB1' HG23 ' D' ' 132' ' ' ILE . . . -58.48 -45.1 89.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.057 0.456 . . . . 0.0 110.648 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.526 HD21 ' HB3' ' B' ' 128' ' ' LEU . 5.6 mt -61.94 -44.72 96.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.307 179.479 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.871 HG12 HD13 ' B' ' 125' ' ' LEU . 23.0 mt -51.46 -39.49 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.976 178.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -65.58 -39.53 91.74 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.104 179.157 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.682 HG22 ' HB2' ' A' ' 59' ' ' TYR . 4.9 mm -52.65 -40.85 35.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.842 179.502 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -50.28 -22.45 1.79 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.946 -179.687 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.421 ' O ' ' CG ' ' A' ' 58' ' ' PHE . 0.6 OUTLIER -44.66 -48.77 10.58 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.512 0.196 . . . . 0.0 111.525 -179.63 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.514 ' CD2' ' HB3' ' C' ' 65' ' ' ASP . 66.0 m-85 -156.24 44.57 0.42 Allowed 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.949 0.404 . . . . 0.0 111.637 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.682 ' HB2' HG22 ' A' ' 55' ' ' ILE . 42.4 m-85 -139.68 67.35 1.38 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.642 179.388 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.418 ' HB2' ' HB ' ' C' ' 62' ' ' THR . 3.1 mt-10 -53.72 93.21 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.976 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.632 HG23 HG21 ' B' ' 124' ' ' THR . 0.0 OUTLIER -78.21 96.87 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.868 0.366 . . . . 0.0 111.101 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.428 ' HB ' ' HB2' ' C' ' 60' ' ' GLU . 11.7 m -78.12 120.09 22.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.394 179.716 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.81 HD11 ' CE2' ' C' ' 59' ' ' TYR . 0.8 OUTLIER -92.38 135.43 34.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.04 -179.876 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.753 HD23 ' N ' ' A' ' 64' ' ' LEU . 0.1 OUTLIER -118.38 -25.25 6.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.078 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.52 ' HB2' ' CG ' ' C' ' 58' ' ' PHE . 33.8 t70 -104.3 8.82 36.08 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.383 179.77 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.446 ' HB3' ' HB3' ' A' ' 63' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.465 0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.416 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.285 0 N-CA-C 110.524 -1.03 . . . . 0.0 110.524 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.898 ' O ' HD12 ' B' ' 82' ' ' LEU . 0.1 OUTLIER -87.42 -34.95 18.56 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 114.504 -0.848 . . . . 0.0 109.415 179.139 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 83' ' ' LEU . . . . . 0.922 HD23 ' H ' ' B' ' 84' ' ' ALA . 0.0 OUTLIER -69.97 -55.49 9.49 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.046 -179.816 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.922 ' H ' HD23 ' B' ' 83' ' ' LEU . . . -64.34 -29.36 70.44 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.066 -0.515 . . . . 0.0 112.028 -178.094 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 85' ' ' ALA . . . . . 0.91 ' HB1' ' HB3' ' B' ' 126' ' ' LEU . . . -53.69 -24.67 15.31 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.914 0.388 . . . . 0.0 110.674 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -124.2 -45.29 1.98 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.011 -0.541 . . . . 0.0 109.788 178.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 87' ' ' ARG . . . . . 0.688 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 6.1 ttt-85 -57.69 -52.97 63.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.031 178.802 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 88' ' ' ALA . . . . . 0.738 ' HB3' ' O ' ' B' ' 84' ' ' ALA . . . -56.47 -43.83 79.98 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.32 -0.854 . . . . 0.0 111.193 -179.722 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 89' ' ' VAL . . . . . 0.49 ' CG1' ' HB3' ' B' ' 117' ' ' PHE . 21.5 t -59.25 -35.24 56.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.073 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 3.7 t -76.06 -29.66 58.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.813 -179.489 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 91' ' ' GLN . . . . . 0.617 ' NE2' ' HA ' ' B' ' 88' ' ' ALA . 11.7 mt-30 -66.45 -55.21 16.78 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-O 121.395 0.617 . . . . 0.0 109.511 179.597 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 92' ' ' VAL . . . . . 0.733 HG11 HD22 ' A' ' 18' ' ' LEU . 3.3 t -65.72 -28.31 43.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.278 179.246 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 93' ' ' LEU . . . . . 0.725 HD21 ' HA ' ' B' ' 114' ' ' HIS . 2.7 mt -67.09 -32.92 74.4 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.009 179.6 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -86.73 -39.49 15.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.762 0.315 . . . . 0.0 111.313 -179.625 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 95' ' ' SER . . . . . 0.52 ' CB ' HD11 ' A' ' 33' ' ' LEU . 0.8 OUTLIER -79.86 -17.88 52.11 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -179.293 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 96' ' ' LEU . . . . . 0.993 HD22 HD22 ' B' ' 110' ' ' LEU . 0.2 OUTLIER -39.47 -52.33 2.12 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -179.366 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 97' ' ' GLU . . . . . 0.405 ' HA ' ' CD1' ' B' ' 110' ' ' LEU . 70.4 mt-10 -68.33 -28.86 67.51 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.3 -179.466 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 98' ' ' GLU . . . . . 0.827 ' O ' ' HB3' ' B' ' 101' ' ' ALA . 0.1 OUTLIER -70.19 -34.4 72.89 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 177.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 99' ' ' ILE . . . . . 0.602 HG23 HG21 ' B' ' 103' ' ' THR . 62.1 mt -62.97 -49.97 81.48 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.822 0 CA-C-N 114.57 -1.195 . . . . 0.0 109.653 178.52 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 100' ' ' HIS . . . . . 0.745 ' HB2' HD11 ' B' ' 110' ' ' LEU . 0.2 OUTLIER -54.9 -34.39 63.04 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 178.08 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 101' ' ' ALA . . . . . 0.827 ' HB3' ' O ' ' B' ' 98' ' ' GLU . . . -56.21 -46.6 79.41 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 114.311 -1.313 . . . . 0.0 111.946 179.349 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 102' ' ' LEU . . . . . 0.661 HD12 HG23 ' B' ' 103' ' ' THR . 0.4 OUTLIER -117.43 30.28 7.39 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.516 -0.765 . . . . 0.0 112.72 -177.591 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 103' ' ' THR . . . . . 0.661 HG23 HD12 ' B' ' 102' ' ' LEU . 44.3 p -145.02 -31.12 0.42 Allowed 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 111.694 0.257 . . . . 0.0 111.694 179.707 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 3.0 t0 74.85 24.56 1.57 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.058 0.456 . . . . 0.0 110.511 -179.359 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 105' ' ' SER . . . . . 0.445 ' HB3' ' CZ ' ' A' ' 21' ' ' TYR . 4.0 m -62.31 -14.67 41.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.305 179.686 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 106' ' ' SER . . . . . 0.423 ' CB ' ' O ' ' B' ' 105' ' ' SER . 4.0 t 80.96 121.82 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.945 0.402 . . . . 0.0 110.968 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -54.15 -29.0 43.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.984 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 22.1 mmtm -56.72 -54.14 49.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.066 0.46 . . . . 0.0 110.354 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 109' ' ' ASP . . . . . 0.636 ' O ' HD12 ' B' ' 113' ' ' LEU . 1.2 m-20 -62.03 -37.61 85.57 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.958 179.125 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 110' ' ' LEU . . . . . 0.993 HD22 HD22 ' B' ' 96' ' ' LEU . 31.2 mt -61.83 -42.47 99.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.267 179.297 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -60.18 -43.27 96.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.573 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 112' ' ' PHE . . . . . 0.542 ' O ' HG23 ' B' ' 116' ' ' VAL . 0.4 OUTLIER -58.84 -42.61 89.69 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.374 179.635 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 113' ' ' LEU . . . . . 0.696 HD11 ' CD1' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -72.18 -33.61 67.8 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.793 -179.864 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 114' ' ' HIS . . . . . 0.962 ' CD2' HD12 ' B' ' 96' ' ' LEU . 36.2 m170 -58.09 -35.9 72.09 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 178.1 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 115' ' ' SER . . . . . 0.41 ' HA ' ' HB2' ' B' ' 118' ' ' GLN . 46.5 t -73.2 -40.13 65.01 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.034 178.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 116' ' ' VAL . . . . . 0.915 HG11 ' CB ' ' A' ' 14' ' ' ALA . 66.5 t -61.01 -23.21 29.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.727 178.492 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 117' ' ' PHE . . . . . 0.613 ' CZ ' HD11 ' A' ' 18' ' ' LEU . 6.2 m-30 -106.79 -17.23 14.27 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.684 -179.643 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 118' ' ' GLN . . . . . 0.624 HE22 ' HB3' ' B' ' 114' ' ' HIS . 0.0 OUTLIER -77.69 -30.49 51.92 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.716 0.294 . . . . 0.0 111.352 -179.471 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -48.27 139.06 9.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.918 0.39 . . . . 0.0 111.56 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 5.4 tm0? -80.28 -41.25 25.31 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.681 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 4.5 m170 -56.04 -34.3 65.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.471 179.522 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 122' ' ' LEU . . . . . 0.842 HD12 HD12 ' B' ' 125' ' ' LEU . 34.7 tp -56.2 -47.26 78.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.229 179.606 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 123' ' ' HIS . . . . . 0.996 ' HA ' HD12 ' B' ' 126' ' ' LEU . 0.3 OUTLIER -56.67 -23.79 44.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.192 179.058 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 124' ' ' THR . . . . . 0.682 HG23 HD11 ' A' ' 63' ' ' LEU . 6.3 m -74.85 -39.15 61.76 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 178.745 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 125' ' ' LEU . . . . . 0.871 HD13 HG12 ' A' ' 53' ' ' ILE . 6.6 mt -70.64 -33.87 71.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.508 178.494 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 126' ' ' LEU . . . . . 0.996 HD12 ' HA ' ' B' ' 123' ' ' HIS . 6.1 mt -73.45 -50.38 21.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.633 179.527 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 127' ' ' ASP . . . . . 0.405 ' HA ' ' OD2' ' B' ' 130' ' ' ASP . 6.1 t0 -63.2 -40.29 97.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.713 179.699 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 128' ' ' LEU . . . . . 0.858 HD21 ' CD2' ' C' ' 59' ' ' TYR . 46.6 mt -72.89 -33.63 66.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.008 179.452 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 129' ' ' TYR . . . . . 0.451 ' CE1' ' CB ' ' A' ' 46' ' ' SER . 11.4 t80 -56.04 -47.04 78.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.119 179.727 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 130' ' ' ASP . . . . . 0.866 ' OD1' HD22 ' B' ' 82' ' ' LEU . 2.8 p30 -74.79 -34.6 62.44 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.251 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.98 -54.24 45.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.443 -179.334 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 132' ' ' ILE . . . . . 0.887 HG23 ' HB1' ' C' ' 51' ' ' ALA . 1.6 mt -73.59 -37.24 49.43 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 CA-C-O 120.963 0.411 . . . . 0.0 110.765 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 133' ' ' ASN . . . . . 0.724 ' HB2' HD23 ' A' ' 48' ' ' LEU . 11.5 t-20 -68.03 -25.79 65.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.966 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 134' ' ' THR . . . . . 0.576 HG22 ' O ' ' B' ' 134' ' ' THR . 85.1 m -108.75 8.32 26.75 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.203 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 135' ' ' LYS . . . . . 0.452 ' HG3' ' N ' ' B' ' 136' ' ' SER . 0.0 OUTLIER -82.98 -55.04 4.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.909 0.385 . . . . 0.0 110.53 -179.842 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 136' ' ' SER . . . . . 0.452 ' N ' ' HG3' ' B' ' 135' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--N 1.327 -0.411 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.921 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 7' ' ' ARG . . . . . 0.454 ' O ' HG23 ' C' ' 11' ' ' THR . 14.4 ttm105 . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.94 -42.79 99.92 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 121.216 0.531 . . . . 0.0 109.661 178.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -75.59 -32.13 60.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.163 179.124 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -75.12 -29.91 60.68 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.388 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 11' ' ' THR . . . . . 0.454 HG23 ' O ' ' C' ' 7' ' ' ARG . 6.2 p -72.35 -47.98 45.35 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.352 179.635 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 12' ' ' GLN . . . . . 0.492 ' HA ' HD23 ' C' ' 15' ' ' LEU . 0.9 OUTLIER -63.78 -36.36 83.64 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 120.874 -0.331 . . . . 0.0 110.354 179.637 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 5.4 ttt180 -73.32 -25.89 60.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.082 179.128 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 14' ' ' ALA . . . . . 0.932 ' CB ' HG11 ' D' ' 116' ' ' VAL . . . -78.61 -54.94 5.59 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 178.792 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 15' ' ' LEU . . . . . 0.796 ' O ' HD12 ' C' ' 41' ' ' ILE . 0.3 OUTLIER -62.88 -28.68 70.21 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.82 179.371 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 16' ' ' HIS . . . . . . . . . . . . . 20.1 t60 -73.34 -44.26 59.14 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 178.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 17' ' ' LEU . . . . . 0.792 HD22 ' CE1' ' C' ' 21' ' ' TYR . 2.5 mt -61.89 -45.41 93.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.904 179.185 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 18' ' ' LEU . . . . . 0.753 ' HB3' HD11 ' C' ' 41' ' ' ILE . 10.5 mt -58.76 -40.39 83.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.41 179.528 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.54 -47.62 81.53 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.734 179.662 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -69.18 -32.71 72.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.831 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 21' ' ' TYR . . . . . 0.792 ' CE1' HD22 ' C' ' 17' ' ' LEU . 11.6 m-30 -65.35 -47.9 74.87 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.873 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 22' ' ' ARG . . . . . 0.503 ' HA ' HD12 ' C' ' 37' ' ' ILE . 4.1 ptm180 -59.98 -43.2 95.28 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-O 120.87 0.367 . . . . 0.0 110.608 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.26 -40.2 73.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.359 179.266 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 24' ' ' LYS . . . . . 0.478 ' O ' HG22 ' D' ' 103' ' ' THR . 6.9 ptmt -98.96 6.16 46.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.549 179.595 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 25' ' ' LEU . . . . . 0.95 HD12 HD11 ' C' ' 37' ' ' ILE . 0.4 OUTLIER -94.44 -67.76 0.84 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.931 0.396 . . . . 0.0 111.099 -179.841 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 26' ' ' SER . . . . . 0.419 ' HB3' ' HB2' ' C' ' 34' ' ' ARG . 1.6 p -59.79 -160.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.935 -179.462 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 27' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 59.28 30.05 19.72 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.567 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 28' ' ' THR . . . . . 0.671 HG23 ' H ' ' C' ' 29' ' ' GLU . 4.5 t -152.14 -59.3 0.15 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.99 -179.546 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 29' ' ' GLU . . . . . 0.671 ' H ' HG23 ' C' ' 28' ' ' THR . 18.4 pt-20 -176.67 28.36 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.263 -0.88 . . . . 0.0 111.305 -179.378 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -145.52 49.41 1.24 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.916 0.389 . . . . 0.0 111.007 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.23 -55.15 27.35 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.406 0.622 . . . . 0.0 110.562 179.735 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -52.95 -47.88 67.77 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.622 178.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 33' ' ' LEU . . . . . 0.604 HD11 ' CB ' ' D' ' 95' ' ' SER . 14.9 tp -55.95 -32.26 63.68 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.826 178.698 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 34' ' ' ARG . . . . . 0.419 ' HB2' ' HB3' ' C' ' 26' ' ' SER . 7.6 ttp180 -60.77 -43.12 98.44 Favored 'General case' 0 CA--C 1.518 -0.257 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 178.605 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 35' ' ' SER . . . . . 0.536 ' O ' ' HG3' ' C' ' 38' ' ' GLU . 3.5 t -60.99 -34.1 74.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.388 -0.823 . . . . 0.0 109.813 178.811 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 36' ' ' SER . . . . . 0.552 ' O ' ' HB2' ' C' ' 39' ' ' ARG . 0.9 OUTLIER -62.74 -46.07 89.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.638 179.431 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 37' ' ' ILE . . . . . 0.95 HD11 HD12 ' C' ' 25' ' ' LEU . 44.7 mt -60.02 -49.77 82.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.074 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 38' ' ' GLU . . . . . 0.536 ' HG3' ' O ' ' C' ' 35' ' ' SER . 6.2 pt-20 -58.74 -31.42 68.31 Favored 'General case' 0 CA--C 1.519 -0.234 0 N-CA-C 110.175 -0.306 . . . . 0.0 110.175 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 39' ' ' ARG . . . . . 0.552 ' HB2' ' O ' ' C' ' 36' ' ' SER . 7.1 mtt180 -57.04 -54.52 45.86 Favored 'General case' 0 CA--C 1.514 -0.413 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 178.061 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 40' ' ' VAL . . . . . 0.534 ' O ' ' HB2' ' C' ' 44' ' ' PHE . 41.2 t -60.76 -30.9 48.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 114.875 -1.057 . . . . 0.0 110.386 179.221 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 41' ' ' ILE . . . . . 0.796 HD12 ' O ' ' C' ' 15' ' ' LEU . 4.3 mm -68.82 -51.4 45.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.778 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 13.6 t -68.12 -47.03 69.27 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-O 120.823 0.344 . . . . 0.0 111.195 -179.124 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 43' ' ' ILE . . . . . . . . . . . . . 6.0 mt -59.64 -33.69 52.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.395 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 44' ' ' PHE . . . . . 0.744 ' HB3' HD22 ' C' ' 15' ' ' LEU . 2.8 m-85 -72.63 -57.18 4.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.982 -0.554 . . . . 0.0 112.019 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 45' ' ' GLN . . . . . 0.419 ' HG2' ' O ' ' C' ' 41' ' ' ILE . 18.4 pt20 -77.65 -2.97 38.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.263 -178.126 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.19 151.77 1.95 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.917 0.389 . . . . 0.0 111.309 -179.718 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.89 -39.41 90.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.107 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 48' ' ' LEU . . . . . 0.703 HD12 ' HA ' ' D' ' 129' ' ' TYR . 0.4 OUTLIER -71.63 -42.42 67.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.147 179.853 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 49' ' ' PHE . . . . . 0.635 ' HA ' HD11 ' C' ' 52' ' ' LEU . 12.1 t80 -50.71 -56.28 12.69 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.128 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -56.7 -22.71 36.97 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.981 0.42 . . . . 0.0 110.389 179.18 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 51' ' ' ALA . . . . . 0.887 ' HB1' HG23 ' B' ' 132' ' ' ILE . . . -68.16 -53.48 24.76 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.982 -0.553 . . . . 0.0 112.482 -179.33 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 52' ' ' LEU . . . . . 0.992 ' H ' HD13 ' C' ' 52' ' ' LEU . 0.0 OUTLIER -68.38 -30.5 69.45 Favored 'General case' 0 N--CA 1.461 0.111 0 C-N-CA 119.733 -0.787 . . . . 0.0 111.182 -179.406 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 53' ' ' ILE . . . . . 0.702 ' N ' HD22 ' C' ' 52' ' ' LEU . 23.5 mt -62.61 -43.48 98.54 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 178.786 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.84 -39.03 93.11 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.64 178.717 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 55' ' ' ILE . . . . . 0.61 HG22 ' HB2' ' C' ' 59' ' ' TYR . 71.3 mt -61.41 -45.36 98.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.338 179.166 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 56' ' ' GLN . . . . . 0.511 ' NE2' HD21 ' D' ' 125' ' ' LEU . 1.4 mt-30 -50.96 -23.25 2.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.554 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 57' ' ' GLU . . . . . 0.421 ' O ' ' CD2' ' C' ' 58' ' ' PHE . 6.2 mm-40 -44.48 -37.74 3.67 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 120.8 0.334 . . . . 0.0 111.393 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 58' ' ' PHE . . . . . 0.52 ' CG ' ' HB2' ' A' ' 65' ' ' ASP . 74.3 m-85 -156.64 31.58 0.32 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.389 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 59' ' ' TYR . . . . . 0.858 ' CD2' HD21 ' B' ' 128' ' ' LEU . 19.6 m-85 -135.18 71.89 1.44 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.618 179.667 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 60' ' ' GLU . . . . . 0.428 ' HB2' ' HB ' ' A' ' 62' ' ' THR . 1.7 mm-40 -57.73 100.45 0.05 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.849 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 61' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -72.39 96.93 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 121.013 0.435 . . . . 0.0 110.724 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 62' ' ' THR . . . . . 0.427 HG22 ' O ' ' C' ' 62' ' ' THR . 16.3 m -83.24 87.94 6.94 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.008 -179.596 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 63' ' ' LEU . . . . . 0.638 HD12 ' CE1' ' A' ' 59' ' ' TYR . 1.1 tt -65.25 144.82 56.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.202 179.411 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 64' ' ' LEU . . . . . 0.607 ' N ' HD23 ' C' ' 64' ' ' LEU . 0.3 OUTLIER -139.07 -14.06 1.18 Allowed 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 -178.75 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 65' ' ' ASP . . . . . 0.514 ' HB3' ' CD2' ' A' ' 58' ' ' PHE . 9.6 t0 -142.9 -40.45 0.32 Allowed 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 113.029 0.752 . . . . 0.0 113.029 -179.243 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 66' ' ' ASN . . . . . 0.51 ' HB2' HD21 ' C' ' 63' ' ' LEU . 4.6 m120 . . . . . 0 N--CA 1.468 0.439 0 CA-C-O 120.879 0.371 . . . . 0.0 111.065 -179.371 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 82' ' ' LEU . . . . . 0.827 ' O ' HD23 ' D' ' 82' ' ' LEU . 9.4 tt -121.91 -16.62 7.55 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 122.654 0.382 . . . . 0.0 111.415 -179.125 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 83' ' ' LEU . . . . . 0.956 HD23 ' H ' ' D' ' 84' ' ' ALA . 0.4 OUTLIER -81.98 -43.21 18.33 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-O 120.873 0.368 . . . . 0.0 111.056 -179.179 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 84' ' ' ALA . . . . . 0.956 ' H ' HD23 ' D' ' 83' ' ' LEU . . . -70.14 -24.03 63.11 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.696 -179.302 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 85' ' ' ALA . . . . . 0.92 ' HB1' ' CB ' ' D' ' 126' ' ' LEU . . . -53.34 -27.25 22.44 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.204 0.526 . . . . 0.0 110.272 179.155 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 86' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -122.39 -41.51 2.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.529 -0.759 . . . . 0.0 109.713 178.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 87' ' ' ARG . . . . . 0.644 ' HB3' ' O ' ' D' ' 83' ' ' LEU . 17.3 ttt180 -62.01 -48.72 79.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.071 179.044 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 88' ' ' ALA . . . . . 0.771 ' HB3' ' O ' ' D' ' 84' ' ' ALA . . . -66.53 -42.5 87.14 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.116 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 89' ' ' VAL . . . . . 0.726 HG13 ' CD1' ' D' ' 117' ' ' PHE . 45.2 t -66.4 -41.99 89.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.02 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 12.1 t -75.54 -38.97 58.93 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.723 -179.591 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 91' ' ' GLN . . . . . 0.436 ' NE2' ' HA ' ' D' ' 88' ' ' ALA . 5.5 pt20 -67.61 -50.36 58.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.059 0.456 . . . . 0.0 109.932 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 92' ' ' VAL . . . . . 0.653 HG23 ' O ' ' D' ' 88' ' ' ALA . 44.0 t -65.45 -27.71 42.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.378 178.098 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 93' ' ' LEU . . . . . 0.652 HD21 ' HA ' ' D' ' 114' ' ' HIS . 2.1 mt -61.72 -45.69 92.86 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.197 179.409 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -76.22 -24.77 54.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.903 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 95' ' ' SER . . . . . 0.604 ' CB ' HD11 ' C' ' 33' ' ' LEU . 13.6 p -77.75 -28.27 50.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.583 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 96' ' ' LEU . . . . . 0.838 HD22 HD22 ' D' ' 110' ' ' LEU . 0.2 OUTLIER -38.36 -52.57 1.53 Allowed 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -179.218 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -70.14 -29.86 66.88 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.957 0.408 . . . . 0.0 111.151 -179.288 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 98' ' ' GLU . . . . . 0.821 ' O ' ' HB3' ' D' ' 101' ' ' ALA . 0.0 OUTLIER -69.63 -33.07 72.12 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 177.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 99' ' ' ILE . . . . . 0.507 HG23 HG21 ' D' ' 103' ' ' THR . 47.3 mt -64.12 -49.41 81.5 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.834 0 CA-C-N 114.605 -1.179 . . . . 0.0 109.678 178.61 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 100' ' ' HIS . . . . . 0.865 ' HB2' HD11 ' D' ' 110' ' ' LEU . 0.2 OUTLIER -55.63 -33.17 63.77 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 178.057 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 101' ' ' ALA . . . . . 0.821 ' HB3' ' O ' ' D' ' 98' ' ' GLU . . . -57.51 -46.57 83.63 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 114.403 -1.272 . . . . 0.0 111.949 179.345 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 102' ' ' LEU . . . . . 0.684 HD12 HG23 ' D' ' 103' ' ' THR . 0.4 OUTLIER -117.25 30.8 7.1 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -177.438 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 103' ' ' THR . . . . . 0.684 HG23 HD12 ' D' ' 102' ' ' LEU . 37.9 p -147.33 -33.24 0.28 Allowed 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.85 -0.34 . . . . 0.0 111.453 179.422 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 68.26 28.6 6.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.936 0.398 . . . . 0.0 110.447 -179.59 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 105' ' ' SER . . . . . 0.421 ' HB3' ' CE1' ' C' ' 21' ' ' TYR . 12.2 m -52.19 -77.36 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.903 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 106' ' ' SER . . . . . . . . . . . . . 1.4 m 173.55 106.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.573 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -49.82 -37.97 32.72 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.882 0.372 . . . . 0.0 110.722 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.44 -45.94 81.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.857 179.161 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 109' ' ' ASP . . . . . 0.593 ' O ' HD12 ' D' ' 113' ' ' LEU . 5.4 m-20 -62.44 -37.3 85.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.88 179.121 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 110' ' ' LEU . . . . . 0.865 HD11 ' HB2' ' D' ' 100' ' ' HIS . 14.1 mt -59.04 -47.48 85.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.153 179.312 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 111' ' ' ASP . . . . . 0.465 ' HA ' ' HD2' ' D' ' 114' ' ' HIS . 2.3 m-20 -59.19 -40.32 85.35 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.749 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 112' ' ' PHE . . . . . 0.707 ' O ' HG23 ' D' ' 116' ' ' VAL . 2.8 t80 -58.51 -42.01 86.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.517 179.749 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 113' ' ' LEU . . . . . 0.682 ' HB2' HD11 ' D' ' 96' ' ' LEU . 0.5 OUTLIER -72.09 -32.1 66.71 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.006 -179.832 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 114' ' ' HIS . . . . . 0.652 ' HA ' HD21 ' D' ' 93' ' ' LEU . 0.0 OUTLIER -59.7 -36.51 76.66 Favored 'General case' 0 CA--C 1.516 -0.332 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 178.427 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.25 -35.95 63.83 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 178.449 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 116' ' ' VAL . . . . . 0.932 HG11 ' CB ' ' C' ' 14' ' ' ALA . 72.7 t -61.79 -23.38 31.0 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.241 178.61 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 117' ' ' PHE . . . . . 0.726 ' CD1' HG13 ' D' ' 89' ' ' VAL . 38.6 m-85 -105.98 -28.65 10.43 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.412 -179.748 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 118' ' ' GLN . . . . . 0.509 ' NE2' ' ND1' ' D' ' 114' ' ' HIS . 0.0 OUTLIER -67.56 -28.41 67.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.37 -179.427 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -44.45 123.7 3.71 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.635 -179.604 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 120' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -64.54 -48.78 73.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.719 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 121' ' ' HIS . . . . . 0.404 ' O ' ' HG ' ' D' ' 125' ' ' LEU . 0.4 OUTLIER -55.9 -34.3 65.43 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.681 179.684 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 122' ' ' LEU . . . . . 0.857 HD22 ' O ' ' D' ' 116' ' ' VAL . 36.6 tp -56.0 -47.95 76.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.31 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 123' ' ' HIS . . . . . 0.662 ' HA ' HD12 ' D' ' 126' ' ' LEU . 12.8 m170 -53.88 -26.36 24.44 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.059 0.457 . . . . 0.0 110.139 178.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 124' ' ' THR . . . . . 0.532 HG22 HD11 ' D' ' 128' ' ' LEU . 10.5 m -78.51 -30.49 47.16 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.526 178.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 125' ' ' LEU . . . . . 0.794 HD12 HD12 ' D' ' 122' ' ' LEU . 62.5 mt -66.45 -47.16 74.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.179 -0.919 . . . . 0.0 111.133 179.7 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 126' ' ' LEU . . . . . 0.92 ' CB ' ' HB1' ' D' ' 85' ' ' ALA . 0.1 OUTLIER -73.11 -37.58 66.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.902 0.382 . . . . 0.0 110.797 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 127' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -58.99 -49.77 76.62 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.103 0.478 . . . . 0.0 110.182 179.377 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 128' ' ' LEU . . . . . 0.663 HD21 ' CE1' ' A' ' 59' ' ' TYR . 12.4 mt -71.0 -28.81 64.69 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.11 179.118 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 129' ' ' TYR . . . . . 0.703 ' HA ' HD12 ' C' ' 48' ' ' LEU . 13.1 t80 -54.87 -52.93 61.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.911 -179.383 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 130' ' ' ASP . . . . . 0.448 ' OD2' ' HB2' ' D' ' 82' ' ' LEU . 4.0 t70 -77.51 -31.27 53.37 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.08 179.137 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.68 -51.99 63.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.081 -179.459 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 132' ' ' ILE . . . . . 0.431 HG23 ' HB1' ' A' ' 51' ' ' ALA . 3.1 mt -78.57 -38.44 22.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.968 0.414 . . . . 0.0 111.149 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 133' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -67.48 -26.31 66.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.367 -179.395 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 134' ' ' THR . . . . . . . . . . . . . 88.7 m -88.65 -39.47 14.02 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.271 -179.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.7 -32.63 73.41 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.599 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 136' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.237 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.0 tttm -64.13 -37.82 88.85 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 121.111 0.481 . . . . 0.0 109.739 179.344 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 17.0 mm100 -77.46 -27.21 51.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.099 178.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.461 ' HB3' HG22 ' B' ' 116' ' ' VAL . 12.7 m-20 -79.25 -33.07 43.9 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.487 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.4 p -74.85 -40.36 61.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.568 179.682 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.463 ' HA ' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -70.98 -36.55 72.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.167 179.341 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.85 -26.4 60.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.864 179.03 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.943 ' CB ' HG11 ' B' ' 116' ' ' VAL . . . -78.41 -54.73 5.86 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 178.788 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.722 HD22 ' HB3' ' A' ' 44' ' ' PHE . 0.3 OUTLIER -61.11 -25.18 66.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.478 179.052 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.9 m170 -73.42 -47.02 45.06 Favored 'General case' 0 CA--C 1.518 -0.25 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 178.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.933 HD22 ' CE1' ' A' ' 21' ' ' TYR . 3.5 mt -62.34 -33.43 74.69 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.635 -0.712 . . . . 0.0 109.564 178.817 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.857 ' CD2' HG11 ' B' ' 92' ' ' VAL . 27.5 mt -63.84 -50.19 69.87 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.024 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.418 ' O ' ' HG2' ' A' ' 22' ' ' ARG . 0.2 OUTLIER -61.35 -34.32 75.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.146 -179.815 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.423 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 0.5 OUTLIER -74.38 -41.38 61.07 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.243 179.821 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.933 ' CE1' HD22 ' A' ' 17' ' ' LEU . 10.2 m-30 -65.31 -49.26 70.14 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.188 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.432 ' HG3' ' N ' ' A' ' 23' ' ' SER . 3.4 ptm180 -55.85 -40.76 73.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.961 0.41 . . . . 0.0 110.441 179.248 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.432 ' N ' ' HG3' ' A' ' 22' ' ' ARG . 0.2 OUTLIER -61.33 -34.24 74.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.684 179.457 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -115.4 21.58 13.95 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.879 0.371 . . . . 0.0 111.536 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.717 ' CD1' HD11 ' A' ' 37' ' ' ILE . 0.0 OUTLIER -112.18 -53.5 2.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.9 -179.77 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.539 ' CB ' ' HB2' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -71.94 -19.26 61.93 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.999 -178.929 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.438 ' OE1' ' NH1' ' A' ' 31' ' ' ARG . 0.2 OUTLIER -72.71 58.0 0.43 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.919 0.39 . . . . 0.0 110.784 -179.68 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.622 HG23 ' N ' ' A' ' 29' ' ' GLU . 8.5 t -175.8 -57.21 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.682 -179.744 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.622 ' N ' HG23 ' A' ' 28' ' ' THR . 16.8 pt-20 -173.19 29.33 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.907 -179.123 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.466 ' O ' ' HB2' ' A' ' 26' ' ' SER . 1.2 m-20 -139.13 44.56 2.01 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.938 0.399 . . . . 0.0 111.41 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.494 ' HA ' ' HB2' ' A' ' 26' ' ' SER . 17.0 mmm180 -54.55 -53.14 58.39 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 121.135 0.493 . . . . 0.0 110.671 179.726 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -55.62 -41.89 74.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.969 179.252 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.454 HD11 ' CB ' ' B' ' 95' ' ' SER . 4.2 tp -57.31 -32.63 66.87 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.245 179.147 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.582 ' HA ' HD12 ' A' ' 37' ' ' ILE . 4.2 ttp180 -63.37 -47.68 81.07 Favored 'General case' 0 CA--C 1.515 -0.38 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 178.592 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.2 m -54.71 -36.5 64.78 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.844 -1.071 . . . . 0.0 111.073 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.524 ' HB3' ' NE2' ' B' ' 91' ' ' GLN . 1.0 OUTLIER -70.57 -48.24 56.26 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.981 0.42 . . . . 0.0 110.105 179.507 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.72 HG23 HD22 ' A' ' 18' ' ' LEU . 9.1 mt -60.61 -36.45 70.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.302 0.572 . . . . 0.0 109.823 178.64 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.402 ' HG2' ' NE ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -64.82 -52.18 58.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.006 -0.997 . . . . 0.0 112.168 -179.334 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.428 ' HG2' ' O ' ' A' ' 36' ' ' SER . 5.9 ptp180 -55.76 -38.57 70.03 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.527 -0.469 . . . . 0.0 109.937 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.518 HG12 ' CD1' ' A' ' 44' ' ' PHE . 95.5 t -61.98 -41.61 91.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 178.3 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.689 HD12 ' O ' ' A' ' 15' ' ' LEU . 9.7 mm -54.8 -54.72 20.55 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.481 179.595 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 18.5 p -60.86 -47.84 84.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.854 0.359 . . . . 0.0 110.724 -179.486 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.737 HG23 ' CE2' ' B' ' 129' ' ' TYR . 13.2 mt -59.68 -34.82 56.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.082 179.17 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.722 ' HB3' HD22 ' A' ' 15' ' ' LEU . 1.5 m-85 -72.43 -56.69 5.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.928 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -79.88 -1.36 38.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.752 -178.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.489 ' CB ' ' CE1' ' B' ' 129' ' ' TYR . 0.4 OUTLIER -49.19 136.73 14.76 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.828 0.347 . . . . 0.0 111.086 -179.893 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -55.52 -34.46 64.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.108 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.764 ' O ' HD12 ' A' ' 48' ' ' LEU . 2.0 tp -79.48 -45.04 20.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.959 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.609 ' CE1' HD23 ' B' ' 126' ' ' LEU . 55.0 t80 -51.04 -52.24 45.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.157 -179.635 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.25 -34.95 71.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.901 0.381 . . . . 0.0 110.507 179.702 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' A' ' 48' ' ' LEU . . . -59.72 -46.21 89.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.682 179.622 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.434 HD13 ' O ' ' B' ' 125' ' ' LEU . 3.5 mt -61.34 -44.85 96.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.289 179.536 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.803 HG12 HD13 ' B' ' 125' ' ' LEU . 56.3 mt -53.46 -40.27 40.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.665 179.505 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.99 -41.26 91.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.46 179.577 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.766 HG22 ' HB2' ' A' ' 59' ' ' TYR . 55.5 mt -58.77 -34.05 50.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.873 179.643 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -54.03 -20.98 7.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.843 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.411 ' O ' ' CG ' ' A' ' 58' ' ' PHE . 0.2 OUTLIER -46.7 -38.18 9.48 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-O 120.655 0.264 . . . . 0.0 111.493 -179.729 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.411 ' CG ' ' O ' ' A' ' 57' ' ' GLU . 94.5 m-85 -157.52 38.8 0.28 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.65 -179.69 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.915 ' CD2' HD21 ' D' ' 128' ' ' LEU . 57.4 m-85 -139.16 75.42 1.51 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.747 179.653 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.433 ' HG3' HD22 ' C' ' 64' ' ' LEU . 2.8 mt-10 -65.37 90.72 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.662 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.648 HG23 HG21 ' B' ' 124' ' ' THR . 0.0 OUTLIER -72.62 104.51 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.958 0.409 . . . . 0.0 111.015 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.2 m -88.86 107.81 19.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.652 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.795 HD21 ' HB3' ' A' ' 66' ' ' ASN . 0.1 OUTLIER -77.1 142.09 39.93 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.49 179.689 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.697 HD23 ' N ' ' A' ' 64' ' ' LEU . 0.1 OUTLIER -121.73 -24.51 5.26 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -179.609 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -177.69 -20.32 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.795 ' HB3' HD21 ' A' ' 63' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.466 0.364 0 CA-C-O 120.937 0.398 . . . . 0.0 111.482 -179.536 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.648 0 N-CA-C 110.706 -0.958 . . . . 0.0 110.706 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.834 HD23 ' N ' ' B' ' 82' ' ' LEU . 0.3 OUTLIER -73.17 -33.29 65.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.543 0.687 . . . . 0.0 109.894 178.855 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 83' ' ' LEU . . . . . 1.147 HD23 ' H ' ' B' ' 84' ' ' ALA . 0.0 OUTLIER -50.33 -57.42 7.94 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 114.858 -1.064 . . . . 0.0 112.458 -178.537 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 1.147 ' H ' HD23 ' B' ' 83' ' ' LEU . . . -69.37 -26.46 64.68 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.789 -178.549 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 85' ' ' ALA . . . . . 0.934 ' HB1' ' HB3' ' B' ' 126' ' ' LEU . . . -53.12 -25.36 12.93 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.073 0.463 . . . . 0.0 110.245 179.682 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.36 -44.51 1.71 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.02 178.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 87' ' ' ARG . . . . . 0.806 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 9.5 ttt85 -57.67 -48.44 79.49 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.092 179.045 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 88' ' ' ALA . . . . . 0.724 ' HB3' ' O ' ' B' ' 84' ' ' ALA . . . -57.44 -47.77 80.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.24 -179.485 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 89' ' ' VAL . . . . . 0.502 HG12 ' HB3' ' B' ' 117' ' ' PHE . 31.3 t -62.94 -29.77 47.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.825 179.562 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.18 -25.88 55.63 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.214 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 91' ' ' GLN . . . . . 0.603 ' HG3' ' O ' ' B' ' 87' ' ' ARG . 1.8 mt-30 -72.19 -50.04 30.78 Favored 'General case' 0 CA--C 1.517 -0.326 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 179.387 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 92' ' ' VAL . . . . . 0.857 HG11 ' CD2' ' A' ' 18' ' ' LEU . 2.7 t -68.27 -27.92 38.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.971 178.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 93' ' ' LEU . . . . . 0.721 HD21 ' HA ' ' B' ' 114' ' ' HIS . 3.5 mt -67.91 -39.14 83.61 Favored 'General case' 0 C--O 1.231 0.096 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.166 179.581 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -79.25 -33.16 43.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.017 0.437 . . . . 0.0 110.638 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 95' ' ' SER . . . . . 0.454 ' CB ' HD11 ' A' ' 33' ' ' LEU . 0.5 OUTLIER -79.15 -20.4 48.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.273 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 96' ' ' LEU . . . . . 0.867 HD13 ' HB3' ' B' ' 110' ' ' LEU . 0.1 OUTLIER -38.2 -52.15 1.46 Allowed 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -179.552 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -68.17 -31.06 70.34 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 -179.188 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 98' ' ' GLU . . . . . 0.761 ' O ' ' HB3' ' B' ' 101' ' ' ALA . 0.0 OUTLIER -69.92 -35.75 74.8 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.12 -1.066 . . . . 0.0 108.12 178.111 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 99' ' ' ILE . . . . . 0.506 HG12 ' CD1' ' A' ' 25' ' ' LEU . 34.7 mt -59.25 -47.69 89.51 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.705 0 CA-C-N 114.481 -1.236 . . . . 0.0 109.844 178.519 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 100' ' ' HIS . . . . . 0.863 ' HB2' HD11 ' B' ' 110' ' ' LEU . 0.9 OUTLIER -56.04 -41.18 74.62 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-O 122.025 0.917 . . . . 0.0 108.594 178.01 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 101' ' ' ALA . . . . . 0.761 ' HB3' ' O ' ' B' ' 98' ' ' GLU . . . -51.04 -41.79 60.09 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 113.966 -1.47 . . . . 0.0 111.826 179.368 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 102' ' ' LEU . . . . . 0.65 HD13 HD23 ' A' ' 25' ' ' LEU . 0.4 OUTLIER -122.91 35.71 4.82 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 -177.436 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 103' ' ' THR . . . . . 0.628 HG23 HD12 ' B' ' 102' ' ' LEU . 43.7 p -153.5 -35.45 0.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.762 179.395 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 24.4 t0 74.01 27.35 1.62 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.066 0.46 . . . . 0.0 110.333 -179.318 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 105' ' ' SER . . . . . 0.413 ' O ' ' CB ' ' B' ' 106' ' ' SER . 4.0 m -60.27 -16.02 30.25 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.471 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 106' ' ' SER . . . . . 0.413 ' CB ' ' O ' ' B' ' 105' ' ' SER . 0.7 OUTLIER 80.03 127.74 0.05 OUTLIER 'General case' 0 C--O 1.232 0.167 0 CA-C-O 120.871 0.367 . . . . 0.0 110.691 -179.786 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 107' ' ' GLU . . . . . 0.756 ' HA ' HD12 ' B' ' 110' ' ' LEU . 0.3 OUTLIER -56.34 -22.53 31.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.262 -179.746 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.95 -55.23 35.43 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.016 0.436 . . . . 0.0 110.171 179.587 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 109' ' ' ASP . . . . . 0.608 ' O ' HD12 ' B' ' 113' ' ' LEU . 28.9 m-20 -63.39 -39.81 95.51 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.644 178.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 110' ' ' LEU . . . . . 0.867 ' HB3' HD13 ' B' ' 96' ' ' LEU . 59.6 mt -60.52 -41.05 93.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.272 179.233 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 111' ' ' ASP . . . . . 0.49 ' HA ' ' HD2' ' B' ' 114' ' ' HIS . 16.2 t70 -61.24 -44.98 96.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.914 -179.555 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 112' ' ' PHE . . . . . 0.688 ' O ' HG23 ' B' ' 116' ' ' VAL . 5.6 t80 -58.69 -39.86 81.94 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.628 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 113' ' ' LEU . . . . . 0.714 HD11 ' CD1' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -75.35 -27.97 59.41 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.055 -179.737 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 114' ' ' HIS . . . . . 0.721 ' HA ' HD21 ' B' ' 93' ' ' LEU . 0.0 OUTLIER -64.41 -35.84 82.2 Favored 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 178.386 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 3.4 m -75.7 -36.91 59.89 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 178.627 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 116' ' ' VAL . . . . . 0.943 HG11 ' CB ' ' A' ' 14' ' ' ALA . 54.5 t -63.76 -23.48 33.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.83 178.46 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 117' ' ' PHE . . . . . 0.599 ' CZ ' HD11 ' A' ' 18' ' ' LEU . 20.9 m-85 -101.11 -31.95 10.81 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.365 -179.744 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 118' ' ' GLN . . . . . 0.5 ' NE2' ' ND1' ' B' ' 114' ' ' HIS . 0.0 OUTLIER -67.65 -28.13 67.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.456 -179.329 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -44.02 114.94 0.74 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.697 -179.436 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.85 -44.99 95.72 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.54 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 30.9 m80 -56.46 -34.36 66.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.479 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 122' ' ' LEU . . . . . 0.872 HD12 HD12 ' B' ' 125' ' ' LEU . 37.5 tp -56.1 -48.47 76.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.304 179.658 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 123' ' ' HIS . . . . . 0.988 ' HA ' HD12 ' B' ' 126' ' ' LEU . 50.6 m170 -53.6 -27.26 25.73 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.88 178.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 124' ' ' THR . . . . . 0.648 HG21 HG23 ' A' ' 61' ' ' VAL . 1.7 m -73.84 -37.22 64.88 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.335 178.675 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 125' ' ' LEU . . . . . 0.872 HD12 HD12 ' B' ' 122' ' ' LEU . 3.1 mt -73.01 -32.4 65.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.586 178.627 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 126' ' ' LEU . . . . . 0.988 HD12 ' HA ' ' B' ' 123' ' ' HIS . 5.1 mt -72.99 -46.53 51.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.143 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.74 -49.97 64.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.085 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 128' ' ' LEU . . . . . 0.894 HD21 ' CD2' ' C' ' 59' ' ' TYR . 32.8 mt -60.87 -37.9 83.73 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.564 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 129' ' ' TYR . . . . . 0.737 ' CE2' HG23 ' A' ' 43' ' ' ILE . 0.5 OUTLIER -59.51 -50.9 72.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.079 -179.673 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 130' ' ' ASP . . . . . 0.857 ' OD2' ' HB2' ' B' ' 85' ' ' ALA . 27.7 m-20 -75.36 -17.23 60.28 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.687 -179.433 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.22 -52.08 11.77 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.722 0.296 . . . . 0.0 110.8 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 132' ' ' ILE . . . . . 0.693 HD12 ' O ' ' B' ' 128' ' ' LEU . 2.5 mt -71.16 -35.52 58.78 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 CA-C-O 120.925 0.393 . . . . 0.0 110.546 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 133' ' ' ASN . . . . . 0.469 ' HB2' HD23 ' A' ' 48' ' ' LEU . 62.3 t30 -60.84 -25.1 66.38 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.977 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 54.5 m -84.43 -26.32 28.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.698 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 135' ' ' LYS . . . . . 0.47 ' HG2' ' HB2' ' C' ' 51' ' ' ALA . 0.0 OUTLIER -92.31 -30.71 15.69 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.501 179.932 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 19.3 m . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.101 -179.826 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.232 0 CA-C-O 120.527 0.203 . . . . 0.0 110.48 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 8' ' ' LYS . . . . . 0.443 ' HG2' HG21 ' C' ' 53' ' ' ILE . 17.1 mttt -66.65 -36.9 83.66 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 121.24 0.543 . . . . 0.0 109.589 178.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -78.13 -28.32 48.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.905 178.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -80.82 -30.71 35.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.198 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 3.1 p -73.08 -42.25 63.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.19 179.534 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 12' ' ' GLN . . . . . 0.459 ' HA ' HD23 ' C' ' 15' ' ' LEU . 0.3 OUTLIER -68.22 -43.39 78.07 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.063 179.265 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 2.9 ttp180 -67.33 -25.58 66.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.987 179.009 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 14' ' ' ALA . . . . . 0.78 ' CB ' HG11 ' D' ' 116' ' ' VAL . . . -78.49 -55.24 5.37 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 121.234 0.54 . . . . 0.0 109.685 178.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 15' ' ' LEU . . . . . 0.761 HD22 ' HB3' ' C' ' 44' ' ' PHE . 0.3 OUTLIER -63.06 -29.14 70.58 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.701 179.152 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 16' ' ' HIS . . . . . . . . . . . . . 31.6 t60 -71.13 -46.49 61.5 Favored 'General case' 0 CA--C 1.518 -0.267 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 178.6 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 17' ' ' LEU . . . . . 0.71 ' CD1' HD11 ' D' ' 113' ' ' LEU . 1.9 mt -60.64 -36.32 78.36 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.187 178.386 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 18' ' ' LEU . . . . . 0.934 ' CD2' HG11 ' D' ' 92' ' ' VAL . 39.0 mt -59.01 -45.54 90.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 114.98 -1.009 . . . . 0.0 110.428 179.44 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 19' ' ' GLU . . . . . 0.407 ' O ' ' HG2' ' C' ' 22' ' ' ARG . 2.6 mt-10 -59.4 -42.66 92.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.18 0.514 . . . . 0.0 110.694 179.681 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.1 -36.36 72.17 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.051 179.53 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 21' ' ' TYR . . . . . 0.613 ' CZ ' HD22 ' C' ' 17' ' ' LEU . 11.4 m-30 -66.28 -46.12 78.11 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.815 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 22' ' ' ARG . . . . . 0.523 ' HA ' HD12 ' C' ' 37' ' ' ILE . 0.2 OUTLIER -60.41 -38.65 84.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.913 0.387 . . . . 0.0 110.487 179.551 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 24.4 p -58.44 -48.18 81.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.037 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 24' ' ' LYS . . . . . 0.454 ' HG2' ' H ' ' C' ' 24' ' ' LYS . 2.8 ptpt -80.3 -32.1 38.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.006 0.431 . . . . 0.0 111.382 -179.767 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 25' ' ' LEU . . . . . 0.795 HD12 HD11 ' C' ' 37' ' ' ILE . 0.5 OUTLIER -61.07 -74.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.396 -179.223 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 26' ' ' SER . . . . . 0.492 ' HB2' ' HB2' ' C' ' 34' ' ' ARG . 30.2 t -62.21 -147.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.789 -179.42 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 27' ' ' GLN . . . . . 0.408 ' OE1' ' NH1' ' C' ' 31' ' ' ARG . 0.0 OUTLIER 47.96 27.41 1.17 Allowed 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 120.982 0.42 . . . . 0.0 110.311 -179.467 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 28' ' ' THR . . . . . 0.455 ' CG2' ' N ' ' C' ' 29' ' ' GLU . 2.2 t -153.33 -49.54 0.1 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.766 -179.755 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 29' ' ' GLU . . . . . 0.455 ' N ' ' CG2' ' C' ' 28' ' ' THR . 8.9 pt-20 -177.15 26.73 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.828 -0.623 . . . . 0.0 111.693 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 30' ' ' ASP . . . . . 0.536 ' CB ' HD22 ' C' ' 25' ' ' LEU . 0.9 OUTLIER -143.9 59.65 1.37 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.163 0.506 . . . . 0.0 111.076 -179.773 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 31' ' ' ARG . . . . . 0.408 ' NH1' ' OE1' ' C' ' 27' ' ' GLN . 16.0 mmm180 -67.29 -53.06 33.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.382 179.551 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.81 -51.54 69.57 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.774 179.037 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 33' ' ' LEU . . . . . 0.48 HD11 ' CB ' ' D' ' 95' ' ' SER . 11.9 tp -51.49 -34.35 35.37 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.026 178.821 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 34' ' ' ARG . . . . . 0.492 ' HB2' ' HB2' ' C' ' 26' ' ' SER . 7.6 ttp180 -60.6 -48.39 81.98 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.362 178.717 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 35' ' ' SER . . . . . 0.402 ' O ' ' HG2' ' C' ' 39' ' ' ARG . 5.9 m -55.01 -33.57 62.72 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.379 179.296 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 36' ' ' SER . . . . . 0.506 ' O ' ' HG2' ' C' ' 39' ' ' ARG . 4.3 m -65.75 -50.39 64.94 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-O 121.027 0.441 . . . . 0.0 110.579 179.512 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 37' ' ' ILE . . . . . 0.795 HD11 HD12 ' C' ' 25' ' ' LEU . 33.9 mt -59.96 -38.2 75.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.202 0.525 . . . . 0.0 109.728 178.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 38' ' ' GLU . . . . . 0.406 ' HA ' HG12 ' C' ' 41' ' ' ILE . 17.4 mt-10 -63.14 -52.01 64.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.939 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 39' ' ' ARG . . . . . 0.605 ' HG3' ' HB1' ' D' ' 88' ' ' ALA . 3.3 ptp180 -55.09 -40.07 70.02 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.232 -179.639 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 40' ' ' VAL . . . . . 0.516 HG12 ' CD1' ' C' ' 44' ' ' PHE . 93.9 t -61.26 -39.91 84.23 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 178.044 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 41' ' ' ILE . . . . . 0.706 HD11 ' HB3' ' C' ' 18' ' ' LEU . 14.0 mm -54.62 -59.05 2.53 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.286 179.526 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 17.1 t -58.98 -46.7 87.46 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.947 0.403 . . . . 0.0 110.739 -179.52 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 43' ' ' ILE . . . . . 0.627 HD11 ' HB3' ' D' ' 84' ' ' ALA . 13.1 mt -60.06 -34.46 56.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.148 179.36 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 44' ' ' PHE . . . . . 0.761 ' HB3' HD22 ' C' ' 15' ' ' LEU . 1.3 m-85 -72.26 -57.39 4.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.418 179.706 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 45' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -77.62 -2.64 36.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.578 -179.201 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 46' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -46.91 137.39 7.36 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-O 120.947 0.403 . . . . 0.0 111.307 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -59.51 -34.13 72.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.045 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 48' ' ' LEU . . . . . 0.818 HD21 ' HB ' ' D' ' 132' ' ' ILE . 0.6 OUTLIER -79.45 -47.99 14.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.683 179.927 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 49' ' ' PHE . . . . . 0.652 ' CE1' HD23 ' D' ' 126' ' ' LEU . 54.7 t80 -51.53 -55.93 16.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.276 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 49.9 mm-40 -57.01 -37.2 71.35 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.95 0.405 . . . . 0.0 110.712 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 51' ' ' ALA . . . . . 0.47 ' HB2' ' HG2' ' B' ' 135' ' ' LYS . . . -58.48 -42.3 87.19 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.424 179.524 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 52' ' ' LEU . . . . . 0.445 ' CD2' HD13 ' D' ' 128' ' ' LEU . 1.8 mt -63.03 -44.18 96.64 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 121.21 0.528 . . . . 0.0 110.073 179.14 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 53' ' ' ILE . . . . . 0.774 HG12 HD13 ' D' ' 125' ' ' LEU . 20.7 mt -54.77 -34.84 31.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.446 179.317 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -70.37 -40.45 73.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.256 179.099 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 55' ' ' ILE . . . . . 0.812 HG22 ' HB2' ' C' ' 59' ' ' TYR . 79.0 mt -57.58 -41.0 78.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.726 179.446 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 56' ' ' GLN . . . . . 0.687 ' NE2' HD21 ' D' ' 125' ' ' LEU . 1.5 tt0 -52.41 -23.86 6.76 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.691 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 57' ' ' GLU . . . . . 0.407 ' O ' ' CD2' ' C' ' 58' ' ' PHE . 77.2 mt-10 -47.84 -30.98 4.5 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.278 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 58' ' ' PHE . . . . . 0.432 ' HB3' ' H ' ' A' ' 66' ' ' ASN . 63.6 m-85 -158.11 32.6 0.25 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.531 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 59' ' ' TYR . . . . . 0.894 ' CD2' HD21 ' B' ' 128' ' ' LEU . 39.8 m-85 -140.93 89.02 2.22 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.598 179.619 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -73.39 94.15 2.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.683 0.278 . . . . 0.0 110.951 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 61' ' ' VAL . . . . . 0.53 HG23 HG21 ' D' ' 124' ' ' THR . 0.0 OUTLIER -72.89 98.91 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-O 120.921 0.391 . . . . 0.0 110.877 179.811 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 62' ' ' THR . . . . . 0.422 ' O ' HD23 ' C' ' 64' ' ' LEU . 1.7 m -84.6 106.76 16.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.723 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 63' ' ' LEU . . . . . 0.461 HD11 ' OH ' ' A' ' 59' ' ' TYR . 0.2 OUTLIER -81.45 128.43 33.87 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.582 179.733 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 64' ' ' LEU . . . . . 0.707 ' N ' HD23 ' C' ' 64' ' ' LEU . 0.1 OUTLIER -110.28 -20.13 12.75 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.084 -179.795 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 65' ' ' ASP . . . . . 0.41 ' OD1' ' CE1' ' A' ' 58' ' ' PHE . 0.4 OUTLIER -86.34 4.99 36.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.903 179.51 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 66' ' ' ASN . . . . . . . . . . . . . 7.8 p30 . . . . . 0 C--N 1.334 -0.106 0 CA-C-O 120.821 0.344 . . . . 0.0 111.252 -179.92 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.205 0 N-CA-C 111.272 -0.731 . . . . 0.0 111.272 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 82' ' ' LEU . . . . . 0.624 ' HA ' ' CG ' ' D' ' 130' ' ' ASP . 5.5 tt -99.13 -24.79 14.75 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.307 -0.446 . . . . 0.0 111.104 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 83' ' ' LEU . . . . . 0.871 HD23 ' H ' ' D' ' 84' ' ' ALA . 0.0 OUTLIER -67.92 -54.89 15.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.111 0.482 . . . . 0.0 110.811 -179.845 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 84' ' ' ALA . . . . . 0.871 ' H ' HD23 ' D' ' 83' ' ' LEU . . . -68.94 -23.67 64.18 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.276 -0.875 . . . . 0.0 112.008 -178.586 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 85' ' ' ALA . . . . . 0.804 ' HB1' ' HB3' ' D' ' 126' ' ' LEU . . . -52.74 -22.63 5.47 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.163 179.319 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 86' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -129.24 -44.94 1.25 Allowed 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.914 178.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 87' ' ' ARG . . . . . 0.682 ' HB3' ' O ' ' D' ' 83' ' ' LEU . 11.5 ttt85 -58.01 -43.24 86.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.41 179.193 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 88' ' ' ALA . . . . . 0.747 ' HB2' ' HB1' ' D' ' 84' ' ' ALA . . . -59.41 -49.6 77.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.444 -179.526 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 89' ' ' VAL . . . . . 0.803 HG13 ' CD1' ' D' ' 117' ' ' PHE . 44.3 t -63.87 -52.39 57.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.049 -179.698 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 3.5 t -54.76 -27.22 39.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.142 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 91' ' ' GLN . . . . . 0.494 ' NE2' ' HG2' ' D' ' 87' ' ' ARG . 26.2 mt-30 -70.4 -56.97 5.38 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-O 121.247 0.546 . . . . 0.0 110.059 179.75 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 92' ' ' VAL . . . . . 0.934 HG11 ' CD2' ' C' ' 18' ' ' LEU . 4.2 t -66.03 -28.11 42.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.307 179.533 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 93' ' ' LEU . . . . . 0.782 HD21 ' HA ' ' D' ' 114' ' ' HIS . 1.3 mt -69.6 -34.84 74.67 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.404 179.735 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -84.75 -37.84 20.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.923 0.392 . . . . 0.0 111.037 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 95' ' ' SER . . . . . 0.48 ' CB ' HD11 ' C' ' 33' ' ' LEU . 0.6 OUTLIER -79.96 -20.8 44.71 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.991 -179.593 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 96' ' ' LEU . . . . . 0.846 HD13 ' HB3' ' D' ' 110' ' ' LEU . 0.1 OUTLIER -36.53 -52.31 0.86 Allowed 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 -179.224 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -67.39 -31.17 71.21 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.947 0.403 . . . . 0.0 110.921 -179.261 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 98' ' ' GLU . . . . . 0.799 ' O ' ' HB3' ' D' ' 101' ' ' ALA . 0.0 OUTLIER -68.31 -35.19 77.44 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 177.443 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 99' ' ' ILE . . . . . 0.616 ' HB ' ' O ' ' D' ' 96' ' ' LEU . 6.0 mt -58.36 -49.45 81.96 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.711 0 CA-C-N 114.292 -1.322 . . . . 0.0 110.231 178.544 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 100' ' ' HIS . . . . . 0.744 ' HB2' HD11 ' D' ' 110' ' ' LEU . 1.0 OUTLIER -56.21 -39.41 72.42 Favored 'General case' 0 CA--C 1.515 -0.393 0 CA-C-O 121.977 0.894 . . . . 0.0 108.704 178.456 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 101' ' ' ALA . . . . . 0.799 ' HB3' ' O ' ' D' ' 98' ' ' GLU . . . -52.19 -43.48 64.19 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.001 -1.454 . . . . 0.0 112.077 179.589 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 102' ' ' LEU . . . . . 0.654 HD12 HG23 ' D' ' 103' ' ' THR . 0.4 OUTLIER -119.25 31.57 6.54 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -177.4 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 103' ' ' THR . . . . . 0.654 HG23 HD12 ' D' ' 102' ' ' LEU . 34.2 p -149.18 -32.86 0.21 Allowed 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.994 -0.283 . . . . 0.0 111.613 179.6 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 69.09 28.27 5.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.082 0.467 . . . . 0.0 110.101 -179.231 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 105' ' ' SER . . . . . 0.451 ' CB ' ' CE1' ' C' ' 21' ' ' TYR . 2.2 p -51.0 -84.79 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.054 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 106' ' ' SER . . . . . 0.401 ' CB ' ' O ' ' D' ' 105' ' ' SER . 0.5 OUTLIER 164.47 108.08 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.046 179.907 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 107' ' ' GLU . . . . . 0.665 ' HA ' HD12 ' D' ' 110' ' ' LEU . 9.9 pt-20 -47.66 -32.79 6.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.881 0.372 . . . . 0.0 110.658 -179.742 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.01 -45.37 89.28 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 179.183 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 109' ' ' ASP . . . . . 0.699 ' O ' HD12 ' D' ' 113' ' ' LEU . 4.0 m-20 -69.96 -35.51 74.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.641 178.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 110' ' ' LEU . . . . . 0.846 ' HB3' HD13 ' D' ' 96' ' ' LEU . 63.5 mt -65.16 -42.37 93.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.957 179.191 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 111' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -62.62 -41.2 98.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.53 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 112' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -59.03 -44.98 91.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.35 179.498 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 113' ' ' LEU . . . . . 0.71 HD11 ' CD1' ' C' ' 17' ' ' LEU . 0.5 OUTLIER -70.04 -40.22 75.27 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.747 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 114' ' ' HIS . . . . . 0.782 ' HA ' HD21 ' D' ' 93' ' ' LEU . 1.6 t-80 -57.57 -32.89 67.6 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 178.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 115' ' ' SER . . . . . . . . . . . . . 10.3 t -74.81 -38.38 62.08 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 177.59 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 116' ' ' VAL . . . . . 0.834 ' O ' HD22 ' D' ' 122' ' ' LEU . 14.7 t -62.54 -23.76 33.4 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.163 177.643 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 117' ' ' PHE . . . . . 0.803 ' CD1' HG13 ' D' ' 89' ' ' VAL . 25.1 m-85 -97.48 -32.5 11.8 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.186 -0.915 . . . . 0.0 111.403 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 118' ' ' GLN . . . . . 0.401 ' HG2' ' CE1' ' D' ' 114' ' ' HIS . 0.6 OUTLIER -69.07 -29.5 67.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.516 -179.13 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -42.93 114.15 0.57 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.648 -179.389 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 120' ' ' GLN . . . . . . . . . . . . . 3.2 tm0? -59.18 -44.13 92.18 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.628 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 121' ' ' HIS . . . . . . . . . . . . . 57.1 m-70 -55.85 -33.64 64.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.593 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 122' ' ' LEU . . . . . 0.834 HD22 ' O ' ' D' ' 116' ' ' VAL . 39.1 tp -55.52 -46.7 76.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.649 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 123' ' ' HIS . . . . . 0.931 ' HA ' HD12 ' D' ' 126' ' ' LEU . 0.0 OUTLIER -57.26 -25.54 59.36 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 179.191 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 124' ' ' THR . . . . . 0.53 HG21 HG23 ' C' ' 61' ' ' VAL . 2.0 m -73.38 -37.5 65.97 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 178.751 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 125' ' ' LEU . . . . . 0.807 HD12 HD12 ' D' ' 122' ' ' LEU . 6.2 mt -71.99 -33.32 68.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.417 178.404 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 126' ' ' LEU . . . . . 0.931 HD12 ' HA ' ' D' ' 123' ' ' HIS . 7.8 mt -73.44 -50.79 19.86 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.941 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 127' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -60.19 -39.35 86.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.947 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 128' ' ' LEU . . . . . 0.915 HD21 ' CD2' ' A' ' 59' ' ' TYR . 33.7 mt -73.52 -39.39 64.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.569 179.773 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 129' ' ' TYR . . . . . 0.433 ' HA ' ' HG ' ' C' ' 48' ' ' LEU . 4.0 t80 -55.87 -42.07 75.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.271 179.641 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 130' ' ' ASP . . . . . 0.669 ' OD1' ' HB2' ' D' ' 85' ' ' ALA . 0.1 OUTLIER -76.24 -40.13 52.76 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.186 179.731 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 131' ' ' LYS . . . . . . . . . . . . . 4.3 tptt -54.48 -54.2 44.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.394 -179.262 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 132' ' ' ILE . . . . . 0.818 ' HB ' HD21 ' C' ' 48' ' ' LEU . 1.9 mt -74.11 -35.56 41.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.937 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 133' ' ' ASN . . . . . 0.736 ' HB2' HD23 ' C' ' 48' ' ' LEU . 47.5 t30 -67.59 -30.91 70.63 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.985 -179.651 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 134' ' ' THR . . . . . . . . . . . . . 66.2 m -86.27 -30.3 22.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.117 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.69 -38.33 64.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.602 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 136' ' ' SER . . . . . . . . . . . . . 16.2 t . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.888 179.875 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.92 -39.89 94.2 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 179.067 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -78.79 -27.27 44.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.264 179.054 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.702 ' HB3' HG22 ' B' ' 116' ' ' VAL . 0.5 OUTLIER -79.73 -32.23 41.13 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.515 179.843 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.2 p -75.08 -42.28 57.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.355 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.509 ' HA ' HD23 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -70.01 -37.16 75.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.242 179.565 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.4 ttm180 -74.98 -25.22 58.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.063 179.114 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.895 ' CB ' HG11 ' B' ' 116' ' ' VAL . . . -78.46 -51.74 9.56 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.824 178.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.875 HD22 ' HB3' ' A' ' 44' ' ' PHE . 0.4 OUTLIER -64.5 -27.05 68.71 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.719 179.621 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.424 ' HB2' ' O ' ' A' ' 12' ' ' GLN . 17.3 t-160 -72.72 -45.13 60.3 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 178.576 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.914 HD22 ' CE1' ' A' ' 21' ' ' TYR . 3.8 mt -63.01 -33.61 75.8 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.009 178.281 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.856 HD12 ' HA ' ' A' ' 15' ' ' LEU . 37.6 mt -62.41 -47.95 81.87 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.524 179.505 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.449 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 8.6 mt-10 -59.59 -39.48 84.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.818 179.704 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -74.72 -35.4 62.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.968 179.484 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.914 ' CE1' HD22 ' A' ' 17' ' ' LEU . 3.9 m-30 -66.1 -48.56 70.5 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.626 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.57 ' HB3' HD12 ' A' ' 37' ' ' ILE . 0.0 OUTLIER -63.99 -31.48 72.68 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 178.367 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.7 m -58.5 -45.82 87.98 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.421 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.648 ' HE2' ' HA ' ' A' ' 21' ' ' TYR . 0.0 OUTLIER -103.36 -4.18 24.52 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 120.568 -0.453 . . . . 0.0 111.475 -179.806 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.877 HD12 HD11 ' A' ' 37' ' ' ILE . 0.1 OUTLIER -77.21 -59.41 2.79 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.023 0.439 . . . . 0.0 109.92 178.751 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.432 ' HB3' ' HB2' ' A' ' 34' ' ' ARG . 5.0 p -66.28 -158.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.848 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 57.72 32.87 22.51 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-O 120.955 0.407 . . . . 0.0 110.568 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.677 HG23 ' H ' ' A' ' 29' ' ' GLU . 4.1 t -153.08 -59.43 0.14 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.047 -179.6 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.677 ' H ' HG23 ' A' ' 28' ' ' THR . 20.3 pt-20 -173.62 28.28 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.603 -179.47 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.509 ' HB2' HD22 ' A' ' 25' ' ' LEU . 3.9 m-20 -145.84 46.16 1.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.853 0.359 . . . . 0.0 110.914 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.6 -54.83 42.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.283 0.563 . . . . 0.0 110.467 179.77 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -54.08 -46.52 72.06 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.858 178.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.83 HD21 ' HB3' ' B' ' 95' ' ' SER . 8.4 tp -53.66 -36.67 62.35 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.935 178.763 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.432 ' HB2' ' HB3' ' A' ' 26' ' ' SER . 15.5 ttp180 -60.61 -43.5 97.38 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.401 178.822 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.2 t -58.0 -35.58 71.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.303 179.061 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.617 ' O ' HG23 ' A' ' 40' ' ' VAL . 70.8 m -66.04 -51.04 61.82 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.052 0.453 . . . . 0.0 110.255 179.411 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.877 HD11 HD12 ' A' ' 25' ' ' LEU . 30.4 mt -58.33 -41.22 80.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.773 179.075 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.401 ' HA ' HG12 ' A' ' 41' ' ' ILE . 1.1 mt-10 -65.7 -51.55 58.46 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.07 -0.968 . . . . 0.0 112.507 -179.286 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.932 ' NH1' HE22 ' B' ' 91' ' ' GLN . 8.1 ptp180 -55.87 -33.34 64.48 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.478 -0.489 . . . . 0.0 110.092 -179.504 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 36' ' ' SER . 86.4 t -66.19 -44.34 91.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 178.047 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.681 HD11 ' HB3' ' A' ' 18' ' ' LEU . 17.1 mm -50.71 -53.04 14.68 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.263 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.199 179.318 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.1 t -59.49 -47.1 86.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.744 0.307 . . . . 0.0 110.75 -179.556 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.892 HG23 ' CE2' ' B' ' 129' ' ' TYR . 9.9 mt -59.72 -34.0 54.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 121.122 0.487 . . . . 0.0 109.953 179.219 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.875 ' HB3' HD22 ' A' ' 15' ' ' LEU . 2.8 m-85 -72.45 -56.47 5.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.017 179.279 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.506 ' HG3' ' O ' ' A' ' 41' ' ' ILE . 55.2 mt-30 -64.77 -25.92 68.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.515 -179.427 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.482 ' CB ' ' CE1' ' B' ' 129' ' ' TYR . 0.6 OUTLIER -33.86 122.81 0.46 Allowed 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.804 -179.312 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -50.2 -31.63 14.35 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.145 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.794 ' O ' HD12 ' A' ' 48' ' ' LEU . 1.9 tp -79.41 -42.84 24.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.721 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.473 ' CE1' HD23 ' B' ' 126' ' ' LEU . 60.9 t80 -51.12 -55.51 17.4 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.938 0.399 . . . . 0.0 110.744 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 35.3 mm-40 -59.63 -32.89 70.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.231 -0.44 . . . . 0.0 109.957 179.094 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.54 ' HB3' ' O ' ' A' ' 48' ' ' LEU . . . -58.97 -45.94 89.32 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.256 179.383 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.457 HD22 HD12 ' B' ' 128' ' ' LEU . 1.8 mt -61.34 -45.16 95.57 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.197 179.401 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.916 HG12 HD13 ' B' ' 125' ' ' LEU . 9.0 mt -53.42 -37.18 28.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.715 179.475 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.02 -35.64 66.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.493 179.496 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.774 HG22 ' HB2' ' A' ' 59' ' ' TYR . 75.1 mt -62.56 -42.04 94.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.695 179.649 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -52.88 -24.0 8.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.444 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -48.6 -29.49 4.35 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.328 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.442 ' CG ' ' HB2' ' C' ' 65' ' ' ASP . 51.2 m-85 -154.87 25.36 0.44 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.481 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.877 ' CD2' HD21 ' D' ' 128' ' ' LEU . 46.4 m-85 -136.24 83.16 1.99 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.504 179.698 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -70.29 93.99 0.89 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.04 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.531 HG13 ' CG1' ' C' ' 61' ' ' VAL . 0.0 OUTLIER -72.93 96.99 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.888 0.375 . . . . 0.0 110.908 179.837 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.45 ' O ' HD23 ' A' ' 64' ' ' LEU . 3.2 m -81.22 110.54 16.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.492 179.752 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.46 ' O ' ' ND2' ' A' ' 66' ' ' ASN . 0.1 OUTLIER -84.64 127.43 34.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.693 HD23 ' N ' ' A' ' 64' ' ' LEU . 0.1 OUTLIER -110.35 -24.47 10.62 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.857 -179.775 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.435 ' HB2' ' CG ' ' C' ' 58' ' ' PHE . 20.3 t0 -66.86 -13.35 61.53 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.968 179.579 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 63' ' ' LEU . 13.8 p30 . . . . . 0 CA--C 1.529 0.136 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.334 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.727 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.853 HD23 ' N ' ' B' ' 82' ' ' LEU . 0.3 OUTLIER -80.46 -32.48 37.15 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.065 0.46 . . . . 0.0 110.805 179.843 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 83' ' ' LEU . . . . . 1.093 HD23 ' H ' ' B' ' 84' ' ' ALA . 0.2 OUTLIER -60.12 -50.91 71.82 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.302 -178.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 1.093 ' H ' HD23 ' B' ' 83' ' ' LEU . . . -72.59 -23.45 60.95 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.461 -178.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 85' ' ' ALA . . . . . 0.894 ' HB2' ' OD2' ' B' ' 130' ' ' ASP . . . -52.59 -27.15 15.69 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.151 0.501 . . . . 0.0 109.938 179.449 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -125.21 -43.41 1.94 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.034 179.019 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 87' ' ' ARG . . . . . 0.787 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 12.0 ttt85 -57.74 -49.35 76.86 Favored 'General case' 0 CA--C 1.521 -0.144 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.086 179.14 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 88' ' ' ALA . . . . . 0.727 ' HB3' ' O ' ' B' ' 84' ' ' ALA . . . -56.75 -49.36 75.47 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.587 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 89' ' ' VAL . . . . . 0.639 HG13 ' CD1' ' B' ' 117' ' ' PHE . 74.9 t -67.99 -28.89 42.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.018 178.669 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 43.6 t -76.06 -30.19 58.28 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.838 179.558 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 91' ' ' GLN . . . . . 0.932 HE22 ' NH1' ' A' ' 39' ' ' ARG . 91.8 mt-30 -66.27 -52.95 42.44 Favored 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 109.327 -0.619 . . . . 0.0 109.327 179.209 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 92' ' ' VAL . . . . . 0.811 HG11 ' CD2' ' A' ' 18' ' ' LEU . 10.5 t -66.94 -27.73 40.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.127 179.178 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 93' ' ' LEU . . . . . 0.753 HD21 ' HA ' ' B' ' 114' ' ' HIS . 3.1 mt -69.03 -36.87 78.23 Favored 'General case' 0 C--O 1.231 0.081 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.428 179.681 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -82.79 -34.8 26.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.934 0.397 . . . . 0.0 110.847 -179.548 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 95' ' ' SER . . . . . 0.83 ' HB3' HD21 ' A' ' 33' ' ' LEU . 4.7 m -79.34 -16.9 55.56 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.751 -179.76 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 96' ' ' LEU . . . . . 0.884 HD22 ' CD2' ' B' ' 110' ' ' LEU . 0.1 OUTLIER -37.71 -52.4 1.25 Allowed 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -179.337 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -66.65 -29.46 69.49 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.492 -179.047 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 98' ' ' GLU . . . . . 0.77 ' O ' ' HB3' ' B' ' 101' ' ' ALA . 0.0 OUTLIER -72.36 -38.7 68.5 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 178.19 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 99' ' ' ILE . . . . . 0.477 ' O ' HG23 ' B' ' 103' ' ' THR . 23.0 mt -57.94 -47.18 87.13 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.727 0 CA-C-N 114.534 -1.212 . . . . 0.0 109.621 178.289 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 100' ' ' HIS . . . . . 0.508 ' HB2' ' CD1' ' B' ' 110' ' ' LEU . 0.8 OUTLIER -57.39 -39.69 76.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.904 0.859 . . . . 0.0 108.751 178.113 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 101' ' ' ALA . . . . . 0.77 ' HB3' ' O ' ' B' ' 98' ' ' GLU . . . -53.04 -40.77 64.2 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 114.013 -1.449 . . . . 0.0 111.921 179.664 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 102' ' ' LEU . . . . . 0.662 HD21 ' OE2' ' B' ' 98' ' ' GLU . 0.4 OUTLIER -123.33 34.14 5.18 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.135 0.791 . . . . 0.0 113.135 -177.272 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 103' ' ' THR . . . . . 0.638 HG23 HD12 ' B' ' 102' ' ' LEU . 43.2 p -150.18 -35.37 0.16 Allowed 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.552 -0.459 . . . . 0.0 112.024 179.584 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 5.8 t0 75.99 27.43 0.93 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.147 0.499 . . . . 0.0 109.906 -178.586 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 105' ' ' SER . . . . . 0.45 ' HB3' ' CZ ' ' A' ' 21' ' ' TYR . 0.0 OUTLIER -59.62 -18.04 38.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.538 -0.756 . . . . 0.0 111.556 -179.793 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 106' ' ' SER . . . . . 0.404 ' HA ' ' CE1' ' B' ' 100' ' ' HIS . 1.6 p 77.16 125.78 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.484 -179.453 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 107' ' ' GLU . . . . . 0.506 ' HA ' ' HB2' ' B' ' 110' ' ' LEU . 0.3 OUTLIER -56.76 -20.65 23.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.425 -179.611 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 6.3 mmtt -62.53 -55.76 24.39 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.897 0.38 . . . . 0.0 110.454 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 109' ' ' ASP . . . . . 0.629 ' O ' HD12 ' B' ' 113' ' ' LEU . 3.0 m-20 -66.46 -38.94 88.45 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.403 0.62 . . . . 0.0 109.374 178.748 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 110' ' ' LEU . . . . . 0.884 ' CD2' HD22 ' B' ' 96' ' ' LEU . 16.1 mt -61.57 -37.16 82.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.279 179.065 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 111' ' ' ASP . . . . . 0.497 ' HA ' ' HD2' ' B' ' 114' ' ' HIS . 10.5 t70 -66.21 -43.21 87.38 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.548 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 112' ' ' PHE . . . . . 0.532 ' O ' HG23 ' B' ' 116' ' ' VAL . 0.5 OUTLIER -58.95 -38.39 78.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.553 179.654 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 113' ' ' LEU . . . . . 0.733 HD11 ' CD1' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -75.71 -29.57 59.0 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.161 -179.814 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 114' ' ' HIS . . . . . 0.753 ' HA ' HD21 ' B' ' 93' ' ' LEU . 0.0 OUTLIER -64.62 -34.34 78.04 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 178.515 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 48.4 t -77.24 -38.4 51.22 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.147 178.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 116' ' ' VAL . . . . . 0.895 HG11 ' CB ' ' A' ' 14' ' ' ALA . 24.1 t -61.14 -23.97 31.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.807 178.545 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 117' ' ' PHE . . . . . 0.639 ' CD1' HG13 ' B' ' 89' ' ' VAL . 22.8 m-85 -99.82 -37.23 9.15 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.233 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 118' ' ' GLN . . . . . 0.509 ' NE2' ' ND1' ' B' ' 114' ' ' HIS . 0.0 OUTLIER -60.63 -28.28 68.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.271 -179.49 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -46.11 116.83 1.34 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.481 -179.671 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -62.11 -39.43 92.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.731 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 121' ' ' HIS . . . . . 0.428 ' O ' ' HG ' ' B' ' 125' ' ' LEU . 8.4 m-70 -59.58 -35.38 74.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.66 179.718 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 122' ' ' LEU . . . . . 0.832 HD22 ' O ' ' B' ' 116' ' ' VAL . 43.9 tp -56.45 -49.18 75.33 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.491 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 123' ' ' HIS . . . . . 1.011 ' HA ' HD12 ' B' ' 126' ' ' LEU . 45.6 m-70 -53.45 -28.86 32.52 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.037 0.446 . . . . 0.0 110.014 179.128 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 124' ' ' THR . . . . . 0.496 HG22 HD11 ' B' ' 128' ' ' LEU . 1.4 m -72.48 -37.09 68.56 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.806 -0.633 . . . . 0.0 109.339 178.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 125' ' ' LEU . . . . . 0.916 HD13 HG12 ' A' ' 53' ' ' ILE . 3.2 mt -72.14 -33.47 67.79 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.628 178.638 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 126' ' ' LEU . . . . . 1.011 HD12 ' HA ' ' B' ' 123' ' ' HIS . 4.0 mt -72.9 -50.54 23.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.593 -0.731 . . . . 0.0 111.164 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 127' ' ' ASP . . . . . 0.421 ' O ' ' HB2' ' B' ' 131' ' ' LYS . 9.3 m-20 -61.09 -52.77 63.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.363 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 128' ' ' LEU . . . . . 0.901 HD21 ' CD2' ' C' ' 59' ' ' TYR . 28.0 mt -60.43 -40.64 91.84 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.535 -179.492 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 129' ' ' TYR . . . . . 0.892 ' CE2' HG23 ' A' ' 43' ' ' ILE . 0.2 OUTLIER -56.62 -52.67 63.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.882 0.372 . . . . 0.0 111.608 -179.183 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 130' ' ' ASP . . . . . 0.894 ' OD2' ' HB2' ' B' ' 85' ' ' ALA . 0.0 OUTLIER -76.45 -33.25 58.75 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.364 -179.801 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 131' ' ' LYS . . . . . 0.617 ' O ' HG22 ' B' ' 134' ' ' THR . 9.6 tmtm? -59.28 -42.37 91.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.647 0.26 . . . . 0.0 110.77 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 132' ' ' ILE . . . . . 0.52 ' HB ' HD21 ' A' ' 48' ' ' LEU . 5.5 mt -75.21 -38.43 41.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.989 0.423 . . . . 0.0 110.005 179.307 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 133' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -70.12 -25.6 63.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.97 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 134' ' ' THR . . . . . 0.617 HG22 ' O ' ' B' ' 131' ' ' LYS . 1.2 t -82.03 -29.08 32.15 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.96 0.409 . . . . 0.0 110.846 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 135' ' ' LYS . . . . . 0.506 ' HG2' ' HB2' ' C' ' 51' ' ' ALA . 0.0 OUTLIER -69.07 -36.97 78.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.631 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 7' ' ' ARG . . . . . . . . . . . . . 21.6 ttm180 . . . . . 0 N--CA 1.456 -0.151 0 N-CA-C 110.473 -0.195 . . . . 0.0 110.473 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 9.1 mmmt -64.95 -40.01 94.37 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-O 121.196 0.522 . . . . 0.0 109.603 179.046 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 8.2 mm100 -72.99 -30.58 63.91 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.483 178.426 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -78.0 -30.38 50.08 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.598 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 11' ' ' THR . . . . . 0.432 HG22 ' CE2' ' C' ' 44' ' ' PHE . 1.0 OUTLIER -73.72 -38.33 64.84 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.432 179.816 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 12' ' ' GLN . . . . . 0.416 ' O ' ' CG ' ' C' ' 16' ' ' HIS . 0.6 OUTLIER -69.77 -43.26 72.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.193 179.449 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 9.3 ttm180 -68.05 -26.89 66.09 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.089 179.21 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 14' ' ' ALA . . . . . 0.853 ' CB ' HG11 ' D' ' 116' ' ' VAL . . . -78.55 -54.62 5.95 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 178.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 15' ' ' LEU . . . . . 0.732 ' O ' HD12 ' C' ' 41' ' ' ILE . 0.3 OUTLIER -64.11 -28.26 69.65 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.762 179.325 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 16' ' ' HIS . . . . . 0.416 ' CG ' ' O ' ' C' ' 12' ' ' GLN . 20.7 m170 -73.09 -43.5 61.71 Favored 'General case' 0 CA--C 1.519 -0.237 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 178.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 17' ' ' LEU . . . . . 0.844 HD22 ' CZ ' ' C' ' 21' ' ' TYR . 2.4 mt -62.44 -38.13 88.54 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.737 178.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 18' ' ' LEU . . . . . 0.678 ' CB ' HD11 ' C' ' 41' ' ' ILE . 19.5 mt -63.36 -42.85 98.9 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.604 179.654 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 19' ' ' GLU . . . . . 0.417 ' O ' ' CG ' ' C' ' 22' ' ' ARG . 22.5 mt-10 -59.39 -43.04 93.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -71.3 -33.75 69.98 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.991 179.573 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 21' ' ' TYR . . . . . 0.844 ' CZ ' HD22 ' C' ' 17' ' ' LEU . 17.5 m-30 -66.32 -48.56 69.91 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.58 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 22' ' ' ARG . . . . . 0.454 ' HB2' ' CG ' ' C' ' 34' ' ' ARG . 9.0 ptt85 -56.68 -44.24 81.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.765 0.316 . . . . 0.0 110.419 179.318 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 23' ' ' SER . . . . . 0.435 ' O ' ' HG2' ' C' ' 27' ' ' GLN . 0.6 OUTLIER -58.83 -33.62 70.61 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.791 179.594 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 24' ' ' LYS . . . . . . . . . . . . . 9.7 ptmt -109.33 13.75 24.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.658 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 25' ' ' LEU . . . . . 0.842 HD12 HD11 ' C' ' 37' ' ' ILE . 0.1 OUTLIER -109.56 -65.03 1.18 Allowed 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -178.62 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 26' ' ' SER . . . . . 0.591 ' HB2' ' HB2' ' C' ' 34' ' ' ARG . 0.0 OUTLIER -64.36 -21.82 66.75 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -177.927 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 27' ' ' GLN . . . . . 0.435 ' HG2' ' O ' ' C' ' 23' ' ' SER . 0.9 OUTLIER -73.77 55.78 0.54 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.812 0.339 . . . . 0.0 110.916 -179.517 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 28' ' ' THR . . . . . 0.459 HG23 ' HG2' ' C' ' 29' ' ' GLU . 1.4 t -174.75 -51.57 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.796 179.655 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 29' ' ' GLU . . . . . 0.459 ' HG2' HG23 ' C' ' 28' ' ' THR . 8.5 pt-20 -175.65 28.58 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -179.58 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 30' ' ' ASP . . . . . 0.476 ' CB ' HD22 ' C' ' 25' ' ' LEU . 0.4 OUTLIER -142.07 47.25 1.62 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.989 0.423 . . . . 0.0 111.596 -179.789 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 31' ' ' ARG . . . . . 0.44 ' HA ' ' HB2' ' C' ' 26' ' ' SER . 11.6 mmm180 -55.45 -52.06 64.87 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 121.189 0.519 . . . . 0.0 110.692 179.55 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.36 -47.63 72.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.15 179.401 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 33' ' ' LEU . . . . . 0.509 HD21 ' HB3' ' D' ' 95' ' ' SER . 3.2 tp -52.94 -34.55 55.96 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.034 179.21 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 34' ' ' ARG . . . . . 0.591 ' HB2' ' HB2' ' C' ' 26' ' ' SER . 3.7 ttp180 -60.44 -47.83 84.39 Favored 'General case' 0 CA--C 1.513 -0.449 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 178.743 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.1 -34.96 61.56 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.164 -0.925 . . . . 0.0 109.897 179.253 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 36' ' ' SER . . . . . 0.539 ' HB2' HG22 ' D' ' 92' ' ' VAL . 1.1 m -69.59 -51.34 36.13 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.082 178.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 37' ' ' ILE . . . . . 0.842 HD11 HD12 ' C' ' 25' ' ' LEU . 57.7 mt -56.82 -38.57 59.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.876 178.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -61.77 -52.54 63.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.645 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 39' ' ' ARG . . . . . 0.609 ' HG3' ' HB1' ' D' ' 88' ' ' ALA . 7.0 ptp85 -55.87 -34.64 65.67 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.594 -0.443 . . . . 0.0 109.903 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 40' ' ' VAL . . . . . 0.484 HG11 ' CD1' ' C' ' 18' ' ' LEU . 95.8 t -68.39 -45.74 81.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 178.293 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 41' ' ' ILE . . . . . 0.732 HD12 ' O ' ' C' ' 15' ' ' LEU . 8.8 mm -55.17 -52.85 40.72 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.108 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.258 179.415 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 40.8 t -63.46 -48.9 75.77 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.859 0.361 . . . . 0.0 110.695 -179.543 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 43' ' ' ILE . . . . . 0.421 HG13 ' O ' ' C' ' 39' ' ' ARG . 20.6 mt -59.69 -33.16 51.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.126 179.417 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 44' ' ' PHE . . . . . 0.69 ' HB3' HD22 ' C' ' 15' ' ' LEU . 1.3 m-85 -72.74 -57.57 4.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.621 179.513 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 45' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -78.44 -2.21 37.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.798 -178.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 46' ' ' SER . . . . . 0.485 ' CB ' ' CE1' ' D' ' 129' ' ' TYR . 0.6 OUTLIER -49.31 137.68 13.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.869 0.366 . . . . 0.0 111.068 -179.861 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -58.89 -34.06 71.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.051 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 48' ' ' LEU . . . . . 0.795 ' O ' HD12 ' C' ' 48' ' ' LEU . 1.9 tp -79.22 -43.83 23.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.074 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 49' ' ' PHE . . . . . 0.592 ' CE1' HD23 ' D' ' 126' ' ' LEU . 44.5 t80 -51.24 -55.86 15.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.138 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 37.0 mm-40 -56.56 -32.74 65.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.851 0.358 . . . . 0.0 110.427 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 51' ' ' ALA . . . . . 0.519 ' HB3' ' O ' ' C' ' 48' ' ' LEU . . . -59.89 -47.33 86.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.618 179.506 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 52' ' ' LEU . . . . . 0.528 HD13 ' O ' ' D' ' 125' ' ' LEU . 1.5 mt -61.07 -44.41 97.42 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.365 179.531 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 53' ' ' ILE . . . . . 0.828 HG12 HD13 ' D' ' 125' ' ' LEU . 16.4 mt -54.33 -38.6 40.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.594 179.587 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -67.37 -40.38 85.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.321 179.54 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 55' ' ' ILE . . . . . 0.822 HG22 ' HB2' ' C' ' 59' ' ' TYR . 61.8 mt -60.43 -37.89 76.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.642 179.512 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 56' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -53.39 -22.81 8.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.556 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 57' ' ' GLU . . . . . 0.411 ' O ' ' CD2' ' C' ' 58' ' ' PHE . 62.3 mt-10 -46.75 -32.06 3.38 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.64 0.257 . . . . 0.0 111.38 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 58' ' ' PHE . . . . . 0.435 ' CG ' ' HB2' ' A' ' 65' ' ' ASP . 59.8 m-85 -157.77 28.52 0.27 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.35 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 59' ' ' TYR . . . . . 0.901 ' CD2' HD21 ' B' ' 128' ' ' LEU . 52.7 m-85 -135.33 81.04 1.87 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.77 179.646 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.14 90.79 0.89 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.723 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 61' ' ' VAL . . . . . 0.603 HG23 HG21 ' D' ' 124' ' ' THR . 0.0 OUTLIER -72.8 96.87 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.185 -179.882 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 62' ' ' THR . . . . . . . . . . . . . 2.8 m -78.73 118.21 20.59 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.177 179.54 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 63' ' ' LEU . . . . . 0.622 HD13 ' CE1' ' D' ' 123' ' ' HIS . 0.2 OUTLIER -90.12 131.4 35.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.034 -179.761 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 64' ' ' LEU . . . . . 0.757 ' N ' HD23 ' C' ' 64' ' ' LEU . 0.1 OUTLIER -111.85 -28.14 8.18 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.686 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 65' ' ' ASP . . . . . 0.442 ' HB2' ' CG ' ' A' ' 58' ' ' PHE . 0.3 OUTLIER -81.26 -1.73 46.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.134 179.669 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 66' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 . . . . . 0 C--O 1.233 0.187 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.091 -179.866 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.596 0 N-CA-C 109.367 -1.493 . . . . 0.0 109.367 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 82' ' ' LEU . . . . . 0.775 ' N ' HD23 ' D' ' 82' ' ' LEU . 0.5 OUTLIER -68.76 -31.47 70.53 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 177.181 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 83' ' ' LEU . . . . . 1.082 HD23 ' H ' ' D' ' 84' ' ' ALA . 0.1 OUTLIER -59.68 -54.21 49.06 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 114.519 -1.219 . . . . 0.0 111.198 -179.675 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 84' ' ' ALA . . . . . 1.082 ' H ' HD23 ' D' ' 83' ' ' LEU . . . -71.79 -23.29 61.55 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.158 -179.154 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 85' ' ' ALA . . . . . 0.813 ' HB1' ' HB3' ' D' ' 126' ' ' LEU . . . -52.46 -26.42 12.75 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 179.065 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 86' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -126.24 -39.25 2.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.237 178.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 87' ' ' ARG . . . . . 0.741 ' HB3' ' O ' ' D' ' 83' ' ' LEU . 12.9 ttt180 -64.92 -37.74 88.65 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.656 179.56 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 88' ' ' ALA . . . . . 0.787 ' HB2' ' HB1' ' D' ' 84' ' ' ALA . . . -68.54 -45.14 72.97 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.046 -179.615 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 89' ' ' VAL . . . . . 0.77 HG12 ' HB3' ' D' ' 117' ' ' PHE . 25.2 t -76.99 -31.84 19.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.694 179.496 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 90' ' ' SER . . . . . 0.442 ' HA ' ' HB2' ' D' ' 93' ' ' LEU . 45.7 t -76.1 -42.28 47.67 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.067 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 91' ' ' GLN . . . . . 0.438 ' CD ' ' HB3' ' C' ' 36' ' ' SER . 7.8 pt20 -64.68 -49.07 72.39 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 179.62 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 92' ' ' VAL . . . . . 0.685 HG23 ' O ' ' D' ' 88' ' ' ALA . 47.3 t -65.1 -27.87 43.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.265 177.669 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 93' ' ' LEU . . . . . 0.712 HD21 ' HA ' ' D' ' 114' ' ' HIS . 1.5 mt -60.64 -43.04 98.04 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.202 179.35 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -75.19 -31.73 61.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.529 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 95' ' ' SER . . . . . 0.509 ' HB3' HD21 ' C' ' 33' ' ' LEU . 0.8 OUTLIER -79.04 -23.97 43.92 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.41 -179.877 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 96' ' ' LEU . . . . . 0.954 HD22 HD22 ' D' ' 110' ' ' LEU . 0.2 OUTLIER -37.95 -52.61 1.36 Allowed 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 -179.583 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -68.08 -28.96 67.81 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.373 -179.261 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 98' ' ' GLU . . . . . 0.791 ' OE2' HD21 ' D' ' 102' ' ' LEU . 0.1 OUTLIER -70.2 -36.2 74.45 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 177.896 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 99' ' ' ILE . . . . . 0.585 ' O ' HG23 ' D' ' 103' ' ' THR . 26.5 mt -60.04 -48.54 87.5 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.79 0 CA-C-N 114.505 -1.225 . . . . 0.0 110.011 178.567 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 100' ' ' HIS . . . . . 0.731 ' HB2' HD11 ' D' ' 110' ' ' LEU . 0.2 OUTLIER -57.8 -35.84 71.38 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 178.376 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 101' ' ' ALA . . . . . 0.76 ' HB3' ' O ' ' D' ' 98' ' ' GLU . . . -54.52 -43.77 72.18 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.585 -1.189 . . . . 0.0 111.79 179.441 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 102' ' ' LEU . . . . . 0.791 HD21 ' OE2' ' D' ' 98' ' ' GLU . 0.3 OUTLIER -117.7 32.55 6.09 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.672 -0.694 . . . . 0.0 112.553 -177.648 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 103' ' ' THR . . . . . 0.638 HG23 HD12 ' D' ' 102' ' ' LEU . 36.6 p -148.46 -33.2 0.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.894 -0.322 . . . . 0.0 111.803 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 1.5 t0 74.17 25.87 1.73 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.982 0.42 . . . . 0.0 110.531 -179.355 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 105' ' ' SER . . . . . 0.441 ' HB3' ' CZ ' ' C' ' 21' ' ' TYR . 72.7 m -64.18 -13.22 47.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.292 179.768 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 106' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' D' ' 105' ' ' SER . 4.0 t 81.81 123.02 0.04 OUTLIER 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.988 0.423 . . . . 0.0 111.085 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -54.1 -27.03 30.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.91 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.28 -54.97 36.84 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.968 0.414 . . . . 0.0 110.301 179.556 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 109' ' ' ASP . . . . . 0.725 ' O ' HD12 ' D' ' 113' ' ' LEU . 11.0 m-20 -63.13 -38.76 92.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.732 178.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 110' ' ' LEU . . . . . 0.954 HD22 HD22 ' D' ' 96' ' ' LEU . 17.8 mt -60.25 -38.14 82.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.32 179.255 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 111' ' ' ASP . . . . . 0.485 ' HA ' ' HD2' ' D' ' 114' ' ' HIS . 61.4 m-20 -64.99 -45.85 83.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.843 -179.675 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 112' ' ' PHE . . . . . 0.537 ' O ' HG23 ' D' ' 116' ' ' VAL . 3.8 t80 -58.74 -35.26 72.42 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.375 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 113' ' ' LEU . . . . . 0.725 HD12 ' O ' ' D' ' 109' ' ' ASP . 0.5 OUTLIER -78.26 -28.59 47.74 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 114' ' ' HIS . . . . . 0.712 ' HA ' HD21 ' D' ' 93' ' ' LEU . 0.0 OUTLIER -63.76 -35.27 80.04 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 178.282 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 115' ' ' SER . . . . . . . . . . . . . 27.6 t -74.32 -38.77 63.21 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 178.508 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 116' ' ' VAL . . . . . 0.853 HG11 ' CB ' ' C' ' 14' ' ' ALA . 44.0 t -63.45 -23.28 32.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.272 -0.876 . . . . 0.0 109.639 178.272 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 117' ' ' PHE . . . . . 0.77 ' HB3' HG12 ' D' ' 89' ' ' VAL . 12.1 m-30 -103.25 -19.6 14.42 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.45 -179.597 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 118' ' ' GLN . . . . . 0.503 ' NE2' ' ND1' ' D' ' 114' ' ' HIS . 0.0 OUTLIER -79.74 -26.92 40.61 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.66 0.267 . . . . 0.0 111.402 -179.557 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -43.14 118.11 1.23 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.711 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 120' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -63.9 -49.19 73.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.633 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 121' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -55.77 -33.74 64.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.58 179.369 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 122' ' ' LEU . . . . . 0.899 HD12 HD12 ' D' ' 125' ' ' LEU . 31.1 tp -55.55 -46.27 77.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.333 179.692 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 123' ' ' HIS . . . . . 1.021 ' HA ' HD12 ' D' ' 126' ' ' LEU . 0.0 OUTLIER -54.85 -27.1 39.78 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 178.859 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 124' ' ' THR . . . . . 0.603 HG21 HG23 ' C' ' 61' ' ' VAL . 1.9 m -74.1 -36.13 64.23 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.16 178.561 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 125' ' ' LEU . . . . . 0.899 HD12 HD12 ' D' ' 122' ' ' LEU . 5.0 mt -73.15 -33.5 65.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.496 -0.774 . . . . 0.0 109.619 178.688 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 126' ' ' LEU . . . . . 1.021 HD12 ' HA ' ' D' ' 123' ' ' HIS . 3.4 mt -73.39 -47.79 39.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.09 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 127' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -64.73 -47.03 79.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.062 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 128' ' ' LEU . . . . . 0.877 HD21 ' CD2' ' A' ' 59' ' ' TYR . 63.4 mt -65.86 -34.71 78.76 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.021 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 129' ' ' TYR . . . . . 0.485 ' CE1' ' CB ' ' C' ' 46' ' ' SER . 0.2 OUTLIER -62.06 -52.1 65.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.932 0.396 . . . . 0.0 111.06 -179.444 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 130' ' ' ASP . . . . . 0.578 ' HB3' HD23 ' D' ' 82' ' ' LEU . 13.7 m-20 -76.06 -17.58 59.58 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.127 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 131' ' ' LYS . . . . . 0.551 ' HG2' HD13 ' D' ' 82' ' ' LEU . 0.0 OUTLIER -71.9 -51.16 23.57 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.827 0.346 . . . . 0.0 110.668 179.775 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 132' ' ' ILE . . . . . 0.615 HD12 ' O ' ' D' ' 128' ' ' LEU . 3.1 mt -72.36 -36.93 56.63 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 CA-C-O 121.049 0.452 . . . . 0.0 110.576 179.695 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 133' ' ' ASN . . . . . 0.417 ' HB2' HD23 ' C' ' 48' ' ' LEU . 30.5 t30 -60.26 -26.87 66.79 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.772 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 134' ' ' THR . . . . . 0.553 HG22 ' O ' ' D' ' 134' ' ' THR . 86.2 m -87.75 4.82 42.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.287 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 135' ' ' LYS . . . . . 0.42 ' CB ' ' O ' ' D' ' 134' ' ' THR . 3.3 mmtt 81.39 -10.48 1.18 Allowed 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.726 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 136' ' ' SER . . . . . . . . . . . . . 21.4 t . . . . . 0 C--N 1.331 -0.197 0 CA-C-O 120.993 0.425 . . . . 0.0 111.073 179.922 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.759 ' O ' HG23 ' A' ' 11' ' ' THR . 10.4 ttm180 . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.581 0.229 . . . . 0.0 110.427 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.676 ' HG2' HG21 ' A' ' 53' ' ' ILE . 1.7 mttt -65.12 -37.11 86.41 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 121.231 0.538 . . . . 0.0 109.744 179.016 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.4 mm100 -77.98 -27.23 49.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.171 179.038 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.498 ' HB3' HG22 ' B' ' 116' ' ' VAL . 9.2 m-20 -81.49 -32.25 32.55 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.551 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.759 HG23 ' O ' ' A' ' 7' ' ' ARG . 66.5 p -74.29 -38.86 63.26 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.189 179.535 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.471 ' HA ' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -71.76 -42.74 66.84 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.535 179.622 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.3 ttt180 -71.79 -23.94 61.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.96 179.18 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.834 ' CB ' HG11 ' B' ' 116' ' ' VAL . . . -78.64 -53.17 7.45 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.736 179.107 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.842 HD22 ' HB3' ' A' ' 44' ' ' PHE . 0.6 OUTLIER -63.67 -26.29 68.6 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.888 179.591 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.5 m170 -73.34 -47.97 38.07 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 178.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.947 HD22 ' CE1' ' A' ' 21' ' ' TYR . 1.4 mt -60.64 -37.73 82.45 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.595 -0.729 . . . . 0.0 109.449 178.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.938 ' CD2' HG11 ' B' ' 92' ' ' VAL . 18.7 mt -59.17 -46.83 87.36 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.069 -0.969 . . . . 0.0 110.684 179.447 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -57.92 -45.22 86.88 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.031 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -71.67 -34.99 70.18 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.139 0.495 . . . . 0.0 110.081 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.947 ' CE1' HD22 ' A' ' 17' ' ' LEU . 4.9 m-30 -64.61 -47.31 79.07 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.6 179.746 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.459 ' HG3' ' N ' ' A' ' 23' ' ' SER . 19.4 ptt180 -61.24 -41.94 97.75 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.775 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.459 ' N ' ' HG3' ' A' ' 22' ' ' ARG . 38.9 m -60.12 -35.27 74.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.587 179.601 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.5 ptmt -100.78 0.98 39.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.437 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.788 ' CD1' HD11 ' A' ' 37' ' ' ILE . 0.4 OUTLIER -90.64 -67.99 0.82 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.83 0.347 . . . . 0.0 111.128 -179.757 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.562 ' HB2' ' HB2' ' A' ' 34' ' ' ARG . 33.8 t -62.98 -151.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.663 -179.535 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 57.51 24.07 9.88 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-O 121.157 0.503 . . . . 0.0 110.002 -179.343 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.606 HG23 ' N ' ' A' ' 29' ' ' GLU . 6.6 t -149.52 -55.17 0.18 Allowed 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.814 -179.178 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.606 ' N ' HG23 ' A' ' 28' ' ' THR . 13.4 pt-20 -175.56 27.84 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.655 -179.441 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.512 ' HB2' HD22 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -143.2 59.12 1.41 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.91 0.386 . . . . 0.0 110.944 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.7 mmm180 -68.45 -53.04 26.12 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.102 0.477 . . . . 0.0 109.831 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -60.67 -46.1 91.64 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.56 178.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.628 HD21 ' HB3' ' B' ' 95' ' ' SER . 9.1 tp -51.66 -38.77 56.41 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.058 178.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.848 ' HA ' HD12 ' A' ' 37' ' ' ILE . 5.2 ttp180 -60.56 -45.2 94.81 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.284 178.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.515 ' HA ' ' HG2' ' A' ' 38' ' ' GLU . 13.6 m -55.86 -33.17 64.31 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.006 179.56 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.65 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.7 OUTLIER -71.8 -41.82 67.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.163 0.506 . . . . 0.0 110.572 179.752 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.848 HD12 ' HA ' ' A' ' 34' ' ' ARG . 9.6 mt -62.15 -46.94 95.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.545 179.24 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.53 ' HA ' HG12 ' A' ' 41' ' ' ILE . 7.9 pt-20 -63.46 -43.22 98.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.176 -179.16 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.577 ' HG3' ' HB1' ' B' ' 88' ' ' ALA . 6.6 ptp85 -57.8 -40.21 79.37 Favored 'General case' 0 CA--C 1.52 -0.202 0 C-N-CA 120.203 -0.599 . . . . 0.0 109.589 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.717 HG12 ' CD2' ' A' ' 44' ' ' PHE . 39.7 t -63.66 -34.48 68.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 178.1 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.82 HD11 ' HB3' ' A' ' 18' ' ' LEU . 27.5 mm -60.83 -63.12 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.355 179.32 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.2 p -54.38 -46.35 73.03 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-O 121.057 0.455 . . . . 0.0 110.484 -179.32 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.505 HG23 ' CD2' ' B' ' 129' ' ' TYR . 8.0 mt -59.78 -33.81 53.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.883 178.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.842 ' HB3' HD22 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -72.13 -59.62 2.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.843 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.432 ' HG2' ' O ' ' A' ' 41' ' ' ILE . 19.9 pt20 -76.25 -2.69 32.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.811 -178.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.401 ' HG ' ' HE1' ' B' ' 129' ' ' TYR . 0.3 OUTLIER -48.47 135.3 14.35 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.868 0.366 . . . . 0.0 111.023 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -53.79 -36.47 62.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.399 -179.584 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.752 ' O ' HD12 ' A' ' 48' ' ' LEU . 3.3 tp -79.24 -42.8 25.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.231 -179.614 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.404 ' CE2' HD11 ' A' ' 53' ' ' ILE . 53.0 t80 -50.97 -55.99 14.63 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.661 0.267 . . . . 0.0 111.218 -179.457 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -57.89 -39.03 76.9 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.875 0.369 . . . . 0.0 110.479 179.645 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.63 -40.23 82.76 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.19 179.452 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.552 ' HA ' HD12 ' A' ' 55' ' ' ILE . 1.1 mt -64.24 -44.74 90.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.85 178.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.676 HG21 ' HG2' ' A' ' 8' ' ' LYS . 47.5 mt -54.87 -33.44 28.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.247 179.231 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -71.25 -39.48 71.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.97 179.005 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.643 HG22 ' HB2' ' A' ' 59' ' ' TYR . 91.8 mt -59.45 -47.58 90.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.502 179.442 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.3 tm0? -54.83 -22.99 16.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.376 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -49.71 -39.31 36.54 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.127 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.458 ' CD1' ' HB2' ' C' ' 65' ' ' ASP . 26.9 m-85 -141.99 15.2 2.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.636 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.922 ' CD2' HD21 ' D' ' 128' ' ' LEU . 9.2 m-85 -134.35 75.57 1.59 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.598 179.639 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.415 ' HB2' ' HB ' ' C' ' 62' ' ' THR . 60.0 mt-10 -60.03 106.31 0.49 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.751 0.31 . . . . 0.0 110.595 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.408 HG22 ' H ' ' A' ' 61' ' ' VAL . 0.0 OUTLIER -72.51 97.12 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.948 0.404 . . . . 0.0 110.971 -179.801 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.496 ' HB ' ' HB2' ' C' ' 60' ' ' GLU . 8.7 m -79.63 112.06 16.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.582 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.524 HD11 ' CZ ' ' C' ' 59' ' ' TYR . 0.1 OUTLIER -89.33 126.05 35.37 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.716 179.888 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.769 HD23 ' N ' ' A' ' 64' ' ' LEU . 0.1 OUTLIER -104.8 -26.78 12.11 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.502 -179.871 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.495 ' HB2' ' CG ' ' C' ' 58' ' ' PHE . 37.5 t70 -86.06 2.03 48.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.988 179.431 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.333 -0.127 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.397 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.596 0 N-CA-C 111.408 -0.677 . . . . 0.0 111.408 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.888 HD23 ' N ' ' B' ' 82' ' ' LEU . 0.3 OUTLIER -80.3 -25.96 39.1 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.982 0.42 . . . . 0.0 110.482 179.547 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 83' ' ' LEU . . . . . 1.042 HD23 ' H ' ' B' ' 84' ' ' ALA . 0.3 OUTLIER -59.81 -46.05 90.43 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.692 -179.619 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 1.042 ' H ' HD23 ' B' ' 83' ' ' LEU . . . -80.14 -5.75 56.53 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.247 -179.446 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 85' ' ' ALA . . . . . 0.789 ' HB1' ' HB2' ' B' ' 126' ' ' LEU . . . -74.5 14.87 0.41 Allowed 'General case' 0 N--CA 1.449 -0.482 0 CA-C-O 121.44 0.638 . . . . 0.0 110.017 178.46 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 86' ' ' GLU . . . . . 0.517 ' H ' ' C ' ' B' ' 84' ' ' ALA . 8.3 tt0 -167.71 -39.51 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.016 -0.993 . . . . 0.0 108.418 179.634 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 87' ' ' ARG . . . . . 0.692 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 9.3 ttt-85 -67.77 -41.07 83.85 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.658 178.26 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 88' ' ' ALA . . . . . 0.948 ' HB2' ' HB1' ' B' ' 84' ' ' ALA . . . -67.26 -48.59 67.26 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.571 179.712 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 89' ' ' VAL . . . . . 0.737 HG12 ' HB3' ' B' ' 117' ' ' PHE . 16.0 t -66.27 -43.7 91.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.411 179.408 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 90' ' ' SER . . . . . 0.461 ' HA ' ' HB2' ' B' ' 93' ' ' LEU . 67.6 m -72.28 -21.96 61.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.638 179.199 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 91' ' ' GLN . . . . . 0.475 ' HB3' ' HB3' ' A' ' 36' ' ' SER . 3.5 mt-30 -66.34 -57.16 8.06 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-O 121.384 0.611 . . . . 0.0 109.795 179.454 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 92' ' ' VAL . . . . . 0.938 HG11 ' CD2' ' A' ' 18' ' ' LEU . 5.1 t -66.51 -27.82 41.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.169 179.152 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 93' ' ' LEU . . . . . 0.63 HD21 ' HA ' ' B' ' 114' ' ' HIS . 0.7 OUTLIER -68.21 -30.61 69.72 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.878 179.486 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.9 -42.51 21.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.994 0.426 . . . . 0.0 110.894 -179.646 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 95' ' ' SER . . . . . 0.628 ' HB3' HD21 ' A' ' 33' ' ' LEU . 0.8 OUTLIER -79.75 -13.11 59.68 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.081 -179.557 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 96' ' ' LEU . . . . . 0.849 HD13 ' HB3' ' B' ' 110' ' ' LEU . 0.2 OUTLIER -39.21 -50.79 1.96 Allowed 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -179.248 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -68.0 -31.56 71.35 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.936 0.398 . . . . 0.0 111.102 -179.279 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 98' ' ' GLU . . . . . 0.754 ' O ' ' HB3' ' B' ' 101' ' ' ALA . 0.0 OUTLIER -68.38 -37.41 80.37 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 178.072 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 99' ' ' ILE . . . . . 0.551 HG12 ' CD1' ' A' ' 25' ' ' LEU . 27.8 mt -57.84 -49.37 81.24 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.757 0 CA-C-N 114.146 -1.388 . . . . 0.0 110.337 178.811 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 100' ' ' HIS . . . . . 0.915 ' HB2' HD11 ' B' ' 110' ' ' LEU . 0.7 OUTLIER -56.12 -40.16 73.33 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-O 121.881 0.848 . . . . 0.0 108.766 178.673 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 101' ' ' ALA . . . . . 0.754 ' HB3' ' O ' ' B' ' 98' ' ' GLU . . . -52.04 -41.37 62.23 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.087 -1.415 . . . . 0.0 111.821 179.512 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 102' ' ' LEU . . . . . 0.651 HD13 HD23 ' A' ' 25' ' ' LEU . 0.4 OUTLIER -123.69 35.9 4.75 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 113.087 0.773 . . . . 0.0 113.087 -177.282 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 103' ' ' THR . . . . . 0.644 HG23 HD12 ' B' ' 102' ' ' LEU . 43.6 p -152.17 -31.77 0.15 Allowed 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 179.405 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 73.4 25.49 2.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.102 0.477 . . . . 0.0 110.175 -179.123 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 105' ' ' SER . . . . . 0.451 ' CB ' ' CZ ' ' A' ' 21' ' ' TYR . 0.1 OUTLIER -60.34 -19.24 54.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.322 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 4.5 t 78.06 129.84 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.915 0.388 . . . . 0.0 110.641 -179.555 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 107' ' ' GLU . . . . . 0.793 ' HA ' HD12 ' B' ' 110' ' ' LEU . 1.0 OUTLIER -56.84 -21.55 29.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.142 -179.703 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -61.89 -55.4 30.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.092 0.472 . . . . 0.0 110.21 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 109' ' ' ASP . . . . . 0.69 ' O ' HD12 ' B' ' 113' ' ' LEU . 91.4 m-20 -63.8 -35.25 79.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.994 179.068 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 110' ' ' LEU . . . . . 0.915 HD11 ' HB2' ' B' ' 100' ' ' HIS . 42.2 mt -65.53 -41.61 92.92 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.414 179.247 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -59.95 -43.39 95.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.575 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 112' ' ' PHE . . . . . 0.853 ' O ' HG23 ' B' ' 116' ' ' VAL . 1.2 t80 -60.51 -47.25 86.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.409 179.646 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 113' ' ' LEU . . . . . 0.708 HD11 ' CD1' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -71.11 -29.91 65.85 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.177 179.368 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 114' ' ' HIS . . . . . 0.651 ' O ' ' HG2' ' B' ' 118' ' ' GLN . 70.7 t60 -58.49 -45.29 89.0 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 178.801 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 115' ' ' SER . . . . . 0.507 ' HA ' ' HG2' ' B' ' 118' ' ' GLN . 45.0 m -74.2 -35.0 63.91 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.746 178.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 116' ' ' VAL . . . . . 0.853 HG23 ' O ' ' B' ' 112' ' ' PHE . 53.4 t -56.79 -24.98 20.84 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.328 178.234 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 117' ' ' PHE . . . . . 0.737 ' HB3' HG12 ' B' ' 89' ' ' VAL . 11.2 m-30 -106.07 -13.82 15.35 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.91 179.681 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 118' ' ' GLN . . . . . 0.651 ' HG2' ' O ' ' B' ' 114' ' ' HIS . 4.2 mm100 -67.59 -44.37 78.31 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.969 0.414 . . . . 0.0 110.666 179.234 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -38.93 131.78 1.34 Allowed 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.345 -178.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -76.26 -44.12 38.71 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.357 179.45 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 15.7 m-70 -56.04 -33.74 65.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.136 179.231 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 122' ' ' LEU . . . . . 0.774 HD22 ' O ' ' B' ' 116' ' ' VAL . 47.1 tp -55.66 -43.92 76.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.73 179.254 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 123' ' ' HIS . . . . . 0.828 ' HA ' HD12 ' B' ' 126' ' ' LEU . 31.8 m170 -56.45 -27.56 57.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.997 178.629 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 124' ' ' THR . . . . . 0.418 HG22 ' CD1' ' B' ' 128' ' ' LEU . 6.5 m -77.38 -31.42 54.25 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.299 179.449 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 125' ' ' LEU . . . . . 0.759 HD12 HD12 ' B' ' 122' ' ' LEU . 18.7 mt -67.82 -40.88 83.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.912 179.733 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 126' ' ' LEU . . . . . 0.828 HD12 ' HA ' ' B' ' 123' ' ' HIS . 0.3 OUTLIER -72.93 -44.35 61.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.139 -179.768 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -59.47 -50.12 75.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.109 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 128' ' ' LEU . . . . . 0.918 HD21 ' CD2' ' C' ' 59' ' ' TYR . 31.9 mt -64.13 -42.69 96.74 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.118 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 129' ' ' TYR . . . . . 0.508 ' O ' HD23 ' A' ' 48' ' ' LEU . 0.4 OUTLIER -55.88 -51.04 68.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.301 -179.312 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 130' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -75.14 -19.42 59.89 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.295 -179.597 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 131' ' ' LYS . . . . . 0.409 ' O ' HG22 ' B' ' 134' ' ' THR . 0.1 OUTLIER -72.73 -51.27 19.9 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.82 0.343 . . . . 0.0 110.615 179.719 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 132' ' ' ILE . . . . . 0.981 HG23 ' HB1' ' C' ' 51' ' ' ALA . 2.4 mt -70.54 -35.48 61.78 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 CA-C-O 121.18 0.514 . . . . 0.0 110.357 179.547 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 133' ' ' ASN . . . . . . . . . . . . . 44.7 t-20 -61.49 -24.96 66.95 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.459 -0.792 . . . . 0.0 111.105 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 134' ' ' THR . . . . . 0.451 ' O ' ' CB ' ' B' ' 135' ' ' LYS . 0.5 OUTLIER -81.27 3.91 22.32 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.207 -179.927 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 135' ' ' LYS . . . . . 0.451 ' CB ' ' O ' ' B' ' 134' ' ' THR . 5.8 mttp 86.69 -20.22 0.24 Allowed 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 122.622 0.369 . . . . 0.0 111.693 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.268 0 CA-C-O 120.788 0.328 . . . . 0.0 110.892 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.234 0 CA-C-O 120.776 0.322 . . . . 0.0 110.286 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -62.33 -35.86 80.39 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-O 121.133 0.492 . . . . 0.0 109.85 179.23 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -76.76 -27.34 55.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.095 179.055 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 10' ' ' ASP . . . . . 0.549 ' HB3' HG22 ' D' ' 116' ' ' VAL . 1.2 m-20 -79.74 -33.19 40.99 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.516 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 11' ' ' THR . . . . . 0.413 HG22 ' HE1' ' C' ' 44' ' ' PHE . 3.1 p -74.05 -40.22 62.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.448 179.629 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 12' ' ' GLN . . . . . 0.611 ' HA ' HD23 ' C' ' 15' ' ' LEU . 0.0 OUTLIER -71.71 -37.82 70.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.307 179.564 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.61 -25.65 59.38 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.052 179.09 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 14' ' ' ALA . . . . . 0.833 ' CB ' HG11 ' D' ' 116' ' ' VAL . . . -78.69 -50.21 11.81 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.755 179.069 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 15' ' ' LEU . . . . . 0.809 ' HA ' HD12 ' C' ' 18' ' ' LEU . 0.4 OUTLIER -64.81 -28.29 69.47 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.782 179.617 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 16' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -73.16 -45.76 54.71 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 178.588 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 17' ' ' LEU . . . . . 0.879 HD22 ' CE1' ' C' ' 21' ' ' TYR . 1.6 mt -62.24 -36.1 80.96 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.193 178.343 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 18' ' ' LEU . . . . . 0.86 ' CD2' HG11 ' D' ' 92' ' ' VAL . 26.9 mt -62.29 -43.76 98.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.755 -1.111 . . . . 0.0 110.833 179.625 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -63.05 -38.57 91.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.811 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -74.1 -35.81 64.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.256 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 21' ' ' TYR . . . . . 0.879 ' CE1' HD22 ' C' ' 17' ' ' LEU . 14.2 m-30 -69.51 -46.32 66.82 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.02 179.501 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 22' ' ' ARG . . . . . 0.571 ' HA ' HD12 ' C' ' 37' ' ' ILE . 1.1 ttt-85 -55.07 -51.05 67.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.825 179.676 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 38.0 m -56.37 -43.67 79.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.776 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 24' ' ' LYS . . . . . 0.426 ' O ' HG22 ' D' ' 103' ' ' THR . 8.6 ptmt -89.49 3.87 50.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.548 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 25' ' ' LEU . . . . . 0.95 HD12 HD11 ' C' ' 37' ' ' ILE . 0.3 OUTLIER -92.35 -68.75 0.78 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.864 0.364 . . . . 0.0 111.301 -179.755 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 26' ' ' SER . . . . . 0.514 ' HB2' ' HB2' ' C' ' 34' ' ' ARG . 30.1 t -62.42 -150.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.907 -179.232 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 27' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 57.51 24.23 10.08 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 121.104 0.478 . . . . 0.0 109.991 -179.276 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 28' ' ' THR . . . . . 0.6 HG23 ' N ' ' C' ' 29' ' ' GLU . 6.5 t -149.73 -56.19 0.18 Allowed 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.892 -179.343 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 29' ' ' GLU . . . . . 0.6 ' N ' HG23 ' C' ' 28' ' ' THR . 13.1 pt-20 -176.67 28.47 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.629 -179.524 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 30' ' ' ASP . . . . . 0.452 ' CB ' HD22 ' C' ' 25' ' ' LEU . 4.9 m-20 -141.53 54.14 1.52 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.029 0.443 . . . . 0.0 111.089 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.51 -52.96 48.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.082 179.56 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 -56.89 -53.03 62.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.848 179.04 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 33' ' ' LEU . . . . . 0.844 HD21 ' HB3' ' D' ' 95' ' ' SER . 10.0 tp -51.03 -33.53 25.69 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.882 178.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 34' ' ' ARG . . . . . 0.514 ' HB2' ' HB2' ' C' ' 26' ' ' SER . 9.1 ttp180 -60.54 -45.98 91.87 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.524 178.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 1.8 m -59.58 -33.05 70.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.42 179.376 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 36' ' ' SER . . . . . 0.401 ' O ' ' CG ' ' C' ' 39' ' ' ARG . 58.8 m -65.78 -51.29 60.25 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.965 0.412 . . . . 0.0 110.799 179.765 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 37' ' ' ILE . . . . . 0.95 HD11 HD12 ' C' ' 25' ' ' LEU . 33.3 mt -57.83 -41.18 79.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.291 0.567 . . . . 0.0 109.892 179.184 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.37 -52.14 66.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 114.943 -1.026 . . . . 0.0 111.962 -179.689 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 39' ' ' ARG . . . . . 0.862 ' NH1' HE22 ' D' ' 91' ' ' GLN . 4.7 ptp180 -55.91 -42.08 75.49 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.403 -179.566 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 40' ' ' VAL . . . . . 0.651 HG12 ' CD2' ' C' ' 44' ' ' PHE . 78.7 t -60.81 -33.13 54.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 178.474 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 41' ' ' ILE . . . . . 0.684 HD11 ' HB3' ' C' ' 18' ' ' LEU . 13.2 mm -61.98 -60.62 2.42 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.142 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 179.411 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 19.7 p -58.0 -45.88 86.12 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.642 -179.46 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 43' ' ' ILE . . . . . 0.907 HG23 ' CE2' ' D' ' 129' ' ' TYR . 12.7 mt -59.62 -33.81 53.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.866 179.244 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 44' ' ' PHE . . . . . 0.729 ' HB3' HD22 ' C' ' 15' ' ' LEU . 0.2 OUTLIER -72.54 -59.13 2.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.581 179.686 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 45' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -73.64 -6.58 47.63 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.103 -178.575 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 46' ' ' SER . . . . . 0.49 ' CB ' ' CE1' ' D' ' 129' ' ' TYR . 0.2 OUTLIER -48.81 135.63 14.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.771 0.32 . . . . 0.0 111.034 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -56.43 -29.47 61.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.299 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 48' ' ' LEU . . . . . 0.788 HD12 ' HB3' ' C' ' 51' ' ' ALA . 3.5 tp -79.4 -40.72 29.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.934 0.397 . . . . 0.0 110.754 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 49' ' ' PHE . . . . . 0.673 ' CE2' HD11 ' C' ' 53' ' ' ILE . 7.2 t80 -53.48 -31.77 47.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.213 0.53 . . . . 0.0 110.5 179.467 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -74.55 -25.64 59.44 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 178.44 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 51' ' ' ALA . . . . . 0.981 ' HB1' HG23 ' B' ' 132' ' ' ILE . . . -66.58 -53.85 29.95 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 115.35 -0.841 . . . . 0.0 112.298 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 52' ' ' LEU . . . . . 0.661 ' H ' HD13 ' C' ' 52' ' ' LEU . 0.0 OUTLIER -72.72 -32.79 65.99 Favored 'General case' 0 N--CA 1.462 0.162 0 C-N-CA 119.593 -0.843 . . . . 0.0 111.103 -179.702 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 53' ' ' ILE . . . . . 0.855 HG12 HD13 ' D' ' 125' ' ' LEU . 56.3 mt -60.71 -37.18 75.21 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.249 178.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -73.03 -42.2 63.4 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.669 179.503 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 55' ' ' ILE . . . . . 0.732 HG22 ' HB2' ' C' ' 59' ' ' TYR . 60.5 mt -57.68 -33.98 46.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.768 179.718 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 56' ' ' GLN . . . . . 0.759 HE22 ' HB3' ' D' ' 121' ' ' HIS . 1.3 mt-30 -53.37 -21.85 6.49 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.723 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 57' ' ' GLU . . . . . 0.407 ' O ' ' CD2' ' C' ' 58' ' ' PHE . 45.5 mt-10 -43.89 -38.01 3.15 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.736 0.303 . . . . 0.0 111.517 -179.69 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 58' ' ' PHE . . . . . 0.495 ' CG ' ' HB2' ' A' ' 65' ' ' ASP . 81.5 m-85 -158.12 35.61 0.25 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.428 -179.792 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 59' ' ' TYR . . . . . 0.918 ' CD2' HD21 ' B' ' 128' ' ' LEU . 23.1 m-85 -137.4 80.18 1.79 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.754 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 60' ' ' GLU . . . . . 0.496 ' HB2' ' HB ' ' A' ' 62' ' ' THR . 37.5 mt-10 -72.33 99.34 2.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.813 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 61' ' ' VAL . . . . . 0.472 ' CG2' HG21 ' D' ' 124' ' ' THR . 0.0 OUTLIER -72.86 96.78 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 CA-C-O 120.906 0.384 . . . . 0.0 110.922 179.881 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 62' ' ' THR . . . . . 0.415 ' HB ' ' HB2' ' A' ' 60' ' ' GLU . 2.7 m -73.63 118.38 16.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.498 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 63' ' ' LEU . . . . . 0.797 HD11 ' CE2' ' A' ' 59' ' ' TYR . 0.1 OUTLIER -89.49 124.62 34.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.0 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 64' ' ' LEU . . . . . 0.744 ' N ' HD23 ' C' ' 64' ' ' LEU . 0.0 OUTLIER -102.76 -27.2 12.84 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.382 179.639 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 65' ' ' ASP . . . . . 0.458 ' HB2' ' CD1' ' A' ' 58' ' ' PHE . 1.4 m-20 -158.2 -87.74 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.896 179.697 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 66' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 . . . . . 0 N--CA 1.463 0.188 0 CA-C-O 120.793 0.33 . . . . 0.0 111.046 179.993 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.414 0 N-CA-C 110.491 -1.043 . . . . 0.0 110.491 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 82' ' ' LEU . . . . . 0.632 HD12 ' C ' ' D' ' 82' ' ' LEU . 3.1 pp -88.59 -8.81 54.07 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 177.851 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 83' ' ' LEU . . . . . 1.069 HD23 ' H ' ' D' ' 84' ' ' ALA . 0.6 OUTLIER -62.21 -44.24 97.01 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.821 179.046 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 84' ' ' ALA . . . . . 1.069 ' H ' HD23 ' D' ' 83' ' ' LEU . . . -71.6 -26.02 62.41 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 114.799 -1.091 . . . . 0.0 110.579 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 85' ' ' ALA . . . . . 0.978 ' HB1' ' CB ' ' D' ' 126' ' ' LEU . . . -52.46 -26.55 13.16 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.175 179.607 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 86' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -123.18 -44.18 2.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.648 178.564 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 87' ' ' ARG . . . . . 0.734 ' HB3' ' O ' ' D' ' 83' ' ' LEU . 27.4 ttt85 -57.91 -54.76 43.23 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.98 178.839 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 88' ' ' ALA . . . . . 0.74 ' HB3' ' O ' ' D' ' 84' ' ' ALA . . . -56.95 -44.29 82.4 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.976 -1.011 . . . . 0.0 111.18 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 89' ' ' VAL . . . . . 0.862 HG13 ' CD1' ' D' ' 117' ' ' PHE . 53.1 t -61.49 -32.18 52.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.716 179.738 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 31.0 t -76.21 -28.35 57.18 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.469 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 91' ' ' GLN . . . . . 0.862 HE22 ' NH1' ' C' ' 39' ' ' ARG . 16.4 mt-30 -71.39 -51.42 24.17 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-O 121.16 0.505 . . . . 0.0 109.805 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 92' ' ' VAL . . . . . 0.86 HG11 ' CD2' ' C' ' 18' ' ' LEU . 3.8 t -67.75 -28.13 40.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.103 179.317 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 93' ' ' LEU . . . . . 0.738 HD21 ' HA ' ' D' ' 114' ' ' HIS . 2.1 mt -66.81 -41.18 87.95 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.187 179.665 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.85 -30.82 28.38 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.977 0.418 . . . . 0.0 110.918 -179.633 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 95' ' ' SER . . . . . 0.844 ' HB3' HD21 ' C' ' 33' ' ' LEU . 15.4 m -80.27 -25.54 39.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.966 -0.561 . . . . 0.0 112.087 -179.361 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 96' ' ' LEU . . . . . 0.889 HD22 HD22 ' D' ' 110' ' ' LEU . 0.2 OUTLIER -38.06 -52.2 1.4 Allowed 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -179.002 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 63.0 mt-10 -69.36 -29.07 66.79 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.912 0.387 . . . . 0.0 111.05 -179.334 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 98' ' ' GLU . . . . . 0.814 ' O ' ' HB3' ' D' ' 101' ' ' ALA . 0.1 OUTLIER -69.35 -34.58 74.81 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 177.769 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 99' ' ' ILE . . . . . 0.679 HG23 HG21 ' D' ' 103' ' ' THR . 38.1 mt -62.34 -50.04 81.51 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.829 0 CA-C-N 114.426 -1.261 . . . . 0.0 110.012 178.555 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 100' ' ' HIS . . . . . 0.896 ' HB2' HD11 ' D' ' 110' ' ' LEU . 0.2 OUTLIER -55.84 -33.66 64.72 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 178.218 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 101' ' ' ALA . . . . . 0.814 ' HB3' ' O ' ' D' ' 98' ' ' GLU . . . -57.57 -45.69 84.88 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 114.39 -1.277 . . . . 0.0 111.97 179.397 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 102' ' ' LEU . . . . . 0.803 HD21 ' OE2' ' D' ' 98' ' ' GLU . 0.4 OUTLIER -117.53 26.5 9.68 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.793 -177.532 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 103' ' ' THR . . . . . 0.694 HG23 HD12 ' D' ' 102' ' ' LEU . 31.4 p -141.1 -31.77 0.58 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.714 0.292 . . . . 0.0 111.512 179.626 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 4.5 t0 67.9 27.46 7.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.908 0.385 . . . . 0.0 110.536 -179.474 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 105' ' ' SER . . . . . 0.423 ' HB3' ' CZ ' ' C' ' 21' ' ' TYR . 11.1 m -53.73 -77.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.79 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 106' ' ' SER . . . . . . . . . . . . . 6.5 t 167.95 104.86 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.417 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -47.38 -31.97 4.5 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.885 0.374 . . . . 0.0 110.601 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 7.7 mmmt -67.26 -47.19 71.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.692 178.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 109' ' ' ASP . . . . . 0.695 ' O ' HD12 ' D' ' 113' ' ' LEU . 47.1 m-20 -63.59 -34.72 78.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.791 179.007 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 110' ' ' LEU . . . . . 0.896 HD11 ' HB2' ' D' ' 100' ' ' HIS . 22.2 mt -62.61 -42.99 99.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.073 179.108 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 111' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -61.3 -41.97 97.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.531 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 112' ' ' PHE . . . . . 0.499 ' O ' HG23 ' D' ' 116' ' ' VAL . 0.7 OUTLIER -58.61 -44.25 89.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.165 179.683 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 113' ' ' LEU . . . . . 0.695 HD12 ' O ' ' D' ' 109' ' ' ASP . 0.5 OUTLIER -70.22 -34.05 72.42 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.651 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 114' ' ' HIS . . . . . 0.797 ' CD2' HD12 ' D' ' 96' ' ' LEU . 37.4 m170 -58.18 -35.03 70.99 Favored 'General case' 0 CA--C 1.517 -0.293 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 178.267 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 115' ' ' SER . . . . . 0.43 ' HA ' ' HB2' ' D' ' 118' ' ' GLN . 1.3 t -73.94 -38.15 64.35 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 108.887 -0.782 . . . . 0.0 108.887 178.579 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 116' ' ' VAL . . . . . 0.851 ' O ' HD22 ' D' ' 122' ' ' LEU . 54.9 t -59.16 -23.58 25.04 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.147 178.555 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 117' ' ' PHE . . . . . 0.862 ' CD1' HG13 ' D' ' 89' ' ' VAL . 44.3 m-85 -105.62 -30.96 9.16 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.436 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 118' ' ' GLN . . . . . 0.672 HE22 ' HB3' ' D' ' 114' ' ' HIS . 0.0 OUTLIER -60.98 -33.71 73.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.457 -179.207 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -45.44 118.8 1.87 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.488 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 120' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -63.32 -46.49 86.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.863 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 121' ' ' HIS . . . . . 0.759 ' HB3' HE22 ' C' ' 56' ' ' GLN . 48.9 m-70 -55.95 -34.33 65.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.588 179.705 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 122' ' ' LEU . . . . . 0.851 HD22 ' O ' ' D' ' 116' ' ' VAL . 28.4 tp -56.29 -47.61 78.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.063 179.481 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 123' ' ' HIS . . . . . 0.839 ' HA ' HD12 ' D' ' 126' ' ' LEU . 12.2 m-70 -52.44 -25.81 11.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.843 179.082 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 124' ' ' THR . . . . . 0.593 HG22 HD11 ' D' ' 128' ' ' LEU . 3.2 m -78.47 -34.36 47.69 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.511 178.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 125' ' ' LEU . . . . . 0.855 HD13 HG12 ' C' ' 53' ' ' ILE . 33.8 mt -66.5 -45.18 80.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.287 -0.87 . . . . 0.0 111.213 179.706 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 126' ' ' LEU . . . . . 0.978 ' CB ' ' HB1' ' D' ' 85' ' ' ALA . 0.1 OUTLIER -73.14 -37.1 66.74 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.821 -179.674 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 127' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.07 -52.4 65.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.952 0.406 . . . . 0.0 110.873 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 128' ' ' LEU . . . . . 0.922 HD21 ' CD2' ' A' ' 59' ' ' TYR . 3.2 mt -73.09 -33.15 65.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.8 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 129' ' ' TYR . . . . . 0.907 ' CE2' HG23 ' C' ' 43' ' ' ILE . 0.6 OUTLIER -55.69 -51.9 65.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.154 -179.497 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 130' ' ' ASP . . . . . 0.472 ' CB ' ' HB3' ' D' ' 82' ' ' LEU . 3.4 m-20 -75.75 -35.4 60.18 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.035 -179.748 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.77 -46.57 74.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.064 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 132' ' ' ILE . . . . . 0.579 ' HB ' HD21 ' C' ' 48' ' ' LEU . 3.1 mt -76.22 -40.06 35.86 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 CA-C-O 120.988 0.423 . . . . 0.0 110.586 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 133' ' ' ASN . . . . . . . . . . . . . 26.7 t30 -62.51 -25.94 68.28 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.023 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 134' ' ' THR . . . . . 0.872 HG22 ' HD3' ' D' ' 135' ' ' LYS . 23.9 m -78.3 -54.79 5.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.577 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 135' ' ' LYS . . . . . 0.872 ' HD3' HG22 ' D' ' 134' ' ' THR . 0.0 OUTLIER 169.93 -27.83 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.83 179.44 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 136' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.239 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.292 -179.504 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.709 ' O ' HG23 ' A' ' 11' ' ' THR . 2.2 mtm-85 . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.277 0.084 . . . . 0.0 111.082 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.628 ' HB3' HG21 ' A' ' 53' ' ' ILE . 0.0 OUTLIER -76.51 -25.8 54.58 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 179.103 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.7 mm100 -80.31 -34.57 36.67 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 177.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.746 ' HB3' HG22 ' B' ' 116' ' ' VAL . 1.1 m-20 -76.59 -30.05 56.82 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.152 179.241 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.709 HG23 ' O ' ' A' ' 7' ' ' ARG . 20.7 p -72.89 -44.21 61.56 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.648 179.537 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -68.12 -36.59 79.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.316 179.603 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -73.91 -25.28 59.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.041 179.045 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.923 ' CB ' HG11 ' B' ' 116' ' ' VAL . . . -78.24 -54.81 5.82 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.556 178.795 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.733 HD22 ' HB3' ' A' ' 44' ' ' PHE . 0.4 OUTLIER -60.49 -26.34 66.75 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.594 179.198 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -73.19 -46.27 51.54 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 178.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.898 HD22 ' CE1' ' A' ' 21' ' ' TYR . 5.5 mt -62.44 -34.97 77.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.377 178.685 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.795 HD22 HG11 ' B' ' 92' ' ' VAL . 44.8 mt -64.2 -41.37 97.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.572 179.518 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.26 -44.98 96.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.72 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -73.2 -33.61 65.49 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.995 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.898 ' CE1' HD22 ' A' ' 17' ' ' LEU . 9.4 m-30 -65.99 -47.01 75.94 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.763 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.46 ' HA ' HD13 ' A' ' 37' ' ' ILE . 4.0 ptt180 -62.99 -42.52 99.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.912 0.387 . . . . 0.0 110.534 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.1 m -59.71 -35.37 74.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.01 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.6 ptmt -95.42 -18.58 20.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.494 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.817 HD12 HD11 ' A' ' 37' ' ' ILE . 0.3 OUTLIER -70.42 -65.76 0.69 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.026 0.441 . . . . 0.0 111.047 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.51 ' HB3' ' HB2' ' A' ' 34' ' ' ARG . 1.5 p -58.99 -159.97 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.133 -179.627 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 59.72 29.19 18.75 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.608 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.662 HG23 ' H ' ' A' ' 29' ' ' GLU . 5.0 t -152.77 -59.25 0.14 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.181 -179.658 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.662 ' H ' HG23 ' A' ' 28' ' ' THR . 14.7 pt-20 -175.37 28.16 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.644 -179.347 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.428 ' CB ' HD22 ' A' ' 25' ' ' LEU . 4.9 m-20 -146.01 48.06 1.23 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.985 0.422 . . . . 0.0 111.113 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.3 mmt180 -58.38 -50.44 73.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.183 0.516 . . . . 0.0 110.149 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -57.52 -47.22 82.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.067 179.282 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.95 HD21 ' HB2' ' B' ' 95' ' ' SER . 7.0 tp -55.32 -29.72 58.82 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.031 179.273 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.735 ' HA ' HD12 ' A' ' 37' ' ' ILE . 5.8 ttp180 -66.4 -42.71 87.44 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 178.384 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.515 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 1.3 m -62.13 -27.84 69.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.945 -1.025 . . . . 0.0 111.069 179.51 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.595 ' HB3' ' NE2' ' B' ' 91' ' ' GLN . 0.2 OUTLIER -75.96 -44.7 38.59 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.282 0.563 . . . . 0.0 110.28 179.526 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.817 HD11 HD12 ' A' ' 25' ' ' LEU . 4.1 mt -64.13 -41.3 92.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.379 179.143 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.551 ' HA ' HG12 ' A' ' 41' ' ' ILE . 8.1 pt-20 -64.6 -43.73 92.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.013 -179.15 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.514 ' HG2' ' O ' ' A' ' 36' ' ' SER . 6.0 ptp180 -59.69 -38.77 82.44 Favored 'General case' 0 CA--C 1.52 -0.21 0 C-N-CA 120.198 -0.601 . . . . 0.0 109.615 179.677 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 36' ' ' SER . 95.0 t -60.91 -40.71 86.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 178.012 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.677 HD11 ' HB3' ' A' ' 18' ' ' LEU . 12.8 mm -53.97 -57.71 5.1 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.722 179.766 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.6 p -58.38 -47.7 83.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.953 0.406 . . . . 0.0 110.867 -179.105 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.903 HG23 ' CE2' ' B' ' 129' ' ' TYR . 11.0 mt -59.92 -34.78 57.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.053 179.279 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.733 ' HB3' HD22 ' A' ' 15' ' ' LEU . 1.3 m-85 -72.29 -56.23 5.85 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.943 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.453 ' OE1' HG22 ' A' ' 41' ' ' ILE . 20.6 pt20 -78.64 -2.64 40.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.64 -179.204 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.536 ' HG ' ' HE1' ' B' ' 129' ' ' TYR . 0.2 OUTLIER -48.2 134.2 14.66 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.904 0.383 . . . . 0.0 110.884 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -52.15 -33.96 42.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.392 -179.54 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.852 ' O ' HD12 ' A' ' 48' ' ' LEU . 1.2 tp -79.77 -44.69 20.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.44 -179.766 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.819 ' CE1' HD11 ' A' ' 53' ' ' ILE . 37.4 t80 -50.24 -52.94 31.9 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 121.011 -0.276 . . . . 0.0 110.866 -179.202 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.554 ' OE1' HD12 ' A' ' 53' ' ' ILE . 23.5 mm-40 -60.27 -36.38 77.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.894 0.378 . . . . 0.0 110.044 179.212 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' A' ' 48' ' ' LEU . . . -58.63 -43.06 89.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.157 179.294 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.722 HD13 ' O ' ' B' ' 125' ' ' LEU . 0.5 OUTLIER -60.9 -43.7 98.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.723 178.885 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.819 HD11 ' CE1' ' A' ' 49' ' ' PHE . 35.0 mt -54.22 -36.91 34.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.269 179.112 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.03 -31.86 64.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.518 179.467 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.658 HG22 ' HB2' ' A' ' 59' ' ' TYR . 68.5 mt -68.97 -46.42 78.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.919 179.728 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -52.93 -21.75 4.73 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.581 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -46.09 -35.72 5.19 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.136 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.45 ' CG ' ' HB2' ' C' ' 65' ' ' ASP . 12.9 m-85 -152.37 21.44 0.64 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.66 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.962 ' CD2' HD21 ' D' ' 128' ' ' LEU . 34.9 m-85 -127.21 64.42 1.32 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.6 179.502 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.408 ' HB2' ' HB ' ' C' ' 62' ' ' THR . 1.6 mm-40 -50.74 94.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.414 -179.617 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.613 HG23 HG21 ' B' ' 124' ' ' THR . 0.2 OUTLIER -76.93 107.44 8.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.966 179.694 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.529 HG22 ' HB2' ' C' ' 60' ' ' GLU . 0.4 OUTLIER -95.77 130.26 42.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.716 -179.854 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.41 HD11 ' CZ ' ' C' ' 59' ' ' TYR . 0.1 OUTLIER -91.54 133.03 35.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.594 179.724 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.615 HD23 ' N ' ' A' ' 64' ' ' LEU . 0.1 OUTLIER -109.98 -27.72 9.08 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.953 -179.762 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.414 ' HB2' ' CG ' ' C' ' 58' ' ' PHE . 2.0 t0 -64.58 -37.75 88.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.412 179.708 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.465 0.311 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.797 179.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 81' ' ' GLY . . . . . 0.471 ' O ' ' HB2' ' B' ' 85' ' ' ALA . . . . . . . . 0 N--CA 1.45 -0.404 0 N-CA-C 108.592 -1.803 . . . . 0.0 108.592 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.701 HD22 ' HB2' ' B' ' 130' ' ' ASP . 0.3 OUTLIER -72.44 -34.65 67.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 114.0 -1.1 . . . . 0.0 108.595 176.913 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 83' ' ' LEU . . . . . 0.949 HD23 ' H ' ' B' ' 84' ' ' ALA . 0.5 OUTLIER -87.23 -41.34 13.78 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 114.308 -1.315 . . . . 0.0 110.96 -179.622 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.949 ' H ' HD23 ' B' ' 83' ' ' LEU . . . -76.48 -20.93 56.48 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.208 -0.905 . . . . 0.0 112.205 -178.085 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 85' ' ' ALA . . . . . 0.844 ' HB1' ' HB3' ' B' ' 126' ' ' LEU . . . -52.69 -24.91 9.51 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.227 0.537 . . . . 0.0 110.059 179.387 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -125.05 -44.64 1.9 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.636 178.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 87' ' ' ARG . . . . . 0.646 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 12.1 ttt85 -57.8 -49.65 75.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.36 179.077 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 88' ' ' ALA . . . . . 0.855 ' HB2' ' HB1' ' B' ' 84' ' ' ALA . . . -57.75 -44.73 86.29 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.575 -179.121 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 89' ' ' VAL . . . . . 0.503 HG12 ' HB3' ' B' ' 117' ' ' PHE . 34.6 t -63.58 -30.32 49.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.56 179.613 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 13.0 t -75.46 -28.18 59.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.128 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 91' ' ' GLN . . . . . 0.602 ' HG3' ' O ' ' B' ' 87' ' ' ARG . 2.3 mt-30 -69.54 -53.28 19.76 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 179.475 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 92' ' ' VAL . . . . . 0.795 HG11 HD22 ' A' ' 18' ' ' LEU . 3.2 t -65.63 -28.1 43.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.791 178.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 93' ' ' LEU . . . . . 0.754 HD21 ' HA ' ' B' ' 114' ' ' HIS . 2.7 mt -66.24 -38.43 87.87 Favored 'General case' 0 C--O 1.23 0.068 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.455 179.666 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -80.2 -38.62 30.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.988 0.423 . . . . 0.0 110.797 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 95' ' ' SER . . . . . 0.95 ' HB2' HD21 ' A' ' 33' ' ' LEU . 2.2 p -79.58 -21.4 45.07 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.573 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 96' ' ' LEU . . . . . 1.085 HD22 HD22 ' B' ' 110' ' ' LEU . 0.2 OUTLIER -34.83 -52.95 0.55 Allowed 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -179.162 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -70.18 -29.35 66.21 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.285 -179.291 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 98' ' ' GLU . . . . . 0.79 ' O ' ' HB3' ' B' ' 101' ' ' ALA . 0.4 OUTLIER -70.12 -34.1 72.67 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 177.874 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 99' ' ' ILE . . . . . 0.556 ' O ' HG23 ' B' ' 103' ' ' THR . 19.3 mt -62.55 -49.17 84.9 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.869 0 CA-C-N 114.513 -1.221 . . . . 0.0 109.817 178.624 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 100' ' ' HIS . . . . . 0.775 ' HB2' HD11 ' B' ' 110' ' ' LEU . 0.2 OUTLIER -57.01 -34.85 68.58 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 178.187 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 101' ' ' ALA . . . . . 0.79 ' HB3' ' O ' ' B' ' 98' ' ' GLU . . . -54.29 -46.1 72.68 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 114.562 -1.199 . . . . 0.0 111.557 179.298 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 102' ' ' LEU . . . . . 0.659 HD12 HG23 ' B' ' 103' ' ' THR . 0.4 OUTLIER -116.94 33.38 5.64 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.443 -0.798 . . . . 0.0 112.465 -177.766 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 103' ' ' THR . . . . . 0.659 HG23 HD12 ' B' ' 102' ' ' LEU . 43.5 p -147.85 -32.86 0.26 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 111.675 0.25 . . . . 0.0 111.675 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 1.6 t0 74.77 25.6 1.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.038 0.447 . . . . 0.0 110.545 -179.289 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 105' ' ' SER . . . . . 0.452 ' HB3' ' CZ ' ' A' ' 21' ' ' TYR . 3.7 m -65.12 -12.1 47.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.459 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 106' ' ' SER . . . . . 0.411 ' CB ' ' O ' ' B' ' 105' ' ' SER . 1.6 p 80.62 123.34 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.886 0.374 . . . . 0.0 110.965 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -55.73 -31.02 62.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.939 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 19.0 mmtt -54.41 -53.51 53.07 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.093 0.473 . . . . 0.0 110.316 179.497 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 109' ' ' ASP . . . . . 0.625 ' O ' HD12 ' B' ' 113' ' ' LEU . 4.7 m-20 -62.05 -40.17 94.84 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.859 179.167 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 110' ' ' LEU . . . . . 1.085 HD22 HD22 ' B' ' 96' ' ' LEU . 28.5 mt -59.71 -39.81 85.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.351 179.221 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 111' ' ' ASP . . . . . 0.432 ' HA ' ' HD2' ' B' ' 114' ' ' HIS . 82.8 m-20 -62.5 -44.91 95.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.773 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 112' ' ' PHE . . . . . 0.567 ' O ' HG23 ' B' ' 116' ' ' VAL . 0.8 OUTLIER -58.29 -38.79 77.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.424 179.758 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 113' ' ' LEU . . . . . 0.716 HD11 ' CD1' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -74.94 -28.16 60.48 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.005 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 114' ' ' HIS . . . . . 0.754 ' HA ' HD21 ' B' ' 93' ' ' LEU . 0.0 OUTLIER -64.13 -35.77 81.84 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 178.666 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 2.8 m -76.23 -37.66 57.42 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 178.581 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 116' ' ' VAL . . . . . 0.923 HG11 ' CB ' ' A' ' 14' ' ' ALA . 41.0 t -62.43 -24.7 35.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.915 178.463 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 117' ' ' PHE . . . . . 0.63 ' CZ ' HD11 ' A' ' 18' ' ' LEU . 20.7 m-85 -98.95 -34.28 10.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.74 -0.663 . . . . 0.0 111.144 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 118' ' ' GLN . . . . . 0.512 ' NE2' ' ND1' ' B' ' 114' ' ' HIS . 0.0 OUTLIER -63.63 -28.51 69.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.227 -179.479 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -44.91 114.14 0.67 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.558 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -60.72 -43.88 97.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.748 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 121' ' ' HIS . . . . . 0.415 ' O ' ' HG ' ' B' ' 125' ' ' LEU . 8.7 m170 -57.11 -34.63 68.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.636 179.766 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 122' ' ' LEU . . . . . 0.91 HD12 HD12 ' B' ' 125' ' ' LEU . 38.5 tp -56.16 -49.06 75.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.507 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 123' ' ' HIS . . . . . 0.989 ' HA ' HD12 ' B' ' 126' ' ' LEU . 16.6 m170 -54.34 -26.36 29.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.074 179.071 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 124' ' ' THR . . . . . 0.613 HG21 HG23 ' A' ' 61' ' ' VAL . 1.4 m -74.26 -37.19 63.81 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 178.803 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 125' ' ' LEU . . . . . 0.91 HD12 HD12 ' B' ' 122' ' ' LEU . 4.0 mt -71.89 -33.85 68.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.479 178.584 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 126' ' ' LEU . . . . . 0.989 HD12 ' HA ' ' B' ' 123' ' ' HIS . 4.3 mt -73.13 -50.1 24.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.965 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -59.69 -53.37 58.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.105 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 128' ' ' LEU . . . . . 0.927 HD21 ' CD2' ' C' ' 59' ' ' TYR . 17.6 mt -62.53 -34.93 77.9 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.549 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 129' ' ' TYR . . . . . 0.903 ' CE2' HG23 ' A' ' 43' ' ' ILE . 0.9 OUTLIER -56.05 -50.45 70.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.964 -179.838 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 130' ' ' ASP . . . . . 0.701 ' HB2' HD22 ' B' ' 82' ' ' LEU . 0.0 OUTLIER -75.42 -34.33 61.02 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.028 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.94 -49.68 70.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.231 -179.673 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 132' ' ' ILE . . . . . 0.66 HD12 ' O ' ' B' ' 128' ' ' LEU . 2.7 mt -75.02 -39.39 44.17 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.433 0 CA-C-O 120.798 0.333 . . . . 0.0 110.879 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 133' ' ' ASN . . . . . 0.428 ' HB2' ' O ' ' B' ' 129' ' ' TYR . 0.2 OUTLIER -60.68 -25.61 66.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.966 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 134' ' ' THR . . . . . 0.649 HG22 ' O ' ' B' ' 134' ' ' THR . 58.6 m -95.12 33.22 1.56 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.078 0.466 . . . . 0.0 111.159 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 2.5 mttm -142.5 -40.15 0.34 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.235 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 81.1 p . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.172 -179.933 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 7' ' ' ARG . . . . . 0.45 ' HA ' ' OD2' ' C' ' 10' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.159 0 CA-C-O 120.518 0.199 . . . . 0.0 110.67 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 8' ' ' LYS . . . . . 0.813 ' HG2' HG21 ' C' ' 53' ' ' ILE . 2.5 mttm -67.06 -30.62 70.72 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 121.194 0.521 . . . . 0.0 110.026 178.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 -80.32 -30.41 38.12 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.292 179.402 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 10' ' ' ASP . . . . . 0.504 ' OD1' ' N ' ' C' ' 11' ' ' THR . 13.9 p30 -83.94 -28.84 27.54 Favored 'General case' 0 C--N 1.333 -0.136 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.136 179.367 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 11' ' ' THR . . . . . 0.504 ' N ' ' OD1' ' C' ' 10' ' ' ASP . 13.3 p -73.35 -40.3 64.51 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.903 178.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.3 -49.16 58.5 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.109 179.161 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.06 -23.8 67.28 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.991 178.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 14' ' ' ALA . . . . . 0.73 ' CB ' HG11 ' D' ' 116' ' ' VAL . . . -78.28 -54.2 6.48 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.831 179.177 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 15' ' ' LEU . . . . . 0.917 HD22 ' HB3' ' C' ' 44' ' ' PHE . 0.5 OUTLIER -67.13 -28.55 68.23 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.464 179.496 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 16' ' ' HIS . . . . . . . . . . . . . 22.2 t-80 -68.81 -44.31 73.78 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 178.273 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 17' ' ' LEU . . . . . 0.73 HD22 ' CE1' ' C' ' 21' ' ' TYR . 3.5 mt -65.79 -34.37 78.02 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.299 178.33 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 18' ' ' LEU . . . . . 0.926 ' CD2' HG11 ' D' ' 92' ' ' VAL . 20.1 mt -62.55 -50.33 71.78 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.873 179.738 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 19' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' C' ' 20' ' ' GLU . 5.4 pt-20 -60.72 -33.98 73.71 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.702 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 20' ' ' GLU . . . . . 0.41 ' N ' ' HG3' ' C' ' 19' ' ' GLU . 47.5 mt-10 -75.07 -37.27 61.66 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-O 121.117 0.484 . . . . 0.0 110.011 179.287 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 21' ' ' TYR . . . . . 0.73 ' CE1' HD22 ' C' ' 17' ' ' LEU . 16.2 m-30 -67.23 -47.37 70.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.433 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 22' ' ' ARG . . . . . 0.46 ' HG3' ' N ' ' C' ' 23' ' ' SER . 0.1 OUTLIER -59.18 -43.28 92.17 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.805 0.335 . . . . 0.0 110.467 179.465 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 23' ' ' SER . . . . . 0.46 ' N ' ' HG3' ' C' ' 22' ' ' ARG . 3.6 m -59.7 -35.81 75.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.363 179.412 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 24' ' ' LYS . . . . . 0.454 ' O ' HG22 ' D' ' 103' ' ' THR . 7.6 ptmt -100.48 6.05 44.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.262 179.671 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 25' ' ' LEU . . . . . 0.891 HD12 HD11 ' C' ' 37' ' ' ILE . 0.3 OUTLIER -95.72 -67.02 0.87 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.914 0.388 . . . . 0.0 111.227 -179.638 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 26' ' ' SER . . . . . 0.541 ' HB3' ' HB2' ' C' ' 34' ' ' ARG . 1.8 p -59.89 -159.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.166 -179.292 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 27' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 59.05 29.58 19.17 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.496 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 28' ' ' THR . . . . . 0.689 HG23 ' H ' ' C' ' 29' ' ' GLU . 4.4 t -151.73 -60.64 0.17 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.285 -179.461 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 29' ' ' GLU . . . . . 0.689 ' H ' HG23 ' C' ' 28' ' ' THR . 17.2 pt-20 -174.19 28.8 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.721 -179.154 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 30' ' ' ASP . . . . . 0.606 ' HB2' HD22 ' C' ' 25' ' ' LEU . 4.0 m-20 -149.25 49.83 0.96 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.904 0.383 . . . . 0.0 111.078 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.99 -55.01 37.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.349 0.595 . . . . 0.0 110.572 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 3.9 tm0? -52.44 -48.26 65.89 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.45 -0.795 . . . . 0.0 109.93 179.122 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 33' ' ' LEU . . . . . 0.821 HD21 ' HB2' ' D' ' 95' ' ' SER . 9.2 tp -54.43 -34.37 61.25 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.96 178.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 34' ' ' ARG . . . . . 0.541 ' HB2' ' HB3' ' C' ' 26' ' ' SER . 5.3 ttp180 -60.88 -43.46 98.4 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.434 178.794 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.48 -35.83 74.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.238 179.228 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 36' ' ' SER . . . . . 0.418 ' O ' ' HG2' ' C' ' 39' ' ' ARG . 67.4 m -62.36 -51.81 66.11 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.598 179.711 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 37' ' ' ILE . . . . . 0.891 HD11 HD12 ' C' ' 25' ' ' LEU . 7.6 mt -58.57 -41.84 83.07 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.325 0 CA-C-O 121.397 0.618 . . . . 0.0 109.389 178.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -58.29 -52.07 67.14 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.786 -1.097 . . . . 0.0 112.017 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 39' ' ' ARG . . . . . 0.926 ' NH1' HE22 ' D' ' 91' ' ' GLN . 6.0 ptp180 -55.74 -37.78 68.93 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.396 -0.522 . . . . 0.0 110.236 -179.607 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 40' ' ' VAL . . . . . 0.586 HG12 ' CD2' ' C' ' 44' ' ' PHE . 64.4 t -64.87 -33.61 64.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 178.289 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 41' ' ' ILE . . . . . 0.833 HD11 ' CB ' ' C' ' 18' ' ' LEU . 44.4 mm -68.41 -60.13 2.86 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.132 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.175 179.501 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 20.3 p -53.63 -46.72 70.58 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.053 0.454 . . . . 0.0 110.333 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 43' ' ' ILE . . . . . 0.453 HG23 ' CE2' ' D' ' 129' ' ' TYR . 15.8 mt -60.07 -33.14 52.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.705 178.817 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 44' ' ' PHE . . . . . 0.917 ' HB3' HD22 ' C' ' 15' ' ' LEU . 0.4 OUTLIER -72.53 -58.72 3.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.711 179.49 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 45' ' ' GLN . . . . . 0.535 ' OE1' HG22 ' C' ' 41' ' ' ILE . 38.9 mt-30 -62.89 -22.37 66.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.61 -0.723 . . . . 0.0 112.162 -178.637 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 46' ' ' SER . . . . . 0.432 ' CB ' ' CE1' ' D' ' 129' ' ' TYR . 0.2 OUTLIER -41.13 156.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.91 0.386 . . . . 0.0 111.744 -179.378 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -79.53 -33.51 41.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.463 -179.383 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 48' ' ' LEU . . . . . 0.783 HD12 ' HA ' ' D' ' 129' ' ' TYR . 0.4 OUTLIER -69.35 -45.91 68.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.993 0.425 . . . . 0.0 110.124 179.879 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 49' ' ' PHE . . . . . 0.87 ' CE2' HD11 ' C' ' 53' ' ' ILE . 68.7 t80 -51.48 -56.01 15.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.233 -179.608 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -54.76 -38.8 67.64 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.596 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 51' ' ' ALA . . . . . 0.451 ' CB ' HG23 ' B' ' 132' ' ' ILE . . . -58.87 -46.32 88.07 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.459 179.522 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 52' ' ' LEU . . . . . 0.456 HD12 HD12 ' C' ' 48' ' ' LEU . 2.3 mt -60.12 -45.09 94.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.201 179.327 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 53' ' ' ILE . . . . . 0.87 HD11 ' CE2' ' C' ' 49' ' ' PHE . 59.3 mt -55.09 -35.77 36.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.42 179.493 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.34 -39.16 81.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.063 179.288 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 55' ' ' ILE . . . . . 0.791 HG22 ' HB2' ' C' ' 59' ' ' TYR . 78.0 mt -57.73 -42.32 81.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.637 179.406 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 56' ' ' GLN . . . . . 0.486 ' OE1' HD21 ' D' ' 125' ' ' LEU . 1.0 OUTLIER -53.73 -23.34 11.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.457 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 57' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -49.19 -31.34 8.32 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.307 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 58' ' ' PHE . . . . . 0.48 ' HA ' ' HG ' ' A' ' 64' ' ' LEU . 48.7 m-85 -154.37 25.85 0.47 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.477 -0.328 . . . . 0.0 111.637 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 59' ' ' TYR . . . . . 0.927 ' CD2' HD21 ' B' ' 128' ' ' LEU . 68.8 m-85 -137.7 107.7 6.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.85 179.659 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 60' ' ' GLU . . . . . 0.529 ' HB2' HG22 ' A' ' 62' ' ' THR . 4.3 mm-40 -90.2 98.41 11.75 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.58 179.698 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 61' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -72.56 96.62 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.002 0.43 . . . . 0.0 110.632 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 62' ' ' THR . . . . . 0.408 ' HB ' ' HB2' ' A' ' 60' ' ' GLU . 18.0 m -81.13 123.71 28.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.62 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 63' ' ' LEU . . . . . 0.642 HD11 ' CZ ' ' A' ' 59' ' ' TYR . 5.7 tp -94.99 121.23 36.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.953 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 64' ' ' LEU . . . . . 0.769 ' N ' HD23 ' C' ' 64' ' ' LEU . 0.0 OUTLIER -101.93 -28.07 12.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.638 179.776 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 65' ' ' ASP . . . . . 0.45 ' HB2' ' CG ' ' A' ' 58' ' ' PHE . 0.3 OUTLIER -146.16 -79.76 0.16 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.983 179.89 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 66' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 -179.915 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 81' ' ' GLY . . . . . 0.713 ' O ' ' HB2' ' D' ' 85' ' ' ALA . . . . . . . . 0 N--CA 1.448 -0.532 0 N-CA-C 111.585 -0.606 . . . . 0.0 111.585 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 82' ' ' LEU . . . . . 0.846 ' N ' HD23 ' D' ' 82' ' ' LEU . 0.4 OUTLIER -88.93 -31.44 18.19 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 121.037 0.446 . . . . 0.0 110.263 179.701 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 83' ' ' LEU . . . . . 0.862 HD23 ' H ' ' D' ' 84' ' ' ALA . 0.3 OUTLIER -67.83 -40.64 83.73 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.18 -179.922 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 84' ' ' ALA . . . . . 0.996 ' HB1' ' HB2' ' D' ' 88' ' ' ALA . . . -93.31 -17.49 23.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.53 -0.759 . . . . 0.0 112.042 -178.805 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 85' ' ' ALA . . . . . 0.85 ' HB1' ' HB2' ' D' ' 126' ' ' LEU . . . -52.0 -23.43 5.14 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.157 0.503 . . . . 0.0 110.566 -179.679 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 86' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -126.05 -38.4 2.17 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.587 178.679 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 87' ' ' ARG . . . . . 0.749 ' HB3' ' O ' ' D' ' 83' ' ' LEU . 35.2 ttt180 -62.99 -53.11 59.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.144 178.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 88' ' ' ALA . . . . . 0.996 ' HB2' ' HB1' ' D' ' 84' ' ' ALA . . . -57.77 -43.91 85.82 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.971 179.722 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 89' ' ' VAL . . . . . 0.618 HG12 ' HB3' ' D' ' 117' ' ' PHE . 38.9 t -72.03 -35.02 52.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.457 179.28 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 90' ' ' SER . . . . . 0.407 ' HA ' ' HB2' ' D' ' 93' ' ' LEU . 8.2 m -75.26 -26.09 58.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.371 179.081 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 91' ' ' GLN . . . . . 0.926 HE22 ' NH1' ' C' ' 39' ' ' ARG . 73.0 mt-30 -66.89 -57.29 7.25 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-O 121.369 0.604 . . . . 0.0 109.526 179.289 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 92' ' ' VAL . . . . . 0.926 HG11 ' CD2' ' C' ' 18' ' ' LEU . 9.4 t -65.02 -27.83 43.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.063 -0.971 . . . . 0.0 109.933 179.222 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 93' ' ' LEU . . . . . 0.786 HD21 ' HA ' ' D' ' 114' ' ' HIS . 3.4 mt -66.74 -35.28 79.73 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.485 179.627 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -87.14 -34.42 19.09 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.716 0.293 . . . . 0.0 111.493 -179.278 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 95' ' ' SER . . . . . 0.821 ' HB2' HD21 ' C' ' 33' ' ' LEU . 2.9 p -79.6 -20.75 46.15 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.888 -179.428 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 96' ' ' LEU . . . . . 0.722 HD13 ' HB3' ' D' ' 110' ' ' LEU . 0.1 OUTLIER -38.04 -50.58 1.36 Allowed 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -179.234 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -69.16 -31.82 70.73 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.058 -179.093 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 98' ' ' GLU . . . . . 0.807 ' OE2' HD21 ' D' ' 102' ' ' LEU . 0.0 OUTLIER -68.87 -34.91 76.23 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 177.864 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 99' ' ' ILE . . . . . 0.579 HG23 HG21 ' D' ' 103' ' ' THR . 26.9 mt -60.69 -50.1 81.83 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.792 0 CA-C-N 114.454 -1.248 . . . . 0.0 110.174 178.726 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 100' ' ' HIS . . . . . 0.775 ' HB2' HD11 ' D' ' 110' ' ' LEU . 1.0 OUTLIER -54.59 -39.12 67.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 122.018 0.913 . . . . 0.0 108.645 178.316 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 101' ' ' ALA . . . . . 0.797 ' HB3' ' O ' ' D' ' 98' ' ' GLU . . . -52.39 -45.79 65.99 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 113.748 -1.569 . . . . 0.0 112.194 179.633 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 102' ' ' LEU . . . . . 0.807 HD21 ' OE2' ' D' ' 98' ' ' GLU . 0.4 OUTLIER -117.67 25.33 10.47 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 -177.381 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 103' ' ' THR . . . . . 0.698 HG23 HD12 ' D' ' 102' ' ' LEU . 31.3 p -142.26 -29.64 0.58 Allowed 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.974 -0.29 . . . . 0.0 111.617 179.611 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 37.9 t70 64.79 28.53 12.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.991 0.424 . . . . 0.0 110.078 -179.238 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 105' ' ' SER . . . . . 0.439 ' HB3' ' CE1' ' C' ' 21' ' ' TYR . 0.1 OUTLIER -49.46 -83.1 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.178 -179.894 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 106' ' ' SER . . . . . . . . . . . . . 5.3 t 165.87 109.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.144 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 107' ' ' GLU . . . . . 0.673 ' HA ' HD12 ' D' ' 110' ' ' LEU . 0.1 OUTLIER -49.01 -38.06 22.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.882 0.372 . . . . 0.0 110.786 -179.833 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.47 -46.14 91.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.103 0.477 . . . . 0.0 109.963 179.201 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 109' ' ' ASP . . . . . 0.807 ' O ' HD12 ' D' ' 113' ' ' LEU . 7.2 m-20 -69.08 -31.78 70.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.829 178.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 110' ' ' LEU . . . . . 0.775 HD11 ' HB2' ' D' ' 100' ' ' HIS . 86.2 mt -67.41 -44.91 77.68 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.233 179.396 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 111' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.93 -38.37 90.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.51 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 112' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -61.67 -43.87 98.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.353 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 113' ' ' LEU . . . . . 0.807 HD12 ' O ' ' D' ' 109' ' ' ASP . 0.4 OUTLIER -70.79 -38.75 73.37 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.825 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 114' ' ' HIS . . . . . 0.786 ' HA ' HD21 ' D' ' 93' ' ' LEU . 0.0 OUTLIER -58.71 -33.68 70.46 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 178.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 115' ' ' SER . . . . . . . . . . . . . 23.9 p -72.66 -36.93 68.08 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 177.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 116' ' ' VAL . . . . . 0.749 ' O ' HD22 ' D' ' 122' ' ' LEU . 3.5 t -62.71 -30.74 50.06 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 CA-C-N 115.208 -0.905 . . . . 0.0 109.273 178.047 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 117' ' ' PHE . . . . . 0.636 ' CZ ' HD11 ' C' ' 18' ' ' LEU . 13.6 m-30 -93.59 -26.92 16.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.516 -179.632 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 118' ' ' GLN . . . . . 0.41 ' HB2' ' O ' ' D' ' 114' ' ' HIS . 0.4 OUTLIER -69.15 -30.61 68.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.838 0.352 . . . . 0.0 111.158 -179.56 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -45.25 115.24 0.88 Allowed 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.372 -179.714 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 120' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -60.33 -35.67 76.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.823 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 121' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -64.9 -34.96 79.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.823 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 122' ' ' LEU . . . . . 0.865 ' O ' HD12 ' D' ' 126' ' ' LEU . 28.1 tp -56.54 -50.21 72.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.326 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 123' ' ' HIS . . . . . 0.444 ' HA ' HD13 ' D' ' 126' ' ' LEU . 13.7 m170 -51.79 -27.88 13.66 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.13 0.491 . . . . 0.0 110.228 178.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 124' ' ' THR . . . . . 0.747 HG22 HD11 ' D' ' 128' ' ' LEU . 3.9 m -74.73 -35.51 62.67 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 115.641 -0.708 . . . . 0.0 109.869 179.36 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 125' ' ' LEU . . . . . 0.486 HD21 ' OE1' ' C' ' 56' ' ' GLN . 16.2 mt -63.64 -44.83 92.7 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.78 179.683 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 126' ' ' LEU . . . . . 0.865 HD12 ' O ' ' D' ' 122' ' ' LEU . 2.6 mp -67.04 -42.93 83.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.811 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 127' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -59.7 -53.25 60.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.9 179.605 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 128' ' ' LEU . . . . . 0.962 HD21 ' CD2' ' A' ' 59' ' ' TYR . 4.1 mt -69.79 -29.37 66.67 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.256 179.514 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 129' ' ' TYR . . . . . 0.783 ' HA ' HD12 ' C' ' 48' ' ' LEU . 4.8 t80 -55.15 -52.28 63.78 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.18 -179.398 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 130' ' ' ASP . . . . . 0.502 ' HB3' ' CD2' ' D' ' 82' ' ' LEU . 7.5 t70 -77.03 -32.15 56.79 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.172 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 131' ' ' LYS . . . . . . . . . . . . . 7.8 tttt -54.57 -51.51 65.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.934 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 132' ' ' ILE . . . . . 0.729 ' CG2' HD13 ' A' ' 48' ' ' LEU . 3.0 mt -77.72 -42.7 29.28 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 CA-C-O 120.981 0.42 . . . . 0.0 110.781 179.746 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 133' ' ' ASN . . . . . . . . . . . . . 58.3 t-20 -56.64 -25.93 54.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.748 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 134' ' ' THR . . . . . 0.459 HG22 ' O ' ' D' ' 134' ' ' THR . 97.7 m -83.39 -3.41 57.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.033 179.733 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 135' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 79.77 -9.81 1.39 Allowed 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.657 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 136' ' ' SER . . . . . . . . . . . . . 2.8 t . . . . . 0 C--N 1.331 -0.236 0 CA-C-O 120.783 0.325 . . . . 0.0 111.192 179.946 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.416 HH21 HG22 ' B' ' 116' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.87 -38.06 84.28 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 121.084 0.469 . . . . 0.0 110.004 179.202 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -75.94 -32.26 59.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.228 179.402 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 -75.42 -32.2 60.62 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.235 179.697 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.6 p -71.57 -47.15 56.82 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.253 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.541 ' HA ' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -63.19 -36.75 84.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.897 0.38 . . . . 0.0 110.189 179.597 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 -72.96 -25.52 61.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.177 179.111 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.796 ' CB ' HG11 ' B' ' 116' ' ' VAL . . . -78.21 -55.39 5.3 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 109.543 -0.539 . . . . 0.0 109.543 179.149 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.807 ' O ' HD12 ' A' ' 41' ' ' ILE . 0.4 OUTLIER -61.08 -28.67 69.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.21 179.477 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 18.4 t-160 -73.64 -44.47 56.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.123 0.487 . . . . 0.0 109.848 179.267 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.856 HD22 ' CZ ' ' A' ' 21' ' ' TYR . 1.3 mt -61.76 -49.5 76.15 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.703 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 1.065 HD22 HG11 ' B' ' 92' ' ' VAL . 1.1 mt -61.77 -32.87 73.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.296 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.456 ' CG ' HG21 ' A' ' 41' ' ' ILE . 5.5 mt-10 -58.7 -48.07 82.38 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.182 0.515 . . . . 0.0 110.12 179.033 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -70.91 -31.72 68.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.873 179.13 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.856 ' CZ ' HD22 ' A' ' 17' ' ' LEU . 16.5 m-30 -64.83 -47.53 77.65 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.762 179.715 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.421 ' HB3' HG21 ' A' ' 37' ' ' ILE . 0.9 OUTLIER -61.31 -41.87 97.71 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.757 0.313 . . . . 0.0 110.464 179.753 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 52.1 p -57.05 -38.92 73.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.276 179.244 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.9 ptmt -98.87 1.07 45.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.586 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 1.005 HD12 HD11 ' A' ' 37' ' ' ILE . 0.1 OUTLIER -89.2 -67.17 0.86 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.964 0.412 . . . . 0.0 111.258 -179.641 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.493 ' HB3' ' HB2' ' A' ' 34' ' ' ARG . 2.2 p -59.85 -159.24 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.122 -179.49 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.409 ' OE1' ' NH1' ' A' ' 31' ' ' ARG . 1.6 mp0 59.43 28.54 17.94 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 120.962 0.41 . . . . 0.0 110.619 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.701 HG23 ' H ' ' A' ' 29' ' ' GLU . 4.3 t -150.02 -60.49 0.2 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.201 -179.625 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.701 ' H ' HG23 ' A' ' 28' ' ' THR . 22.3 pt-20 -173.66 27.86 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.613 -0.722 . . . . 0.0 111.648 -179.256 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.507 ' HB2' HD22 ' A' ' 25' ' ' LEU . 6.5 m-20 -147.53 54.85 1.07 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.034 0.445 . . . . 0.0 110.87 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.409 ' NH1' ' OE1' ' A' ' 27' ' ' GLN . 0.4 OUTLIER -64.84 -48.75 73.2 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.881 179.52 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.84 -47.32 83.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.831 178.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.58 HD21 ' CB ' ' B' ' 95' ' ' SER . 9.0 tp -54.97 -35.06 63.89 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.035 179.027 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.493 ' HB2' ' HB3' ' A' ' 26' ' ' SER . 6.4 ttp180 -60.55 -43.72 96.92 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.417 178.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.46 ' HA ' ' HG2' ' A' ' 38' ' ' GLU . 1.0 OUTLIER -61.02 -33.5 73.36 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.329 179.141 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.511 ' HB3' ' HB3' ' B' ' 91' ' ' GLN . 0.6 OUTLIER -66.8 -45.7 77.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.297 0.57 . . . . 0.0 110.424 179.51 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 1.005 HD11 HD12 ' A' ' 25' ' ' LEU . 58.4 mt -59.22 -49.57 82.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.753 179.647 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.528 ' HA ' HG12 ' A' ' 41' ' ' ILE . 7.2 pt-20 -59.89 -33.25 71.6 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.525 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.488 ' HB3' ' HB1' ' B' ' 88' ' ' ALA . 10.8 mtt180 -55.65 -53.11 60.55 Favored 'General case' 0 CA--C 1.516 -0.357 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 178.566 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.661 HG11 ' CZ ' ' B' ' 117' ' ' PHE . 61.7 t -60.02 -30.24 45.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.0 178.816 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.807 HD12 ' O ' ' A' ' 15' ' ' LEU . 9.4 mm -70.02 -58.12 6.32 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-N 116.094 -0.503 . . . . 0.0 112.314 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.2 p -61.35 -46.65 89.35 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-O 120.891 0.377 . . . . 0.0 110.919 -178.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.795 HG23 ' CE2' ' B' ' 129' ' ' TYR . 14.0 mt -59.73 -34.2 54.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.37 179.508 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.792 ' HB3' HD22 ' A' ' 15' ' ' LEU . 2.2 m-85 -72.35 -56.53 5.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.512 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.454 ' HG2' ' O ' ' A' ' 41' ' ' ILE . 21.3 pt20 -79.29 -0.51 32.69 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -177.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.495 ' CB ' ' CE1' ' B' ' 129' ' ' TYR . 0.2 OUTLIER -50.57 165.18 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.826 0.346 . . . . 0.0 111.077 -179.849 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -77.8 -41.69 36.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.199 -179.636 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.923 HD12 ' HA ' ' B' ' 129' ' ' TYR . 0.6 OUTLIER -70.08 -47.1 63.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.458 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.918 ' CE2' HD11 ' A' ' 53' ' ' ILE . 55.7 t80 -51.25 -56.12 14.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.911 -179.53 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -54.87 -48.49 72.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.013 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.67 -35.83 77.23 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.228 0.537 . . . . 0.0 110.506 179.601 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.88 HD11 ' HA ' ' B' ' 125' ' ' LEU . 0.0 OUTLIER -70.04 -39.44 75.72 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.91 179.48 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.918 HD11 ' CE2' ' A' ' 49' ' ' PHE . 59.2 mt -58.25 -35.86 55.27 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 178.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -66.17 -41.12 90.77 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.246 178.465 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.612 HD11 HG12 ' D' ' 132' ' ' ILE . 77.1 mt -53.49 -40.54 41.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.508 179.003 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -55.68 -20.07 12.91 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.584 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.411 ' O ' ' CG ' ' A' ' 58' ' ' PHE . 13.3 pt-20 -43.53 -34.64 1.42 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.739 0.304 . . . . 0.0 111.334 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.481 ' CD1' ' HB2' ' C' ' 65' ' ' ASP . 68.1 m-85 -158.79 27.74 0.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.262 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.942 ' CD2' HD21 ' D' ' 128' ' ' LEU . 10.8 m-85 -132.88 77.12 1.72 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.877 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.406 ' HB2' ' HB ' ' C' ' 62' ' ' THR . 1.4 mt-10 -67.11 94.48 0.35 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.672 0.272 . . . . 0.0 110.63 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.711 HG12 HG13 ' C' ' 61' ' ' VAL . 0.2 OUTLIER -72.57 106.44 2.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.92 0.39 . . . . 0.0 111.267 -179.885 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.5 m -91.92 118.51 30.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.409 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.506 HD11 ' OH ' ' C' ' 59' ' ' TYR . 0.2 OUTLIER -90.53 127.38 36.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.826 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.742 HD23 ' N ' ' A' ' 64' ' ' LEU . 0.1 OUTLIER -111.05 -22.41 11.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.991 -179.817 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.406 ' OD1' ' CE2' ' C' ' 58' ' ' PHE . 0.4 OUTLIER -82.98 -4.98 58.89 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.873 179.495 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 . . . . . 0 C--N 1.332 -0.157 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.272 -179.971 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.667 0 N-CA-C 110.007 -1.237 . . . . 0.0 110.007 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.816 HD23 ' N ' ' B' ' 82' ' ' LEU . 0.3 OUTLIER -87.59 -34.39 18.54 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 178.349 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 83' ' ' LEU . . . . . 1.004 HD23 ' H ' ' B' ' 84' ' ' ALA . 0.3 OUTLIER -64.95 -48.6 73.51 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.353 179.891 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 1.004 ' H ' HD23 ' B' ' 83' ' ' LEU . . . -71.01 -24.68 62.42 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.921 -179.56 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 85' ' ' ALA . . . . . 0.927 ' HB1' ' HB2' ' B' ' 126' ' ' LEU . . . -53.03 -25.34 12.08 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.244 179.632 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -124.97 -43.64 1.96 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.435 178.705 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 87' ' ' ARG . . . . . 0.711 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 14.1 ttt180 -58.7 -51.02 71.72 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.003 178.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 88' ' ' ALA . . . . . 0.721 ' HB3' ' O ' ' B' ' 84' ' ' ALA . . . -61.81 -45.55 93.35 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.954 179.57 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 89' ' ' VAL . . . . . 0.567 HG13 ' CD2' ' B' ' 117' ' ' PHE . 32.3 t -58.43 -56.08 18.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.053 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.91 -21.08 66.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.17 179.685 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 91' ' ' GLN . . . . . 0.511 ' HB3' ' HB3' ' A' ' 36' ' ' SER . 0.3 OUTLIER -67.24 -58.02 5.62 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-O 121.262 0.553 . . . . 0.0 110.314 -179.933 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 92' ' ' VAL . . . . . 1.065 HG11 HD22 ' A' ' 18' ' ' LEU . 6.4 t -68.25 -27.44 37.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.176 179.45 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 93' ' ' LEU . . . . . 0.703 HD11 ' HB2' ' B' ' 117' ' ' PHE . 0.7 OUTLIER -70.9 -28.94 64.9 Favored 'General case' 0 CA--C 1.528 0.1 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.199 179.85 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -84.82 -44.57 13.15 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.879 0.371 . . . . 0.0 111.232 -179.242 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 95' ' ' SER . . . . . 0.58 ' CB ' HD21 ' A' ' 33' ' ' LEU . 0.6 OUTLIER -80.5 -13.95 58.66 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.064 -0.516 . . . . 0.0 112.157 -179.243 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 96' ' ' LEU . . . . . 0.978 HD22 HD22 ' B' ' 110' ' ' LEU . 0.2 OUTLIER -38.78 -52.5 1.71 Allowed 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -179.331 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -70.77 -28.01 64.36 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.061 -179.224 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 98' ' ' GLU . . . . . 0.816 ' O ' ' HB3' ' B' ' 101' ' ' ALA . 0.1 OUTLIER -69.67 -34.15 73.58 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 177.78 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 99' ' ' ILE . . . . . 0.607 HG23 HG21 ' B' ' 103' ' ' THR . 61.6 mt -62.75 -49.53 83.32 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.911 0 CA-C-N 114.586 -1.188 . . . . 0.0 109.808 178.471 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 100' ' ' HIS . . . . . 0.922 ' HB2' HD11 ' B' ' 110' ' ' LEU . 0.3 OUTLIER -56.72 -32.43 65.51 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 178.077 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 101' ' ' ALA . . . . . 0.816 ' HB3' ' O ' ' B' ' 98' ' ' GLU . . . -58.3 -45.66 87.57 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.523 -1.217 . . . . 0.0 112.024 179.559 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 102' ' ' LEU . . . . . 0.662 HD12 HG23 ' B' ' 103' ' ' THR . 0.4 OUTLIER -116.68 26.03 10.14 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.696 -0.684 . . . . 0.0 112.707 -177.419 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 103' ' ' THR . . . . . 0.662 HG23 HD12 ' B' ' 102' ' ' LEU . 31.1 p -140.45 -30.46 0.66 Allowed 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 121.07 -0.252 . . . . 0.0 111.521 179.705 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 67.1 26.97 8.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.934 0.397 . . . . 0.0 110.516 -179.57 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 105' ' ' SER . . . . . 0.418 ' HB3' ' CE1' ' A' ' 21' ' ' TYR . 18.8 m -52.98 -77.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.683 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 6.5 t 167.32 105.16 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.366 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -47.45 -34.99 7.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.92 0.391 . . . . 0.0 110.515 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.08 -42.48 84.6 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.676 178.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 109' ' ' ASP . . . . . 0.637 ' O ' HD12 ' B' ' 113' ' ' LEU . 8.4 m-20 -64.13 -36.79 85.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.85 178.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 110' ' ' LEU . . . . . 0.978 HD22 HD22 ' B' ' 96' ' ' LEU . 33.5 mt -63.77 -37.84 88.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.854 179.123 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -62.76 -43.93 97.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.538 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 112' ' ' PHE . . . . . 0.651 ' O ' HG23 ' B' ' 116' ' ' VAL . 2.0 t80 -58.81 -47.27 85.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.191 179.499 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 113' ' ' LEU . . . . . 0.706 HD11 ' CD1' ' A' ' 17' ' ' LEU . 0.6 OUTLIER -70.07 -32.92 71.24 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.132 -0.485 . . . . 0.0 109.83 179.306 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 114' ' ' HIS . . . . . 0.69 ' O ' ' HG2' ' B' ' 118' ' ' GLN . 1.5 m-70 -53.86 -41.54 67.61 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 178.488 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 115' ' ' SER . . . . . 0.535 ' HA ' ' HG2' ' B' ' 118' ' ' GLN . 58.7 m -78.41 -33.9 48.37 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.34 179.117 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 116' ' ' VAL . . . . . 0.821 ' O ' HD22 ' B' ' 122' ' ' LEU . 52.0 t -56.11 -24.75 18.33 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.113 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 178.785 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 117' ' ' PHE . . . . . 0.703 ' HB2' HD11 ' B' ' 93' ' ' LEU . 0.6 OUTLIER -101.53 -26.75 13.44 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.49 179.926 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 118' ' ' GLN . . . . . 0.69 ' HG2' ' O ' ' B' ' 114' ' ' HIS . 12.2 mm100 -56.89 -44.43 82.28 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.086 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -37.32 125.77 1.02 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.17 -179.139 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.73 -46.17 63.53 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.472 179.634 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 121' ' ' HIS . . . . . 0.402 ' O ' ' HB ' ' B' ' 124' ' ' THR . 0.5 OUTLIER -55.79 -33.72 64.64 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.368 179.319 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 122' ' ' LEU . . . . . 0.821 HD22 ' O ' ' B' ' 116' ' ' VAL . 37.2 tp -55.7 -49.28 73.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.133 179.57 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 123' ' ' HIS . . . . . 0.574 ' HA ' ' CD1' ' B' ' 126' ' ' LEU . 0.0 OUTLIER -52.32 -28.5 19.47 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.102 0.477 . . . . 0.0 110.096 178.787 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 124' ' ' THR . . . . . 0.584 HG21 HG23 ' A' ' 61' ' ' VAL . 10.6 m -75.52 -32.15 60.39 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.793 179.208 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 125' ' ' LEU . . . . . 0.88 ' HA ' HD11 ' A' ' 52' ' ' LEU . 29.4 mt -64.92 -50.44 66.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.829 179.565 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 126' ' ' LEU . . . . . 0.927 ' HB2' ' HB1' ' B' ' 85' ' ' ALA . 1.0 OUTLIER -63.78 -41.85 97.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.064 -179.729 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -60.86 -51.21 70.26 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.902 0.382 . . . . 0.0 110.903 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 128' ' ' LEU . . . . . 0.942 HD21 ' CD2' ' C' ' 59' ' ' TYR . 48.2 mt -72.38 -29.95 64.24 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.512 179.639 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 129' ' ' TYR . . . . . 0.923 ' HA ' HD12 ' A' ' 48' ' ' LEU . 0.7 OUTLIER -55.73 -53.06 61.29 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.221 -179.371 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 130' ' ' ASP . . . . . 0.425 ' HB3' ' CD2' ' B' ' 82' ' ' LEU . 3.7 m-20 -77.91 -31.5 51.19 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.324 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.45 -49.38 70.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.77 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 132' ' ' ILE . . . . . 0.635 ' HB ' HD21 ' A' ' 48' ' ' LEU . 4.9 mt -78.15 -41.15 26.56 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 CA-C-O 121.003 0.43 . . . . 0.0 110.651 179.529 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 133' ' ' ASN . . . . . . . . . . . . . 44.9 t-20 -58.13 -25.68 61.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.937 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 134' ' ' THR . . . . . 0.507 HG22 ' O ' ' B' ' 134' ' ' THR . 95.7 m -83.4 0.32 46.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.195 179.764 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 135' ' ' LYS . . . . . 0.422 ' CB ' ' O ' ' B' ' 134' ' ' THR . 6.9 mttp 81.59 -14.19 0.82 Allowed 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.847 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 C--N 1.331 -0.213 0 CA-C-O 120.799 0.333 . . . . 0.0 111.18 179.959 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.95 -37.76 88.72 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 179.131 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -73.82 -30.97 62.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.841 178.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 10' ' ' ASP . . . . . 0.541 ' HB3' HG22 ' D' ' 116' ' ' VAL . 3.6 m-20 -78.53 -29.58 46.57 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.756 179.006 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 11' ' ' THR . . . . . 0.572 HG23 ' CD2' ' C' ' 44' ' ' PHE . 97.7 m -72.06 -49.6 35.21 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.427 179.575 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 12' ' ' GLN . . . . . 0.46 ' HA ' HD23 ' C' ' 15' ' ' LEU . 0.0 OUTLIER -67.28 -34.71 77.98 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.942 0.401 . . . . 0.0 110.049 179.431 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 13' ' ' ARG . . . . . 0.419 ' HG2' ' CE2' ' D' ' 112' ' ' PHE . 12.1 ttp180 -74.3 -25.46 59.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.869 179.054 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 14' ' ' ALA . . . . . 0.853 ' CB ' HG11 ' D' ' 116' ' ' VAL . . . -78.46 -54.96 5.6 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.625 178.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 15' ' ' LEU . . . . . 0.842 ' HA ' HD12 ' C' ' 18' ' ' LEU . 0.4 OUTLIER -61.93 -24.44 66.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.662 179.145 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 16' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -73.5 -47.87 37.73 Favored 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 178.707 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 17' ' ' LEU . . . . . 0.964 HD22 ' CE1' ' C' ' 21' ' ' TYR . 3.5 mt -61.76 -34.94 76.73 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.471 178.633 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 18' ' ' LEU . . . . . 0.916 ' CD2' HG11 ' D' ' 92' ' ' VAL . 63.3 mt -62.78 -47.58 82.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.715 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 19' ' ' GLU . . . . . 0.429 ' HG3' HD12 ' C' ' 41' ' ' ILE . 49.0 mt-10 -59.12 -40.25 84.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -74.79 -36.35 62.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.192 179.586 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 21' ' ' TYR . . . . . 0.964 ' CE1' HD22 ' C' ' 17' ' ' LEU . 10.6 m-30 -64.89 -46.83 80.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.521 179.741 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 22' ' ' ARG . . . . . 0.477 ' HA ' HD13 ' C' ' 37' ' ' ILE . 45.5 ptt85 -61.74 -44.9 96.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.6 179.758 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 23' ' ' SER . . . . . 0.415 ' N ' ' HG3' ' C' ' 22' ' ' ARG . 2.8 p -57.43 -34.71 69.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.689 179.7 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 24' ' ' LYS . . . . . 0.419 ' HG3' ' HB ' ' D' ' 103' ' ' THR . 5.1 ptmt -99.34 -7.65 25.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.586 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 25' ' ' LEU . . . . . 0.743 ' CD1' HD11 ' C' ' 37' ' ' ILE . 0.6 OUTLIER -82.46 -68.65 0.68 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.86 0.362 . . . . 0.0 110.927 -179.929 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 26' ' ' SER . . . . . 0.48 ' HB2' ' HB2' ' C' ' 34' ' ' ARG . 32.6 t -61.99 -150.99 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.719 -179.542 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 27' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 57.15 24.33 9.61 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 121.023 0.439 . . . . 0.0 110.106 -179.385 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 28' ' ' THR . . . . . 0.603 HG23 ' N ' ' C' ' 29' ' ' GLU . 7.7 t -150.35 -54.54 0.16 Allowed 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.706 -179.098 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 29' ' ' GLU . . . . . 0.603 ' N ' HG23 ' C' ' 28' ' ' THR . 12.5 pt-20 -175.81 28.11 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.573 -179.413 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 30' ' ' ASP . . . . . 0.51 ' CB ' HD22 ' C' ' 25' ' ' LEU . 1.7 m-20 -142.13 56.2 1.46 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.979 0.419 . . . . 0.0 111.035 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 -66.99 -53.05 35.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.11 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.17 -50.78 72.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.964 179.003 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 33' ' ' LEU . . . . . 0.593 HD11 ' CB ' ' D' ' 95' ' ' SER . 15.7 tp -53.42 -33.11 52.69 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.086 179.083 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 34' ' ' ARG . . . . . 0.693 ' HA ' HD12 ' C' ' 37' ' ' ILE . 6.4 ttp180 -60.4 -47.98 83.76 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.355 178.816 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 21.2 m -56.42 -34.8 67.12 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.458 179.05 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 36' ' ' SER . . . . . 0.494 ' O ' ' HG2' ' C' ' 39' ' ' ARG . 0.7 OUTLIER -64.66 -48.74 73.67 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 121.077 0.465 . . . . 0.0 110.481 179.583 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 37' ' ' ILE . . . . . 0.743 HD11 ' CD1' ' C' ' 25' ' ' LEU . 5.7 mt -60.97 -39.91 83.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.332 0.587 . . . . 0.0 109.584 178.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 38' ' ' GLU . . . . . 0.409 ' HA ' HG12 ' C' ' 41' ' ' ILE . 39.9 mt-10 -61.0 -51.23 70.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.897 -1.047 . . . . 0.0 111.833 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 39' ' ' ARG . . . . . 0.712 ' HG3' ' HB1' ' D' ' 88' ' ' ALA . 4.3 ptp85 -55.28 -41.46 72.31 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.581 -0.448 . . . . 0.0 110.118 -179.765 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 40' ' ' VAL . . . . . 0.431 ' O ' ' HB2' ' C' ' 44' ' ' PHE . 93.5 t -60.98 -36.99 76.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 178.344 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 41' ' ' ILE . . . . . 0.588 HD11 ' CB ' ' C' ' 18' ' ' LEU . 10.5 mm -58.53 -58.86 4.81 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.103 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.247 179.524 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 18.8 p -58.94 -46.58 87.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.899 0.38 . . . . 0.0 110.649 -179.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 43' ' ' ILE . . . . . 0.737 HG23 ' CE2' ' D' ' 129' ' ' TYR . 11.1 mt -59.79 -34.96 57.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.158 179.308 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 44' ' ' PHE . . . . . 0.659 ' HB3' HD22 ' C' ' 15' ' ' LEU . 1.5 m-85 -72.42 -55.56 6.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.091 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 45' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -77.23 -1.79 31.36 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 -178.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 46' ' ' SER . . . . . . . . . . . . . 1.4 t -54.73 131.66 44.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.811 0.338 . . . . 0.0 111.037 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -53.44 -32.74 51.2 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 48' ' ' LEU . . . . . 0.709 ' O ' ' HB3' ' C' ' 51' ' ' ALA . 0.2 OUTLIER -74.64 -48.52 25.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.773 179.435 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 49' ' ' PHE . . . . . 0.658 ' HZ ' HD11 ' D' ' 122' ' ' LEU . 47.1 t80 -50.46 -53.12 32.18 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.583 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 50' ' ' GLN . . . . . 0.441 HE21 ' HB3' ' C' ' 50' ' ' GLN . 2.1 mm100 -58.08 -24.74 59.74 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.054 0.454 . . . . 0.0 110.046 178.808 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 51' ' ' ALA . . . . . 0.709 ' HB3' ' O ' ' C' ' 48' ' ' LEU . . . -63.0 -53.56 52.01 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.929 179.761 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 52' ' ' LEU . . . . . 0.737 ' N ' HD13 ' C' ' 52' ' ' LEU . 0.0 OUTLIER -61.29 -44.03 97.9 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 120.236 -0.585 . . . . 0.0 110.365 179.824 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 53' ' ' ILE . . . . . 0.595 HG12 HD13 ' D' ' 125' ' ' LEU . 39.2 mt -51.49 -39.1 21.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-O 121.059 0.457 . . . . 0.0 110.306 179.481 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 54' ' ' ASP . . . . . 0.402 ' O ' ' CG ' ' C' ' 57' ' ' GLU . 3.3 t0 -73.46 -35.72 65.76 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.101 179.148 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 55' ' ' ILE . . . . . 0.637 HG22 ' HB2' ' C' ' 59' ' ' TYR . 41.5 mt -68.16 -32.33 55.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.862 179.618 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.38 -20.12 4.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.926 -179.772 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 57' ' ' GLU . . . . . 0.403 ' O ' ' CD1' ' C' ' 58' ' ' PHE . 0.2 OUTLIER -44.02 -46.64 8.48 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 111.712 0.264 . . . . 0.0 111.712 -179.618 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 58' ' ' PHE . . . . . 0.415 ' HB3' ' HG ' ' A' ' 64' ' ' LEU . 74.2 m-85 -152.55 40.02 0.58 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.683 0.277 . . . . 0.0 111.489 -179.609 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 59' ' ' TYR . . . . . 0.942 ' CD2' HD21 ' B' ' 128' ' ' LEU . 51.7 m-85 -134.13 80.53 1.87 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.735 179.64 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -71.96 104.14 3.43 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.629 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 61' ' ' VAL . . . . . 0.711 HG13 HG12 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -85.37 96.48 4.98 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 CA-C-O 120.909 0.385 . . . . 0.0 110.724 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 62' ' ' THR . . . . . 0.406 ' HB ' ' HB2' ' A' ' 60' ' ' GLU . 15.7 m -71.72 113.16 8.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.084 179.503 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 63' ' ' LEU . . . . . 0.868 HD11 ' CE2' ' A' ' 59' ' ' TYR . 3.5 mp -86.25 126.1 34.04 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 -179.66 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 64' ' ' LEU . . . . . 0.786 ' N ' HD23 ' C' ' 64' ' ' LEU . 0.1 OUTLIER -108.32 -23.5 11.88 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.476 179.728 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 65' ' ' ASP . . . . . 0.488 ' O ' ' ND2' ' C' ' 66' ' ' ASN . 29.0 t0 -118.08 -44.55 2.69 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.645 179.571 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 66' ' ' ASN . . . . . 0.524 ' HA ' HD23 ' C' ' 63' ' ' LEU . 5.7 m-80 . . . . . 0 N--CA 1.466 0.347 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.785 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 81' ' ' GLY . . . . . 0.43 ' C ' HD23 ' D' ' 82' ' ' LEU . . . . . . . . 0 N--CA 1.444 -0.778 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 82' ' ' LEU . . . . . 0.913 ' N ' HD23 ' D' ' 82' ' ' LEU . 0.3 OUTLIER -87.92 -24.96 23.46 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.847 0.356 . . . . 0.0 110.803 179.837 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 83' ' ' LEU . . . . . 0.986 HD23 ' H ' ' D' ' 84' ' ' ALA . 0.2 OUTLIER -67.37 -47.72 69.56 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.4 -179.662 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 84' ' ' ALA . . . . . 1.043 ' HB1' ' HB2' ' D' ' 88' ' ' ALA . . . -84.87 -17.37 38.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.54 -0.754 . . . . 0.0 111.51 -179.33 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 85' ' ' ALA . . . . . 0.839 ' O ' HD13 ' D' ' 126' ' ' LEU . . . -51.81 -24.52 6.17 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.345 -0.542 . . . . 0.0 109.749 179.283 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 86' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -126.88 -36.69 2.18 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.004 178.547 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 87' ' ' ARG . . . . . 0.751 ' HB3' ' O ' ' D' ' 83' ' ' LEU . 19.4 ttt85 -67.5 -41.53 84.34 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.577 179.479 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 88' ' ' ALA . . . . . 1.043 ' HB2' ' HB1' ' D' ' 84' ' ' ALA . . . -66.22 -43.02 87.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.445 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 89' ' ' VAL . . . . . 0.814 HG13 ' CD1' ' D' ' 117' ' ' PHE . 64.7 t -70.41 -46.46 70.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.099 179.018 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 90' ' ' SER . . . . . 0.422 ' HA ' ' HB2' ' D' ' 93' ' ' LEU . 37.9 t -65.41 -25.09 67.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.537 179.193 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 91' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -67.5 -56.91 7.66 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.64 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 92' ' ' VAL . . . . . 0.916 HG11 ' CD2' ' C' ' 18' ' ' LEU . 6.4 t -67.37 -28.1 41.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.016 179.089 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 93' ' ' LEU . . . . . 0.784 HD21 ' HA ' ' D' ' 114' ' ' HIS . 1.6 mt -64.29 -36.22 83.41 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.017 179.385 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -84.61 -35.11 22.93 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.865 0.364 . . . . 0.0 110.995 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 95' ' ' SER . . . . . 0.593 ' CB ' HD11 ' C' ' 33' ' ' LEU . 0.1 OUTLIER -80.24 -26.43 39.06 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.104 -0.498 . . . . 0.0 112.13 -179.335 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 96' ' ' LEU . . . . . 0.975 HD22 HD22 ' D' ' 110' ' ' LEU . 0.2 OUTLIER -34.71 -52.3 0.52 Allowed 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 112.581 0.585 . . . . 0.0 112.581 -178.806 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -69.86 -30.39 67.84 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.911 0.386 . . . . 0.0 111.007 -179.206 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 98' ' ' GLU . . . . . 0.813 ' OE2' HD21 ' D' ' 102' ' ' LEU . 0.0 OUTLIER -68.99 -33.96 74.52 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 177.546 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 99' ' ' ILE . . . . . 0.574 ' O ' HG23 ' D' ' 103' ' ' THR . 4.8 mt -61.57 -49.54 83.98 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.761 0 CA-C-N 114.47 -1.241 . . . . 0.0 110.079 178.554 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 100' ' ' HIS . . . . . 0.861 ' HB2' HD11 ' D' ' 110' ' ' LEU . 0.2 OUTLIER -57.68 -33.39 68.3 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 178.472 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 101' ' ' ALA . . . . . 0.788 ' HB3' ' O ' ' D' ' 98' ' ' GLU . . . -57.07 -45.26 83.43 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 114.529 -1.214 . . . . 0.0 111.962 179.47 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 102' ' ' LEU . . . . . 0.813 HD21 ' OE2' ' D' ' 98' ' ' GLU . 0.4 OUTLIER -117.74 30.96 6.97 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.617 -0.72 . . . . 0.0 112.671 -177.423 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 103' ' ' THR . . . . . 0.692 HG23 HD12 ' D' ' 102' ' ' LEU . 31.2 p -145.83 -34.02 0.32 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.638 0.256 . . . . 0.0 111.393 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 70.9 27.2 3.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.783 0.325 . . . . 0.0 110.402 -179.537 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 105' ' ' SER . . . . . . . . . . . . . 11.3 m -53.8 -76.88 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.733 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 106' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 166.84 103.91 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.424 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -47.34 -30.87 3.46 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.862 0.363 . . . . 0.0 110.535 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 11.4 mmtm -69.0 -44.7 72.27 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 178.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 109' ' ' ASP . . . . . 0.603 ' O ' HD12 ' D' ' 113' ' ' LEU . 1.2 m-20 -64.52 -36.06 82.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.678 178.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 110' ' ' LEU . . . . . 0.975 HD22 HD22 ' D' ' 96' ' ' LEU . 27.1 mt -62.08 -39.9 93.98 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.003 179.146 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 111' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.16 -41.43 97.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.472 179.672 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 112' ' ' PHE . . . . . 0.437 ' O ' HG23 ' D' ' 116' ' ' VAL . 2.0 t80 -58.56 -42.53 88.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.211 179.508 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 113' ' ' LEU . . . . . 0.703 HD11 ' CD1' ' C' ' 17' ' ' LEU . 0.5 OUTLIER -72.82 -32.87 65.82 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.57 179.821 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 114' ' ' HIS . . . . . 0.93 ' CD2' HD12 ' D' ' 96' ' ' LEU . 41.2 m170 -58.12 -34.98 70.82 Favored 'General case' 0 CA--C 1.516 -0.331 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 178.169 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 115' ' ' SER . . . . . 0.403 ' HA ' ' HB2' ' D' ' 118' ' ' GLN . 65.9 m -74.28 -38.56 63.36 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.215 178.734 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 116' ' ' VAL . . . . . 0.853 HG11 ' CB ' ' C' ' 14' ' ' ALA . 54.2 t -60.6 -23.7 29.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.965 178.473 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 117' ' ' PHE . . . . . 0.814 ' CD1' HG13 ' D' ' 89' ' ' VAL . 28.8 m-85 -103.37 -30.43 10.6 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.197 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 118' ' ' GLN . . . . . 0.66 HE22 ' HB3' ' D' ' 114' ' ' HIS . 0.0 OUTLIER -63.57 -32.08 73.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.447 -179.12 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 119' ' ' ASP . . . . . 0.4 ' HB3' ' HB2' ' D' ' 122' ' ' LEU . 1.1 t70 -43.89 122.69 2.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.578 -179.494 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 120' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.23 -47.57 79.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.92 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 121' ' ' HIS . . . . . 0.416 ' O ' ' HB ' ' D' ' 124' ' ' THR . 10.4 m170 -55.2 -33.2 62.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.669 179.771 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 122' ' ' LEU . . . . . 0.839 HD22 ' O ' ' D' ' 116' ' ' VAL . 51.1 tp -55.68 -44.7 77.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.92 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 123' ' ' HIS . . . . . 1.045 ' HA ' HD12 ' D' ' 126' ' ' LEU . 0.0 OUTLIER -59.79 -23.31 63.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.951 0.405 . . . . 0.0 110.025 179.362 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 124' ' ' THR . . . . . 0.667 HG21 ' CG2' ' C' ' 61' ' ' VAL . 19.4 m -77.8 -34.73 52.04 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.822 -0.627 . . . . 0.0 109.694 178.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 125' ' ' LEU . . . . . 0.818 HD12 HD12 ' D' ' 122' ' ' LEU . 9.5 mt -69.58 -40.68 76.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.194 178.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 126' ' ' LEU . . . . . 1.045 HD12 ' HA ' ' D' ' 123' ' ' HIS . 1.2 mt -65.48 -45.9 81.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.09 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 127' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -65.68 -41.77 92.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.889 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 128' ' ' LEU . . . . . 0.942 HD21 ' CD2' ' A' ' 59' ' ' TYR . 20.2 mt -75.31 -30.72 60.43 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 129' ' ' TYR . . . . . 0.737 ' CE2' HG23 ' C' ' 43' ' ' ILE . 0.1 OUTLIER -62.62 -53.56 52.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.358 -179.049 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 130' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -77.53 -31.46 53.4 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.826 -179.176 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 131' ' ' LYS . . . . . 0.829 ' O ' HG22 ' D' ' 134' ' ' THR . 0.0 OUTLIER -60.31 -41.3 93.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.656 0.265 . . . . 0.0 110.849 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 132' ' ' ILE . . . . . 0.612 HG12 HD11 ' A' ' 55' ' ' ILE . 8.0 mt -81.54 -43.31 20.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.04 0.448 . . . . 0.0 110.393 179.437 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 133' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -55.14 -24.64 27.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.708 179.549 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 134' ' ' THR . . . . . 0.829 HG22 ' O ' ' D' ' 131' ' ' LYS . 1.3 t -71.46 -6.94 44.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.052 179.721 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 135' ' ' LYS . . . . . 0.468 ' CB ' ' O ' ' D' ' 134' ' ' THR . 1.8 mttm 89.57 -23.01 0.1 Allowed 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 122.783 0.433 . . . . 0.0 111.691 179.694 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 136' ' ' SER . . . . . 0.538 ' H ' HG23 ' D' ' 134' ' ' THR . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.351 0 CA-C-O 120.818 0.342 . . . . 0.0 110.983 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.62 -38.88 90.69 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 121.183 0.516 . . . . 0.0 109.692 179.117 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 19.5 mm100 -77.82 -26.85 49.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.437 -0.802 . . . . 0.0 109.964 178.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.58 ' HB3' HG22 ' B' ' 116' ' ' VAL . 9.4 m-20 -80.49 -31.23 37.31 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.367 179.769 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.548 HG22 ' HE1' ' A' ' 44' ' ' PHE . 3.3 p -75.04 -41.23 59.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.317 179.604 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.49 ' HA ' HD23 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -70.97 -38.79 72.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.411 179.512 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.2 ttt85 -74.64 -24.67 58.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.971 179.032 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.923 ' CB ' HG11 ' B' ' 116' ' ' VAL . . . -78.68 -51.32 10.02 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.723 179.1 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.817 ' O ' HD12 ' A' ' 41' ' ' ILE . 0.4 OUTLIER -64.57 -28.58 69.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.868 179.604 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -73.63 -46.53 46.25 Favored 'General case' 0 CA--C 1.519 -0.233 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 179.018 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.738 ' CD1' HD11 ' B' ' 113' ' ' LEU . 1.1 mt -59.86 -43.06 94.87 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.857 179.082 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.704 HD22 HG11 ' B' ' 92' ' ' VAL . 20.3 mt -60.34 -42.0 94.76 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.649 179.708 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.534 ' HG3' HG21 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -58.74 -42.36 88.64 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.074 0.464 . . . . 0.0 110.497 179.739 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.28 -33.24 69.56 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.657 179.294 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.694 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 15.0 m-30 -66.43 -47.97 71.53 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.714 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.585 ' HA ' HD13 ' A' ' 37' ' ' ILE . 3.3 ptm180 -58.74 -44.4 90.48 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 120.824 0.345 . . . . 0.0 110.706 179.734 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.44 -37.35 75.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.538 179.512 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.5 ptmt -100.29 5.54 44.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.374 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.816 ' CD1' HD11 ' A' ' 37' ' ' ILE . 0.4 OUTLIER -94.29 -68.01 0.82 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.841 0.353 . . . . 0.0 111.343 -179.484 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.481 ' HB2' ' HB2' ' A' ' 34' ' ' ARG . 37.4 t -63.55 -149.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.736 -179.276 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 55.24 24.96 6.84 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 121.142 0.496 . . . . 0.0 110.065 -179.18 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.612 HG23 ' N ' ' A' ' 29' ' ' GLU . 6.6 t -149.13 -56.69 0.2 Allowed 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.729 -179.375 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.612 ' N ' HG23 ' A' ' 28' ' ' THR . 17.2 pt-20 -178.11 28.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.586 -179.331 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.462 ' CG ' HD23 ' A' ' 33' ' ' LEU . 0.7 OUTLIER -141.8 46.81 1.66 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.03 0.443 . . . . 0.0 111.175 -179.603 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.71 -55.34 35.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.421 0.629 . . . . 0.0 110.209 179.674 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.94 -47.63 74.22 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.488 178.656 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.578 HD11 ' CB ' ' B' ' 95' ' ' SER . 15.9 tp -54.72 -32.31 59.45 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.676 178.414 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.764 ' HA ' HD12 ' A' ' 37' ' ' ILE . 1.8 ttp180 -60.97 -44.43 97.36 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 178.383 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.4 -37.61 72.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.102 -0.953 . . . . 0.0 110.369 178.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.487 ' HB2' HE21 ' B' ' 91' ' ' GLN . 25.1 p -60.19 -51.59 68.91 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.11 0.481 . . . . 0.0 110.308 179.536 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.816 HD11 ' CD1' ' A' ' 25' ' ' LEU . 5.4 mt -56.19 -43.66 76.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.209 179.293 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -54.68 -44.39 73.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.839 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.456 ' HB3' ' HB1' ' B' ' 88' ' ' ALA . 18.1 mtt180 -56.53 -49.77 73.8 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.232 0.539 . . . . 0.0 110.009 179.415 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.707 HG12 ' CD2' ' A' ' 44' ' ' PHE . 24.9 t -60.55 -34.71 59.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.66 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.817 HD12 ' O ' ' A' ' 15' ' ' LEU . 7.8 mm -69.69 -53.65 23.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.478 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.4 t -62.3 -48.95 77.61 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-O 120.899 0.38 . . . . 0.0 110.851 -179.115 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.744 HG23 ' CE2' ' B' ' 129' ' ' TYR . 8.8 mt -59.79 -32.76 50.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.333 179.593 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.724 ' HB3' HD22 ' A' ' 15' ' ' LEU . 0.4 OUTLIER -72.24 -55.52 7.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.069 -0.514 . . . . 0.0 112.072 179.862 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.445 ' HG2' ' O ' ' A' ' 41' ' ' ILE . 18.5 pt20 -79.35 -0.03 30.96 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.284 0.476 . . . . 0.0 112.284 -178.445 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.408 ' OG ' ' CE1' ' B' ' 129' ' ' TYR . 1.2 t -53.56 128.92 30.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.757 0.313 . . . . 0.0 110.966 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.824 HD22 ' C ' ' D' ' 136' ' ' SER . 42.8 t30 -49.85 -31.29 11.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.617 HD13 ' O ' ' A' ' 48' ' ' LEU . 0.3 OUTLIER -76.9 -48.42 18.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.073 179.674 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.924 ' CE2' HD11 ' A' ' 53' ' ' ILE . 55.3 t80 -51.02 -48.89 61.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.346 -179.612 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -56.63 -44.26 81.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.827 0.346 . . . . 0.0 110.921 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.537 ' HB2' ' HG2' ' D' ' 135' ' ' LYS . . . -58.74 -44.45 90.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.605 179.759 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.535 HD12 ' CD1' ' A' ' 48' ' ' LEU . 0.5 OUTLIER -61.49 -45.35 94.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.289 179.473 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.924 HD11 ' CE2' ' A' ' 49' ' ' PHE . 47.8 mt -54.5 -37.22 37.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.405 179.326 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.407 ' O ' ' CG ' ' A' ' 57' ' ' GLU . 14.2 t0 -63.65 -50.12 70.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.435 179.591 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.724 HG22 ' HB2' ' A' ' 59' ' ' TYR . 67.0 mt -53.0 -34.24 20.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.091 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.731 ' NE2' HD21 ' B' ' 125' ' ' LEU . 0.0 OUTLIER -53.22 -20.62 4.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.762 -179.763 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.417 ' O ' ' CD1' ' A' ' 58' ' ' PHE . 0.2 OUTLIER -45.13 -47.28 12.19 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 111.743 0.275 . . . . 0.0 111.743 -179.59 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.474 ' CB ' ' HB2' ' C' ' 65' ' ' ASP . 73.7 m-85 -152.85 39.54 0.54 Allowed 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 121.038 -0.265 . . . . 0.0 111.713 -179.299 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.809 ' CD2' HD21 ' D' ' 128' ' ' LEU . 22.2 m-85 -134.08 71.33 1.45 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.841 0.353 . . . . 0.0 110.891 179.66 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -60.63 105.24 0.42 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.791 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.601 ' CG2' HG21 ' B' ' 124' ' ' THR . 0.0 OUTLIER -85.43 96.98 5.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.992 179.836 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.412 ' HB ' ' HB2' ' C' ' 60' ' ' GLU . 76.2 m -71.44 122.78 21.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.569 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.892 HD11 ' CE2' ' C' ' 59' ' ' TYR . 1.2 mp -95.23 119.78 34.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.839 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.729 HD23 ' N ' ' A' ' 64' ' ' LEU . 0.1 OUTLIER -108.4 -22.23 12.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.639 179.828 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.416 ' HB2' ' CB ' ' C' ' 58' ' ' PHE . 0.7 OUTLIER -89.9 -11.69 41.09 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.067 179.543 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.816 ' HB3' HD23 ' A' ' 63' ' ' LEU . 12.4 p-10 . . . . . 0 C--N 1.333 -0.137 0 CA-C-O 120.805 0.336 . . . . 0.0 111.149 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 81' ' ' GLY . . . . . 0.444 ' C ' HD23 ' B' ' 82' ' ' LEU . . . . . . . . 0 N--CA 1.446 -0.637 0 N-CA-C 111.374 -0.69 . . . . 0.0 111.374 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.912 HD23 ' N ' ' B' ' 82' ' ' LEU . 0.2 OUTLIER -89.22 -22.35 22.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.813 0.339 . . . . 0.0 110.657 179.85 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 83' ' ' LEU . . . . . 0.907 HD23 ' H ' ' B' ' 84' ' ' ALA . 0.3 OUTLIER -67.63 -41.36 84.05 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.94 -179.342 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.907 ' H ' HD23 ' B' ' 83' ' ' LEU . . . -93.4 -19.76 20.99 Favored 'General case' 0 C--N 1.328 -0.35 0 O-C-N 123.793 0.683 . . . . 0.0 112.312 -178.44 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 85' ' ' ALA . . . . . 0.862 ' HB1' ' HB2' ' B' ' 126' ' ' LEU . . . -51.81 -26.24 9.4 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.472 -179.391 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 86' ' ' GLU . . . . . 0.431 ' HG3' ' CE1' ' B' ' 123' ' ' HIS . 4.4 tt0 -120.89 -41.71 2.54 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.432 178.449 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 87' ' ' ARG . . . . . 0.809 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 38.8 ttt180 -60.09 -56.64 19.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.061 -0.972 . . . . 0.0 110.188 178.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 88' ' ' ALA . . . . . 0.877 ' HB2' ' HB1' ' B' ' 84' ' ' ALA . . . -57.35 -38.24 73.85 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.633 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 89' ' ' VAL . . . . . 0.462 ' CG1' ' HB3' ' B' ' 117' ' ' PHE . 25.0 t -68.12 -42.47 85.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.331 179.094 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 90' ' ' SER . . . . . 0.449 ' HA ' ' HB2' ' B' ' 93' ' ' LEU . 35.5 t -75.04 -23.7 58.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.837 179.713 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 91' ' ' GLN . . . . . 0.487 HE21 ' HB2' ' A' ' 36' ' ' SER . 17.4 mt-30 -66.52 -57.68 6.8 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 121.282 0.563 . . . . 0.0 109.844 179.561 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 92' ' ' VAL . . . . . 0.704 HG11 HD22 ' A' ' 18' ' ' LEU . 10.2 t -67.84 -28.11 40.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.034 179.286 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 93' ' ' LEU . . . . . 0.665 HD21 ' HA ' ' B' ' 114' ' ' HIS . 5.8 mt -68.36 -29.68 68.46 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.99 179.648 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -85.12 -40.61 16.56 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.945 0.402 . . . . 0.0 111.102 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 95' ' ' SER . . . . . 0.578 ' CB ' HD11 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -80.0 -15.18 57.76 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.995 -179.441 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 96' ' ' LEU . . . . . 0.812 HD13 ' HB3' ' B' ' 110' ' ' LEU . 0.1 OUTLIER -38.87 -52.51 1.75 Allowed 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -179.316 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -70.09 -30.0 67.12 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.967 -179.232 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 98' ' ' GLU . . . . . 0.805 ' O ' ' HB3' ' B' ' 101' ' ' ALA . 0.0 OUTLIER -69.56 -32.86 71.9 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 177.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 99' ' ' ILE . . . . . 0.518 HG12 ' CD1' ' A' ' 25' ' ' LEU . 48.3 mt -63.4 -49.51 82.51 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.859 0 CA-C-N 114.64 -1.164 . . . . 0.0 109.883 178.691 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 100' ' ' HIS . . . . . 0.93 ' HB2' HD11 ' B' ' 110' ' ' LEU . 0.1 OUTLIER -56.61 -33.75 66.55 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 178.046 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 101' ' ' ALA . . . . . 0.805 ' HB3' ' O ' ' B' ' 98' ' ' GLU . . . -55.71 -45.97 77.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.488 -1.233 . . . . 0.0 111.411 179.201 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 102' ' ' LEU . . . . . 0.637 HD12 HG23 ' B' ' 103' ' ' THR . 0.4 OUTLIER -118.01 35.97 4.52 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.543 -0.753 . . . . 0.0 112.598 -177.739 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 103' ' ' THR . . . . . 0.637 HG23 HD12 ' B' ' 102' ' ' LEU . 38.0 p -152.69 -32.94 0.13 Allowed 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.87 -0.332 . . . . 0.0 111.62 179.636 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 7.9 t70 73.87 25.38 1.94 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.051 0.453 . . . . 0.0 110.652 -179.401 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 105' ' ' SER . . . . . 0.443 ' HB3' ' CZ ' ' A' ' 21' ' ' TYR . 29.5 m -60.37 -17.2 41.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.165 179.727 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 106' ' ' SER . . . . . 0.413 ' CB ' ' O ' ' B' ' 105' ' ' SER . 4.2 t 80.6 122.85 0.05 OUTLIER 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 120.912 0.387 . . . . 0.0 110.777 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 107' ' ' GLU . . . . . 0.615 ' HA ' HD12 ' B' ' 110' ' ' LEU . 0.9 OUTLIER -52.75 -26.3 13.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.035 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.18 -54.6 44.96 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.175 0.512 . . . . 0.0 110.081 179.496 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 109' ' ' ASP . . . . . 0.652 ' O ' HD12 ' B' ' 113' ' ' LEU . 11.1 m-20 -62.43 -41.75 98.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.868 179.051 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 110' ' ' LEU . . . . . 0.93 HD11 ' HB2' ' B' ' 100' ' ' HIS . 70.0 mt -59.97 -36.72 77.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.039 179.063 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 111' ' ' ASP . . . . . 0.601 ' HA ' ' CD2' ' B' ' 114' ' ' HIS . 6.7 m-20 -61.88 -48.87 78.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.874 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 112' ' ' PHE . . . . . 0.801 ' O ' HG23 ' B' ' 116' ' ' VAL . 1.6 t80 -58.89 -36.97 75.56 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.78 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 113' ' ' LEU . . . . . 0.738 HD11 ' CD1' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -76.62 -32.77 58.26 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.253 -179.713 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 114' ' ' HIS . . . . . 0.665 ' HA ' HD21 ' B' ' 93' ' ' LEU . 0.0 OUTLIER -61.73 -35.04 76.91 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 178.378 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -74.02 -36.77 64.48 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 178.096 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 116' ' ' VAL . . . . . 0.923 HG11 ' CB ' ' A' ' 14' ' ' ALA . 69.3 t -63.44 -23.19 32.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.708 178.346 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 117' ' ' PHE . . . . . 0.677 ' CZ ' HD11 ' A' ' 18' ' ' LEU . 4.0 m-30 -107.39 -14.89 14.76 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.605 -179.626 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 118' ' ' GLN . . . . . 0.403 ' HB2' ' O ' ' B' ' 114' ' ' HIS . 0.0 OUTLIER -81.61 -31.88 32.26 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.676 0.274 . . . . 0.0 111.596 -179.453 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -41.56 133.76 2.54 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.959 -179.215 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -72.04 -47.06 54.46 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.649 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 121' ' ' HIS . . . . . 0.439 ' CE1' ' HG2' ' A' ' 56' ' ' GLN . 1.8 t-80 -55.78 -33.68 64.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.223 179.383 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 122' ' ' LEU . . . . . 0.806 HD22 ' O ' ' B' ' 116' ' ' VAL . 50.1 tp -55.59 -47.81 75.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.898 179.508 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 123' ' ' HIS . . . . . 0.812 ' HA ' HD12 ' B' ' 126' ' ' LEU . 50.5 m-70 -52.74 -27.9 19.8 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.041 178.774 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 124' ' ' THR . . . . . 0.617 HG22 HD11 ' B' ' 128' ' ' LEU . 5.0 m -76.52 -32.85 58.51 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.95 179.366 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 125' ' ' LEU . . . . . 0.784 HD12 HD12 ' B' ' 122' ' ' LEU . 20.1 mt -66.64 -41.59 88.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.179 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 126' ' ' LEU . . . . . 0.862 ' HB2' ' HB1' ' B' ' 85' ' ' ALA . 0.3 OUTLIER -72.98 -41.72 64.05 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.755 0.312 . . . . 0.0 111.021 -179.851 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.11 -46.3 90.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.222 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 128' ' ' LEU . . . . . 0.977 HD21 ' CD2' ' C' ' 59' ' ' TYR . 9.1 mt -77.08 -32.34 56.67 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.694 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 129' ' ' TYR . . . . . 0.744 ' CE2' HG23 ' A' ' 43' ' ' ILE . 0.1 OUTLIER -56.49 -53.13 61.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.932 -179.501 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 130' ' ' ASP . . . . . 0.546 ' HB2' HD22 ' B' ' 82' ' ' LEU . 17.6 m-20 -77.21 -34.96 56.04 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.301 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -56.71 -45.76 81.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.914 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 132' ' ' ILE . . . . . 0.502 HD12 ' O ' ' B' ' 128' ' ' LEU . 5.4 mt -76.89 -39.12 29.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.876 0.37 . . . . 0.0 110.713 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 133' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -60.38 -28.44 68.21 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.911 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 89.5 m -87.27 -49.31 7.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.174 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.65 -35.16 75.52 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.985 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 84.2 p . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.801 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 7' ' ' ARG . . . . . 0.651 ' NH2' HD13 ' D' ' 122' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.23 -40.18 93.07 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 121.205 0.526 . . . . 0.0 109.794 179.039 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 53.8 mm-40 -73.93 -32.29 63.45 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.987 179.311 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 10' ' ' ASP . . . . . 0.747 ' HB3' HG22 ' D' ' 116' ' ' VAL . 95.6 m-20 -75.61 -29.49 59.24 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.114 179.288 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 11' ' ' THR . . . . . 0.565 HG23 ' CD2' ' C' ' 44' ' ' PHE . 63.0 m -69.82 -49.58 51.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.71 179.724 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 12' ' ' GLN . . . . . 0.404 ' O ' ' CG ' ' C' ' 16' ' ' HIS . 0.8 OUTLIER -66.71 -37.08 83.97 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.909 -0.317 . . . . 0.0 110.365 179.877 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 9.1 ttt85 -73.86 -24.68 59.78 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.118 179.096 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 14' ' ' ALA . . . . . 0.868 ' CB ' HG11 ' D' ' 116' ' ' VAL . . . -78.7 -55.12 5.42 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 116.086 -0.507 . . . . 0.0 109.749 178.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 15' ' ' LEU . . . . . 0.729 ' O ' HD12 ' C' ' 41' ' ' ILE . 0.4 OUTLIER -63.6 -24.74 67.92 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.955 179.256 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 16' ' ' HIS . . . . . 0.404 ' CG ' ' O ' ' C' ' 12' ' ' GLN . 9.3 m170 -73.23 -48.79 32.05 Favored 'General case' 0 CA--C 1.518 -0.251 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 178.813 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 17' ' ' LEU . . . . . 0.858 HD22 ' CZ ' ' C' ' 21' ' ' TYR . 2.1 mt -60.2 -37.96 81.85 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.419 -0.809 . . . . 0.0 109.383 178.657 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 18' ' ' LEU . . . . . 0.763 ' HB3' HD11 ' C' ' 41' ' ' ILE . 11.8 mt -65.86 -41.0 92.22 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.315 179.389 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -57.89 -39.49 77.98 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.75 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -73.7 -37.03 65.31 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.147 179.563 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 21' ' ' TYR . . . . . 0.858 ' CZ ' HD22 ' C' ' 17' ' ' LEU . 22.9 m-85 -65.14 -46.62 80.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.835 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 22' ' ' ARG . . . . . 0.481 ' HB2' ' HG3' ' C' ' 34' ' ' ARG . 1.0 OUTLIER -59.38 -49.36 78.1 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.782 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 23' ' ' SER . . . . . 0.441 ' N ' ' HG3' ' C' ' 22' ' ' ARG . 0.3 OUTLIER -58.19 -32.85 68.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.26 179.893 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 24' ' ' LYS . . . . . . . . . . . . . 7.0 ptmt -101.65 5.13 41.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.426 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 25' ' ' LEU . . . . . 0.954 HD11 HG12 ' D' ' 99' ' ' ILE . 3.8 mt -92.77 -62.91 1.29 Allowed 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -179.291 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 26' ' ' SER . . . . . 0.668 ' HB2' ' HD2' ' C' ' 31' ' ' ARG . 52.6 p -57.76 -18.38 21.2 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.142 -0.481 . . . . 0.0 112.044 -178.781 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 27' ' ' GLN . . . . . 0.441 ' OE1' ' OG ' ' C' ' 26' ' ' SER . 1.1 mm100 -78.76 50.08 0.96 Allowed 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.536 -179.119 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 28' ' ' THR . . . . . 0.484 ' CG2' ' N ' ' C' ' 29' ' ' GLU . 0.7 OUTLIER -177.28 -54.47 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.627 0.251 . . . . 0.0 111.326 179.249 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 29' ' ' GLU . . . . . 0.484 ' N ' ' CG2' ' C' ' 28' ' ' THR . 6.3 pt-20 179.15 27.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.329 -179.743 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 30' ' ' ASP . . . . . 0.449 ' CG ' HD22 ' C' ' 25' ' ' LEU . 1.8 m-20 -126.11 36.19 4.55 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.79 -179.736 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 31' ' ' ARG . . . . . 0.668 ' HD2' ' HB2' ' C' ' 26' ' ' SER . 25.3 mmm180 -55.08 -51.55 66.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.265 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 21.8 tp60 -61.67 -47.3 85.97 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.864 178.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 33' ' ' LEU . . . . . 0.521 HD11 ' CB ' ' D' ' 95' ' ' SER . 12.2 tp -56.05 -37.05 68.73 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.464 179.208 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 34' ' ' ARG . . . . . 0.621 ' HB2' ' HB3' ' C' ' 26' ' ' SER . 16.5 ttt180 -60.91 -40.23 92.35 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 178.859 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 5.2 m -58.25 -40.15 81.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.228 178.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 36' ' ' SER . . . . . 0.771 ' OG ' HG22 ' D' ' 92' ' ' VAL . 36.8 p -66.24 -48.76 69.48 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.221 0.534 . . . . 0.0 110.283 179.367 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 37' ' ' ILE . . . . . 0.782 ' CD1' HD12 ' C' ' 25' ' ' LEU . 7.2 mt -58.82 -36.97 63.76 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.88 179.235 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -59.77 -52.68 64.43 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.062 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 39' ' ' ARG . . . . . 0.664 ' HG3' ' HB1' ' D' ' 88' ' ' ALA . 3.6 ptp85 -56.4 -31.9 64.32 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 179.399 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 40' ' ' VAL . . . . . 0.747 HG23 ' O ' ' C' ' 36' ' ' SER . 17.9 t -70.45 -35.6 62.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.991 178.27 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 41' ' ' ILE . . . . . 0.763 HD11 ' HB3' ' C' ' 18' ' ' LEU . 9.8 mm -69.04 -55.53 15.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.615 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 17.7 p -61.43 -48.35 81.59 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 120.931 0.396 . . . . 0.0 110.83 -179.279 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 43' ' ' ILE . . . . . 0.894 HG23 ' CE2' ' D' ' 129' ' ' TYR . 17.3 mt -59.76 -33.1 51.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.239 179.417 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 44' ' ' PHE . . . . . 0.689 ' HB3' HD22 ' C' ' 15' ' ' LEU . 1.8 m-85 -72.46 -57.66 4.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.699 179.451 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 45' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -78.05 -2.93 39.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.772 -178.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 46' ' ' SER . . . . . 0.486 ' CB ' ' CE1' ' D' ' 129' ' ' TYR . 1.2 m -47.89 127.58 12.2 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.799 0.333 . . . . 0.0 110.813 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -47.82 -34.35 8.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.239 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 48' ' ' LEU . . . . . 0.823 ' O ' HD12 ' C' ' 48' ' ' LEU . 1.7 tp -79.89 -43.69 21.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.092 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 49' ' ' PHE . . . . . 0.589 ' CE2' HD11 ' C' ' 53' ' ' ILE . 50.6 t80 -51.16 -56.29 13.52 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.588 0.232 . . . . 0.0 111.246 -179.669 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -55.97 -34.74 66.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.955 0.407 . . . . 0.0 110.472 179.645 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 51' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' C' ' 48' ' ' LEU . . . -59.15 -47.84 83.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.551 179.504 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 52' ' ' LEU . . . . . 0.505 HD13 ' O ' ' D' ' 125' ' ' LEU . 1.2 mt -59.67 -44.28 93.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.429 179.536 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 53' ' ' ILE . . . . . 0.596 HG12 HD13 ' D' ' 125' ' ' LEU . 37.3 mt -52.66 -43.15 43.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.69 179.531 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.52 -33.87 75.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.312 179.463 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 55' ' ' ILE . . . . . 0.659 HG22 ' HB2' ' C' ' 59' ' ' TYR . 73.1 mt -66.63 -43.49 90.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.809 179.611 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.04 -22.8 6.36 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.692 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 57' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -49.61 -32.51 13.02 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.58 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 58' ' ' PHE . . . . . 0.428 ' HA ' ' HG ' ' A' ' 64' ' ' LEU . 96.9 m-85 -155.05 25.08 0.43 Allowed 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.033 0.382 . . . . 0.0 112.033 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 59' ' ' TYR . . . . . 0.977 ' CD2' HD21 ' B' ' 128' ' ' LEU . 14.1 m-85 -132.21 70.96 1.46 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.316 -0.402 . . . . 0.0 109.967 179.254 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 60' ' ' GLU . . . . . 0.412 ' HB2' ' HB ' ' A' ' 62' ' ' THR . 1.7 mt-10 -59.17 96.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.083 -179.203 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 61' ' ' VAL . . . . . 0.503 HG23 HG21 ' D' ' 124' ' ' THR . 0.0 OUTLIER -72.76 96.73 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.951 0.405 . . . . 0.0 110.593 179.62 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 62' ' ' THR . . . . . . . . . . . . . 17.8 m -84.64 117.35 23.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.909 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 63' ' ' LEU . . . . . 0.624 HD11 ' CZ ' ' A' ' 59' ' ' TYR . 0.1 OUTLIER -90.82 130.69 36.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.413 179.618 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 64' ' ' LEU . . . . . 0.698 ' N ' HD23 ' C' ' 64' ' ' LEU . 0.1 OUTLIER -115.46 -23.41 8.84 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.554 -179.609 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 65' ' ' ASP . . . . . 0.474 ' HB2' ' CB ' ' A' ' 58' ' ' PHE . 0.4 OUTLIER -86.84 -32.11 20.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.896 0.379 . . . . 0.0 110.776 179.845 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 66' ' ' ASN . . . . . 0.476 ' H ' HD23 ' C' ' 63' ' ' LEU . 1.3 m-20 . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 121.343 0.592 . . . . 0.0 110.576 -179.63 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.746 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 82' ' ' LEU . . . . . 0.859 ' N ' HD23 ' D' ' 82' ' ' LEU . 0.3 OUTLIER -75.55 -33.43 60.65 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 121.076 0.465 . . . . 0.0 110.222 179.441 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 83' ' ' LEU . . . . . 1.067 HD23 ' H ' ' D' ' 84' ' ' ALA . 0.2 OUTLIER -60.02 -50.4 73.89 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.65 -179.604 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 84' ' ' ALA . . . . . 1.067 ' H ' HD23 ' D' ' 83' ' ' LEU . . . -73.83 -22.41 59.79 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.171 -179.429 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 85' ' ' ALA . . . . . 0.869 ' O ' HD13 ' D' ' 126' ' ' LEU . . . -52.05 -26.63 11.35 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 179.105 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 86' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -125.41 -39.61 2.17 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.009 178.629 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 87' ' ' ARG . . . . . 0.73 ' HB3' ' O ' ' D' ' 83' ' ' LEU . 9.4 ttt-85 -64.52 -38.65 91.77 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.767 179.355 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 88' ' ' ALA . . . . . 0.851 ' HB2' ' HB1' ' D' ' 84' ' ' ALA . . . -69.89 -46.52 65.29 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.139 -179.614 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 89' ' ' VAL . . . . . 0.822 HG12 ' HB3' ' D' ' 117' ' ' PHE . 21.2 t -74.8 -31.93 27.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.099 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 90' ' ' SER . . . . . 0.486 ' HA ' ' HB2' ' D' ' 93' ' ' LEU . 72.2 m -76.12 -43.82 41.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.106 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 91' ' ' GLN . . . . . 0.423 ' CD ' ' HB2' ' C' ' 36' ' ' SER . 7.6 pt20 -62.18 -49.38 76.04 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-O 121.309 0.576 . . . . 0.0 109.618 179.695 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 92' ' ' VAL . . . . . 0.771 HG22 ' OG ' ' C' ' 36' ' ' SER . 75.8 t -66.05 -27.75 41.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.274 177.727 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 93' ' ' LEU . . . . . 0.772 HD21 ' HA ' ' D' ' 114' ' ' HIS . 1.1 mt -58.24 -41.93 85.24 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.818 179.072 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -80.52 -27.06 37.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.099 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 95' ' ' SER . . . . . 0.521 ' CB ' HD11 ' C' ' 33' ' ' LEU . 5.8 m -79.1 -20.13 49.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.814 -179.564 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 96' ' ' LEU . . . . . 0.888 HD22 HD22 ' D' ' 110' ' ' LEU . 0.2 OUTLIER -43.96 -52.38 7.0 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.009 0.433 . . . . 0.0 112.145 -179.421 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -67.47 -27.62 67.18 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.443 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 98' ' ' GLU . . . . . 0.769 ' O ' ' HB3' ' D' ' 101' ' ' ALA . 0.0 OUTLIER -69.96 -36.79 75.5 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.601 -1.259 . . . . 0.0 107.601 177.696 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 99' ' ' ILE . . . . . 0.954 HG12 HD11 ' C' ' 25' ' ' LEU . 82.1 mt -58.31 -45.98 89.15 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.704 0 CA-C-N 114.456 -1.247 . . . . 0.0 109.593 178.015 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 100' ' ' HIS . . . . . 1.003 ' HB2' HD11 ' D' ' 110' ' ' LEU . 1.5 t-80 -55.05 -43.24 73.62 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 178.25 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 101' ' ' ALA . . . . . 0.769 ' HB3' ' O ' ' D' ' 98' ' ' GLU . . . -50.46 -43.19 55.12 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 113.793 -1.549 . . . . 0.0 112.257 179.592 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 102' ' ' LEU . . . . . 0.584 HD12 HG23 ' D' ' 103' ' ' THR . 0.3 OUTLIER -118.49 28.97 8.01 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 113.029 0.751 . . . . 0.0 113.029 -177.499 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 103' ' ' THR . . . . . 0.584 HG23 HD12 ' D' ' 102' ' ' LEU . 25.3 p -152.82 -9.93 0.17 Allowed 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 113.094 0.776 . . . . 0.0 113.094 179.726 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 2.5 p30 46.12 27.95 0.59 Allowed 'General case' 0 CA--C 1.529 0.146 0 CA-C-O 120.826 0.346 . . . . 0.0 110.934 -179.413 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 105' ' ' SER . . . . . 0.485 ' HG ' ' HH ' ' C' ' 21' ' ' TYR . 7.0 t -48.41 -82.02 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.093 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 106' ' ' SER . . . . . . . . . . . . . 9.6 t 169.35 109.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.382 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -49.29 -36.81 21.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.759 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.45 -47.94 79.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 109.968 179.339 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 109' ' ' ASP . . . . . 0.668 ' O ' HD12 ' D' ' 113' ' ' LEU . 4.4 m-20 -63.09 -36.09 82.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.676 178.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 110' ' ' LEU . . . . . 1.003 HD11 ' HB2' ' D' ' 100' ' ' HIS . 17.5 mt -61.27 -52.76 63.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.069 179.132 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 111' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -53.77 -40.66 66.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.877 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 112' ' ' PHE . . . . . 0.459 ' O ' HG23 ' D' ' 116' ' ' VAL . 0.6 OUTLIER -59.04 -45.78 89.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.635 179.79 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 113' ' ' LEU . . . . . 0.668 HD11 ' CD1' ' C' ' 17' ' ' LEU . 0.5 OUTLIER -70.51 -29.01 65.4 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.125 -179.647 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 114' ' ' HIS . . . . . 0.772 ' HA ' HD21 ' D' ' 93' ' ' LEU . 48.8 m80 -62.75 -38.26 89.85 Favored 'General case' 0 CA--C 1.516 -0.332 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 178.338 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 115' ' ' SER . . . . . . . . . . . . . 71.0 m -71.8 -37.8 70.36 Favored 'General case' 0 CA--C 1.517 -0.322 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 178.681 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 116' ' ' VAL . . . . . 0.868 HG11 ' CB ' ' C' ' 14' ' ' ALA . 44.6 t -61.53 -23.35 30.46 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.627 178.296 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 117' ' ' PHE . . . . . 0.822 ' HB3' HG12 ' D' ' 89' ' ' VAL . 9.4 m-30 -105.09 -23.57 12.91 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.47 -179.709 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 118' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' D' ' 114' ' ' HIS . 0.0 OUTLIER -71.16 -30.48 66.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.857 0.36 . . . . 0.0 111.47 -179.399 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -42.68 133.57 3.43 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.86 -179.322 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 120' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -76.7 -49.49 15.95 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.561 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 121' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -55.94 -34.0 65.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.298 179.548 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 122' ' ' LEU . . . . . 0.841 HD12 HD12 ' D' ' 125' ' ' LEU . 29.8 tp -55.88 -46.51 78.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.031 179.467 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 123' ' ' HIS . . . . . 0.992 ' HA ' HD12 ' D' ' 126' ' ' LEU . 48.8 m170 -53.86 -26.67 25.74 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.143 0.497 . . . . 0.0 109.82 178.729 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 124' ' ' THR . . . . . 0.503 HG21 HG23 ' C' ' 61' ' ' VAL . 2.6 m -76.4 -33.88 58.86 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.41 178.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 125' ' ' LEU . . . . . 0.841 HD12 HD12 ' D' ' 122' ' ' LEU . 13.2 mt -70.24 -40.88 74.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.509 179.382 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 126' ' ' LEU . . . . . 0.992 HD12 ' HA ' ' D' ' 123' ' ' HIS . 0.5 OUTLIER -69.12 -40.69 78.17 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.253 -179.679 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 127' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -64.31 -53.19 52.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.805 0.336 . . . . 0.0 111.095 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 128' ' ' LEU . . . . . 0.809 HD21 ' CD2' ' A' ' 59' ' ' TYR . 36.7 mt -62.06 -42.06 98.8 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.3 -179.722 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 129' ' ' TYR . . . . . 0.894 ' CE2' HG23 ' C' ' 43' ' ' ILE . 0.1 OUTLIER -55.81 -51.43 67.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.933 0.397 . . . . 0.0 111.145 -179.257 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 130' ' ' ASP . . . . . 0.426 ' OD2' ' CE2' ' D' ' 129' ' ' TYR . 19.1 m-20 -75.76 -22.9 56.03 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.97 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.16 -51.98 57.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.914 0.388 . . . . 0.0 110.615 179.626 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 132' ' ' ILE . . . . . 0.681 HD12 ' O ' ' D' ' 128' ' ' LEU . 2.1 mt -73.06 -35.97 49.54 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.781 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 133' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -65.43 -25.74 67.66 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.128 -179.542 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 134' ' ' THR . . . . . . . . . . . . . 96.6 m -80.07 -32.7 39.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.607 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 135' ' ' LYS . . . . . 0.537 ' HG2' ' HB2' ' A' ' 51' ' ' ALA . 6.0 tptt -68.29 -49.82 57.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.227 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 136' ' ' SER . . . . . 0.824 ' C ' HD22 ' A' ' 47' ' ' ASN . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.556 179.513 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.51 HH21 HG22 ' B' ' 116' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.401 ' HD3' ' CG2' ' A' ' 53' ' ' ILE . 0.8 OUTLIER -62.41 -40.34 96.21 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-O 121.206 0.526 . . . . 0.0 109.686 179.123 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -76.9 -29.74 55.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.091 178.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.438 ' HB3' HG22 ' B' ' 116' ' ' VAL . 0.8 OUTLIER -77.47 -30.33 53.12 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.473 179.831 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.1 p -74.24 -44.34 53.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.517 179.698 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.95 -36.42 80.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.237 179.476 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.2 tpp180 -74.32 -25.31 59.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 109.932 179.109 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.791 ' CB ' HG11 ' B' ' 116' ' ' VAL . . . -78.15 -54.44 6.25 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.73 178.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.777 HD22 ' HB3' ' A' ' 44' ' ' PHE . 0.4 OUTLIER -62.49 -26.05 68.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.635 179.262 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 28.9 t60 -73.08 -45.33 57.85 Favored 'General case' 0 CA--C 1.517 -0.293 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 178.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.999 HD22 ' CE1' ' A' ' 21' ' ' TYR . 2.7 mt -62.88 -36.11 82.22 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.116 178.504 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.921 ' CD2' HG11 ' B' ' 92' ' ' VAL . 50.9 mt -60.61 -43.97 96.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.048 -0.978 . . . . 0.0 110.393 179.334 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.52 ' CD ' HG21 ' A' ' 41' ' ' ILE . 3.4 mm-40 -60.39 -45.55 93.14 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.576 179.674 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -71.25 -31.65 67.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.927 179.268 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.999 ' CE1' HD22 ' A' ' 17' ' ' LEU . 5.8 m-30 -67.36 -46.74 72.47 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.461 179.652 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.401 ' HB2' ' HG2' ' A' ' 34' ' ' ARG . 28.8 ptt85 -62.79 -38.37 90.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.723 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 98.2 p -63.29 -38.69 92.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.922 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt -92.04 -18.32 23.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.553 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.778 HD12 HD11 ' A' ' 37' ' ' ILE . 0.3 OUTLIER -77.94 -71.12 0.44 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.693 -179.774 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.477 ' HB2' ' HB2' ' A' ' 34' ' ' ARG . 14.6 t -62.87 -146.89 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.601 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 47.67 27.75 1.11 Allowed 'General case' 0 N--CA 1.452 -0.325 0 CA-C-O 121.037 0.446 . . . . 0.0 110.291 -179.471 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.447 HG23 ' HG2' ' A' ' 29' ' ' GLU . 3.1 t -152.65 -49.21 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.573 -179.654 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.447 ' HG2' HG23 ' A' ' 28' ' ' THR . 10.6 pt-20 -177.45 26.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.53 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.482 ' CB ' HD22 ' A' ' 25' ' ' LEU . 0.7 OUTLIER -144.01 60.19 1.36 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.059 0.457 . . . . 0.0 111.192 -179.657 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.8 mmm180 -68.08 -53.24 26.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.369 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.28 -49.7 76.82 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.777 179.092 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.47 HD11 ' CB ' ' B' ' 95' ' ' SER . 8.7 tp -51.58 -36.24 44.64 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.007 178.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.477 ' HB2' ' HB2' ' A' ' 26' ' ' SER . 18.8 ttp180 -60.61 -46.43 90.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.455 178.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 10.3 p -54.72 -35.3 63.53 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.386 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.524 ' O ' ' HG2' ' A' ' 39' ' ' ARG . 0.6 OUTLIER -66.47 -50.13 64.33 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.124 0.487 . . . . 0.0 110.319 179.385 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.778 HD11 HD12 ' A' ' 25' ' ' LEU . 28.2 mt -60.5 -37.69 75.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.727 178.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.414 ' HA ' HG12 ' A' ' 41' ' ' ILE . 7.6 mm-40 -64.54 -51.21 64.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 114.995 -1.002 . . . . 0.0 111.925 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.632 ' HG3' ' HB1' ' B' ' 88' ' ' ALA . 5.0 ptp85 -55.18 -38.3 68.17 Favored 'General case' 0 CA--C 1.52 -0.203 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.011 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.516 HG12 ' CD1' ' A' ' 44' ' ' PHE . 92.3 t -63.43 -40.99 91.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 178.17 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.709 HD11 ' HB3' ' A' ' 18' ' ' LEU . 13.4 mm -55.38 -58.35 4.78 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.157 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.769 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.7 t -58.38 -47.7 83.0 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-O 120.964 0.412 . . . . 0.0 110.649 -179.173 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.928 HG23 ' CE2' ' B' ' 129' ' ' TYR . 16.0 mt -59.89 -34.25 55.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.219 179.289 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.777 ' HB3' HD22 ' A' ' 15' ' ' LEU . 1.1 m-85 -72.79 -56.47 5.19 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.681 -0.69 . . . . 0.0 112.21 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -80.17 -0.57 36.62 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -178.4 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.425 ' CB ' ' CE1' ' B' ' 129' ' ' TYR . 14.1 p -53.68 140.1 30.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.926 0.394 . . . . 0.0 110.799 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -56.71 -32.02 65.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.686 -179.41 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.772 ' O ' HD12 ' A' ' 48' ' ' LEU . 2.0 tp -79.29 -46.82 16.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.685 -0.234 . . . . 0.0 111.509 -179.589 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.918 ' CE2' HD11 ' A' ' 53' ' ' ILE . 81.2 t80 -51.51 -50.67 59.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.781 0.324 . . . . 0.0 111.384 -179.36 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -56.99 -43.08 81.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.054 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.595 ' CB ' HG23 ' D' ' 132' ' ' ILE . . . -58.25 -40.76 82.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.944 0.402 . . . . 0.0 110.207 179.732 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.598 HD21 ' HB3' ' B' ' 128' ' ' LEU . 2.7 mt -61.6 -43.57 98.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.698 178.769 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.918 HD11 ' CE2' ' A' ' 49' ' ' PHE . 55.5 mt -55.97 -34.01 36.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.191 178.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.83 -34.18 69.1 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.443 179.292 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.872 HD11 ' CG1' ' D' ' 132' ' ' ILE . 69.6 mt -66.26 -46.78 86.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.467 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.413 ' CG ' ' O ' ' A' ' 53' ' ' ILE . 1.9 pt20 -53.09 -21.26 4.54 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.816 -179.322 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.403 ' O ' ' CG ' ' A' ' 58' ' ' PHE . 8.5 tt0 -47.19 -32.66 4.59 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.71 0.29 . . . . 0.0 111.083 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.463 ' CD1' ' HB2' ' C' ' 65' ' ' ASP . 95.5 m-85 -156.71 35.76 0.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.312 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.974 ' CD2' HD21 ' D' ' 128' ' ' LEU . 45.8 m-85 -142.34 70.16 1.33 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.381 179.601 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.492 ' HB2' ' HB ' ' C' ' 62' ' ' THR . 67.4 mt-10 -57.23 91.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.95 -179.659 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.533 HG23 HG21 ' B' ' 124' ' ' THR . 0.0 OUTLIER -72.88 106.11 2.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.127 -179.935 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.411 ' HB ' ' HB2' ' C' ' 60' ' ' GLU . 3.2 m -89.3 122.22 32.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.482 179.672 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.652 HD22 ' CB ' ' A' ' 66' ' ' ASN . 0.1 OUTLIER -92.92 131.31 38.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.092 -179.897 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.688 HD23 ' N ' ' A' ' 64' ' ' LEU . 0.1 OUTLIER -115.59 -25.3 7.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.094 -179.818 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.455 ' HB2' ' CB ' ' C' ' 58' ' ' PHE . 0.4 OUTLIER -80.54 -14.29 58.36 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.306 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.652 ' CB ' HD22 ' A' ' 63' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.611 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.623 0 N-CA-C 110.453 -1.059 . . . . 0.0 110.453 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.854 HD23 ' N ' ' B' ' 82' ' ' LEU . 0.2 OUTLIER -87.44 -36.49 17.68 Favored 'General case' 0 CA--C 1.519 -0.246 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 178.65 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 83' ' ' LEU . . . . . 0.972 HD23 ' H ' ' B' ' 84' ' ' ALA . 0.4 OUTLIER -61.42 -44.53 96.97 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.142 -0.936 . . . . 0.0 110.723 -179.795 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 1.005 ' HB1' ' HB2' ' B' ' 88' ' ' ALA . . . -78.7 -19.37 52.58 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.786 -178.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 85' ' ' ALA . . . . . 0.709 ' HB2' ' OD2' ' B' ' 130' ' ' ASP . . . -52.32 -24.02 6.83 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.346 0.593 . . . . 0.0 109.836 179.082 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 86' ' ' GLU . . . . . 0.412 ' O ' ' CB ' ' B' ' 90' ' ' SER . 10.2 tt0 -127.41 -39.69 1.85 Allowed 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.828 178.69 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 87' ' ' ARG . . . . . 0.698 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 20.2 ttt85 -64.96 -39.96 94.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.619 179.377 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 88' ' ' ALA . . . . . 1.005 ' HB2' ' HB1' ' B' ' 84' ' ' ALA . . . -69.94 -47.63 61.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.782 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 89' ' ' VAL . . . . . 0.642 HG13 ' CD1' ' B' ' 117' ' ' PHE . 37.8 t -70.29 -34.08 56.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.407 179.412 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 90' ' ' SER . . . . . 0.452 ' HA ' ' HB2' ' B' ' 93' ' ' LEU . 72.6 m -76.18 -25.01 54.79 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.352 179.19 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 91' ' ' GLN . . . . . 0.482 ' HB3' ' HB3' ' A' ' 36' ' ' SER . 9.5 mt-30 -67.73 -53.16 29.62 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 121.307 0.575 . . . . 0.0 109.462 179.323 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 92' ' ' VAL . . . . . 0.921 HG11 ' CD2' ' A' ' 18' ' ' LEU . 4.9 t -69.73 -27.77 34.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.168 -0.924 . . . . 0.0 109.968 179.116 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 93' ' ' LEU . . . . . 0.762 HD21 ' HA ' ' B' ' 114' ' ' HIS . 4.2 mt -68.76 -35.13 76.7 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.354 179.722 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -83.52 -37.64 22.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.919 0.39 . . . . 0.0 110.964 -179.63 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 95' ' ' SER . . . . . 0.47 ' CB ' HD11 ' A' ' 33' ' ' LEU . 0.5 OUTLIER -79.66 -20.34 46.88 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.712 -179.623 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 96' ' ' LEU . . . . . 0.816 HD13 ' HB3' ' B' ' 110' ' ' LEU . 0.1 OUTLIER -36.88 -49.11 0.79 Allowed 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 112.529 0.566 . . . . 0.0 112.529 -179.484 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -69.29 -32.13 71.09 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.226 -179.049 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 98' ' ' GLU . . . . . 0.821 ' OE2' HD21 ' B' ' 102' ' ' LEU . 0.0 OUTLIER -68.93 -35.81 77.25 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 177.68 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 99' ' ' ILE . . . . . 0.548 HG23 HG21 ' B' ' 103' ' ' THR . 8.4 mt -57.9 -48.37 84.09 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.645 0 CA-C-N 114.291 -1.322 . . . . 0.0 109.885 178.239 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 100' ' ' HIS . . . . . 0.77 ' HB2' HD11 ' B' ' 110' ' ' LEU . 1.4 t60 -55.98 -39.91 72.51 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-O 121.971 0.891 . . . . 0.0 108.692 178.359 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 101' ' ' ALA . . . . . 0.789 ' HB3' ' O ' ' B' ' 98' ' ' GLU . . . -52.45 -41.62 63.46 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 113.884 -1.507 . . . . 0.0 111.819 179.48 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 102' ' ' LEU . . . . . 0.821 HD21 ' OE2' ' B' ' 98' ' ' GLU . 0.4 OUTLIER -123.53 35.47 4.85 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -177.351 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 103' ' ' THR . . . . . 0.652 HG23 HD12 ' B' ' 102' ' ' LEU . 39.7 p -150.69 -38.97 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.685 -0.406 . . . . 0.0 111.856 179.6 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 74.89 29.95 0.98 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.987 0.422 . . . . 0.0 110.14 -178.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 105' ' ' SER . . . . . 0.421 ' HB3' ' CZ ' ' A' ' 21' ' ' TYR . 3.1 m -64.59 -8.5 14.39 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.75 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 75.57 118.96 0.05 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.846 0.355 . . . . 0.0 110.554 -179.685 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 107' ' ' GLU . . . . . 0.729 ' HA ' HD12 ' B' ' 110' ' ' LEU . 0.4 OUTLIER -50.64 -27.02 6.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.182 -179.78 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.3 -51.71 68.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.131 0.491 . . . . 0.0 110.212 179.472 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 109' ' ' ASP . . . . . 0.626 ' O ' HD12 ' B' ' 113' ' ' LEU . 14.6 m-20 -65.49 -39.84 92.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.878 179.002 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 110' ' ' LEU . . . . . 0.816 ' HB3' HD13 ' B' ' 96' ' ' LEU . 52.2 mt -61.31 -36.46 80.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.124 179.188 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 111' ' ' ASP . . . . . 0.427 ' O ' ' ND1' ' B' ' 114' ' ' HIS . 0.7 OUTLIER -66.32 -43.03 87.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.665 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 112' ' ' PHE . . . . . 0.555 ' O ' HG23 ' B' ' 116' ' ' VAL . 0.5 OUTLIER -60.81 -37.2 81.15 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.461 179.81 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 113' ' ' LEU . . . . . 0.719 HD11 ' CD1' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -78.45 -35.06 47.26 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.862 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 114' ' ' HIS . . . . . 0.762 ' HA ' HD21 ' B' ' 93' ' ' LEU . 0.0 OUTLIER -61.65 -29.03 69.8 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 178.708 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 1.9 m -79.32 -39.09 33.66 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 177.609 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 116' ' ' VAL . . . . . 0.865 ' O ' HD22 ' B' ' 122' ' ' LEU . 25.2 t -61.04 -24.02 31.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.669 178.27 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 117' ' ' PHE . . . . . 0.642 ' CD1' HG13 ' B' ' 89' ' ' VAL . 22.4 m-85 -99.86 -31.8 11.32 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.432 -179.482 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 118' ' ' GLN . . . . . 0.622 ' NE2' ' CD2' ' B' ' 114' ' ' HIS . 0.0 OUTLIER -66.65 -27.54 67.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.785 0.326 . . . . 0.0 111.587 -179.378 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.16 126.94 6.53 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.463 -179.683 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 120' ' ' GLN . . . . . 0.437 ' O ' ' CD2' ' B' ' 123' ' ' HIS . 0.0 OUTLIER -68.44 -49.69 58.03 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.713 179.921 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 121' ' ' HIS . . . . . 0.41 ' O ' ' HB ' ' B' ' 124' ' ' THR . 4.2 m-70 -55.14 -33.31 62.81 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.399 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 122' ' ' LEU . . . . . 0.865 HD22 ' O ' ' B' ' 116' ' ' VAL . 26.6 tp -56.07 -50.56 70.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.718 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 123' ' ' HIS . . . . . 0.593 ' HA ' HD12 ' B' ' 126' ' ' LEU . 0.0 OUTLIER -52.43 -25.94 11.35 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.962 0.41 . . . . 0.0 110.169 179.597 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 124' ' ' THR . . . . . 0.533 HG21 HG23 ' A' ' 61' ' ' VAL . 9.2 m -76.79 -34.46 57.98 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.412 178.636 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 125' ' ' LEU . . . . . 0.514 HD13 HG12 ' A' ' 53' ' ' ILE . 16.6 mt -65.65 -40.16 92.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.338 179.078 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 126' ' ' LEU . . . . . 0.619 ' CB ' ' HB1' ' B' ' 85' ' ' ALA . 1.4 mp -68.4 -50.82 50.15 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.288 -179.604 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 127' ' ' ASP . . . . . 0.417 ' O ' ' OD1' ' B' ' 130' ' ' ASP . 72.5 m-20 -59.53 -48.74 80.47 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.97 0.414 . . . . 0.0 110.826 179.775 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 128' ' ' LEU . . . . . 0.894 HD21 ' CD2' ' C' ' 59' ' ' TYR . 96.2 mt -60.96 -40.38 93.12 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.952 0.405 . . . . 0.0 110.454 179.687 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 129' ' ' TYR . . . . . 0.928 ' CE2' HG23 ' A' ' 43' ' ' ILE . 0.2 OUTLIER -65.73 -50.58 64.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.209 -179.66 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 130' ' ' ASP . . . . . 0.709 ' OD2' ' HB2' ' B' ' 85' ' ' ALA . 4.2 p30 -75.23 -19.92 59.5 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.326 -179.687 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.11 -46.65 33.11 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.699 0.285 . . . . 0.0 111.077 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 132' ' ' ILE . . . . . 0.573 ' HB ' HD21 ' A' ' 48' ' ' LEU . 4.2 mt -74.58 -35.71 38.88 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 CA-C-O 120.899 0.38 . . . . 0.0 110.791 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 133' ' ' ASN . . . . . 0.412 ' HB2' HD23 ' A' ' 48' ' ' LEU . 3.4 t-20 -65.02 -26.49 68.3 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.313 -179.615 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 83.3 m -90.38 -27.5 19.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.106 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 135' ' ' LYS . . . . . 0.412 ' HD3' ' HB2' ' C' ' 51' ' ' ALA . 0.0 OUTLIER -59.67 -62.73 1.66 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.216 -179.91 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 84.2 p . . . . . 0 C--N 1.324 -0.508 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.206 -179.704 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 7' ' ' ARG . . . . . 0.698 ' HG3' HG23 ' C' ' 11' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.123 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 8' ' ' LYS . . . . . 0.613 ' HG2' HG21 ' C' ' 53' ' ' ILE . 39.0 mttt -66.23 -38.65 88.42 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 121.283 0.563 . . . . 0.0 109.703 178.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -75.45 -31.58 60.36 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.985 179.077 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 10' ' ' ASP . . . . . 0.59 ' HB3' HG22 ' D' ' 116' ' ' VAL . 87.3 m-20 -80.36 -29.81 37.93 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.645 179.717 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 11' ' ' THR . . . . . 0.698 HG23 ' HG3' ' C' ' 7' ' ' ARG . 21.6 p -77.45 -38.59 49.05 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.594 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -72.87 -37.27 67.4 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 179.34 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 -72.8 -28.2 62.43 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.849 178.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 14' ' ' ALA . . . . . 0.932 ' CB ' HG11 ' D' ' 116' ' ' VAL . . . -78.49 -55.54 5.14 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 178.808 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 15' ' ' LEU . . . . . 0.824 ' HA ' HD12 ' C' ' 18' ' ' LEU . 0.3 OUTLIER -60.74 -24.47 65.74 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.493 178.931 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 16' ' ' HIS . . . . . 0.424 ' HA ' ' HG2' ' C' ' 19' ' ' GLU . 39.9 t60 -73.27 -47.53 42.24 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 178.56 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 17' ' ' LEU . . . . . 0.906 HD22 ' CZ ' ' C' ' 21' ' ' TYR . 1.6 mt -63.54 -37.64 88.09 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.518 178.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 18' ' ' LEU . . . . . 0.859 HD22 HG11 ' D' ' 92' ' ' VAL . 20.7 mt -62.91 -49.93 72.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.096 -0.956 . . . . 0.0 111.077 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 19' ' ' GLU . . . . . 0.445 ' O ' ' HG2' ' C' ' 22' ' ' ARG . 4.6 pt-20 -60.23 -31.77 70.5 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.865 0.364 . . . . 0.0 110.649 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 20' ' ' GLU . . . . . 0.407 ' N ' ' HG3' ' C' ' 19' ' ' GLU . 0.5 OUTLIER -75.66 -35.36 60.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.954 179.368 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 21' ' ' TYR . . . . . 0.906 ' CZ ' HD22 ' C' ' 17' ' ' LEU . 19.1 m-85 -70.05 -47.29 62.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.574 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 22' ' ' ARG . . . . . 0.479 ' HA ' ' HB2' ' C' ' 25' ' ' LEU . 30.7 ptt85 -57.99 -47.33 83.32 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.559 179.74 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 23' ' ' SER . . . . . 0.442 ' N ' ' HG3' ' C' ' 22' ' ' ARG . 2.4 p -57.36 -40.86 78.97 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.701 179.589 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 24' ' ' LYS . . . . . . . . . . . . . 8.6 ptmt -93.34 4.68 53.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.965 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 25' ' ' LEU . . . . . 0.912 HD11 HG12 ' D' ' 99' ' ' ILE . 0.7 OUTLIER -92.34 -74.26 0.52 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.946 -179.109 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 26' ' ' SER . . . . . 0.643 ' HB2' ' HD2' ' C' ' 31' ' ' ARG . 52.5 p -44.13 -28.26 0.48 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -178.35 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 27' ' ' GLN . . . . . 0.427 ' O ' ' HB ' ' C' ' 28' ' ' THR . 0.4 OUTLIER -70.9 55.49 0.18 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.833 0.349 . . . . 0.0 111.828 -178.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 28' ' ' THR . . . . . 0.819 HG22 ' O ' ' C' ' 25' ' ' LEU . 8.8 t -178.62 -60.28 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.741 179.427 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 29' ' ' GLU . . . . . 0.642 ' N ' HG23 ' C' ' 28' ' ' THR . 16.8 pt-20 -176.89 28.84 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.598 -179.186 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 30' ' ' ASP . . . . . 0.418 ' CB ' HD22 ' C' ' 25' ' ' LEU . 3.2 m-20 -134.83 44.81 2.6 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.955 0.407 . . . . 0.0 110.852 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 31' ' ' ARG . . . . . 0.643 ' HD2' ' HB2' ' C' ' 26' ' ' SER . 18.6 mmm180 -62.06 -47.24 85.57 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.389 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -40.31 89.69 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.311 0.577 . . . . 0.0 109.7 178.44 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 33' ' ' LEU . . . . . 0.73 HD21 ' HB3' ' D' ' 95' ' ' SER . 4.1 tp -59.87 -34.57 73.32 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.286 179.043 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 34' ' ' ARG . . . . . 0.621 ' HB2' ' HB3' ' C' ' 26' ' ' SER . 0.4 OUTLIER -61.11 -44.67 97.0 Favored 'General case' 0 CA--C 1.516 -0.346 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 178.721 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.64 -41.66 73.88 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.538 178.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 36' ' ' SER . . . . . 0.473 ' HB3' ' NE2' ' D' ' 91' ' ' GLN . 0.0 OUTLIER -63.45 -51.52 65.32 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.132 0.492 . . . . 0.0 110.164 179.379 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 37' ' ' ILE . . . . . 0.898 HD11 HD12 ' C' ' 25' ' ' LEU . 9.8 mt -57.88 -39.42 71.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.872 178.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.45 -46.02 73.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.083 -0.962 . . . . 0.0 110.547 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 39' ' ' ARG . . . . . 0.441 ' HB3' ' CB ' ' D' ' 88' ' ' ALA . 54.9 mtt180 -56.02 -49.68 73.02 Favored 'General case' 0 CA--C 1.514 -0.419 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 178.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 40' ' ' VAL . . . . . 0.608 ' O ' ' HB2' ' C' ' 44' ' ' PHE . 46.7 t -60.46 -32.82 52.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.693 179.664 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 41' ' ' ILE . . . . . 0.561 HD11 ' CB ' ' C' ' 18' ' ' LEU . 5.1 mm -70.25 -53.14 24.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 C-N-CA 121.016 -0.273 . . . . 0.0 111.562 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 11.3 t -64.53 -48.31 75.55 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-O 120.778 0.323 . . . . 0.0 111.049 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 43' ' ' ILE . . . . . 0.425 ' O ' ' CG ' ' C' ' 49' ' ' PHE . 8.5 mt -59.3 -34.6 54.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.28 179.623 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 44' ' ' PHE . . . . . 0.76 ' HB3' HD22 ' C' ' 15' ' ' LEU . 2.2 m-85 -72.71 -56.81 4.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.393 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 45' ' ' GLN . . . . . 0.407 ' HG2' ' O ' ' C' ' 41' ' ' ILE . 15.3 pt20 -80.1 -9.18 59.69 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -177.563 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 46' ' ' SER . . . . . 0.485 ' OG ' ' HB2' ' C' ' 49' ' ' PHE . 21.9 p -46.99 144.98 2.25 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.868 0.366 . . . . 0.0 111.079 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.55 -40.04 81.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.912 -179.268 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 48' ' ' LEU . . . . . 0.744 ' O ' HD12 ' C' ' 48' ' ' LEU . 2.0 tp -72.62 -48.22 41.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.572 -0.286 . . . . 0.0 111.447 -179.261 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 49' ' ' PHE . . . . . 0.957 ' O ' HD23 ' C' ' 52' ' ' LEU . 43.0 t80 -51.83 -56.76 12.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.803 0.335 . . . . 0.0 111.285 -179.366 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -57.21 -38.09 73.19 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.111 0.482 . . . . 0.0 110.59 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 51' ' ' ALA . . . . . 0.412 ' HB2' ' HD3' ' B' ' 135' ' ' LYS . . . -60.83 -46.53 90.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.554 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 52' ' ' LEU . . . . . 1.057 HD11 ' HA ' ' D' ' 125' ' ' LEU . 0.1 OUTLIER -68.09 -32.61 73.05 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 120.606 -0.437 . . . . 0.0 110.513 -179.706 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 53' ' ' ILE . . . . . 0.879 HG12 HD13 ' D' ' 125' ' ' LEU . 49.5 mt -58.86 -39.8 78.42 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 178.232 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -63.06 -40.6 98.18 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.261 178.219 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 55' ' ' ILE . . . . . 0.731 HD12 ' HA ' ' C' ' 52' ' ' LEU . 96.7 mt -54.54 -47.06 72.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.497 178.833 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 56' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -50.92 -24.24 3.46 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.789 -0.642 . . . . 0.0 111.59 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 57' ' ' GLU . . . . . 0.414 ' O ' ' CD2' ' C' ' 58' ' ' PHE . 59.4 mt-10 -45.88 -30.1 1.61 Allowed 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.853 0.359 . . . . 0.0 111.013 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 58' ' ' PHE . . . . . 0.455 ' CB ' ' HB2' ' A' ' 65' ' ' ASP . 62.9 m-85 -156.9 27.4 0.32 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.086 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 59' ' ' TYR . . . . . 0.894 ' CD2' HD21 ' B' ' 128' ' ' LEU . 17.4 m-85 -134.22 74.84 1.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.644 179.718 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 60' ' ' GLU . . . . . 0.411 ' HB2' ' HB ' ' A' ' 62' ' ' THR . 1.3 mm-40 -59.4 102.08 0.13 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.944 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 61' ' ' VAL . . . . . 0.49 HG13 HG12 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -81.62 96.71 3.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.93 0.395 . . . . 0.0 110.865 179.814 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 62' ' ' THR . . . . . 0.492 ' HB ' ' HB2' ' A' ' 60' ' ' GLU . 2.7 m -81.24 114.07 19.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.214 179.537 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 63' ' ' LEU . . . . . 0.492 HD11 ' CZ ' ' A' ' 59' ' ' TYR . 0.2 OUTLIER -88.45 132.69 34.37 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.333 -179.587 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 64' ' ' LEU . . . . . 0.799 ' N ' HD23 ' C' ' 64' ' ' LEU . 0.1 OUTLIER -113.73 -22.77 10.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.721 179.631 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 65' ' ' ASP . . . . . 0.463 ' HB2' ' CD1' ' A' ' 58' ' ' PHE . 0.3 OUTLIER -167.92 -86.84 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.78 179.698 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 66' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 . . . . . 0 C--N 1.33 -0.241 0 CA-C-O 120.684 0.278 . . . . 0.0 111.051 179.728 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.68 0 N-CA-C 110.622 -0.991 . . . . 0.0 110.622 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 82' ' ' LEU . . . . . 0.868 ' N ' HD23 ' D' ' 82' ' ' LEU . 0.3 OUTLIER -74.61 -31.3 61.98 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.113 0.482 . . . . 0.0 109.941 179.134 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 83' ' ' LEU . . . . . 1.033 HD23 ' H ' ' D' ' 84' ' ' ALA . 0.2 OUTLIER -55.05 -50.68 68.49 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.156 -179.229 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 84' ' ' ALA . . . . . 1.033 ' H ' HD23 ' D' ' 83' ' ' LEU . . . -72.03 -26.48 62.22 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.304 -179.27 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 85' ' ' ALA . . . . . 0.885 ' HB1' ' HB2' ' D' ' 126' ' ' LEU . . . -52.84 -26.35 14.31 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.989 0.423 . . . . 0.0 110.41 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 86' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -123.3 -41.48 2.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.699 178.757 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 87' ' ' ARG . . . . . 0.8 ' HB3' ' O ' ' D' ' 83' ' ' LEU . 13.5 ttt180 -61.68 -52.54 63.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.996 178.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 88' ' ' ALA . . . . . 0.701 ' HB3' ' O ' ' D' ' 84' ' ' ALA . . . -58.63 -40.08 82.32 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.864 179.758 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 89' ' ' VAL . . . . . 0.5 ' CG1' ' HB3' ' D' ' 117' ' ' PHE . 59.7 t -65.61 -56.24 16.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.322 179.228 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.63 -22.88 64.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.897 179.471 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 91' ' ' GLN . . . . . 0.531 ' NE2' ' HA ' ' D' ' 88' ' ' ALA . 11.7 mt-30 -67.43 -57.25 6.91 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-O 121.276 0.56 . . . . 0.0 109.787 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 92' ' ' VAL . . . . . 0.859 HG11 HD22 ' C' ' 18' ' ' LEU . 8.2 t -69.49 -28.29 37.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.926 179.042 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 93' ' ' LEU . . . . . 0.791 HD21 ' HA ' ' D' ' 114' ' ' HIS . 3.7 mt -69.72 -26.99 64.6 Favored 'General case' 0 N--CA 1.457 -0.121 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.152 179.453 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.34 -45.46 10.56 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-O 120.881 0.372 . . . . 0.0 111.183 -179.663 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 95' ' ' SER . . . . . 0.73 ' HB3' HD21 ' C' ' 33' ' ' LEU . 0.5 OUTLIER -79.7 -9.64 59.67 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.801 -179.5 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 96' ' ' LEU . . . . . 0.785 HD13 ' HB3' ' D' ' 110' ' ' LEU . 0.1 OUTLIER -43.5 -52.12 6.31 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.065 0.459 . . . . 0.0 111.829 -179.575 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -68.19 -27.29 66.27 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.108 -179.41 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 98' ' ' GLU . . . . . 0.819 ' O ' ' HB3' ' D' ' 101' ' ' ALA . 0.1 OUTLIER -71.6 -35.77 70.61 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 178.143 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 99' ' ' ILE . . . . . 0.912 HG12 HD11 ' C' ' 25' ' ' LEU . 86.3 mt -59.55 -49.71 82.66 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.7 0 CA-C-N 114.677 -1.147 . . . . 0.0 109.605 178.329 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 100' ' ' HIS . . . . . 0.904 ' HB2' HD11 ' D' ' 110' ' ' LEU . 0.1 OUTLIER -57.79 -34.76 69.97 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 178.339 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 101' ' ' ALA . . . . . 0.819 ' HB3' ' O ' ' D' ' 98' ' ' GLU . . . -54.71 -43.09 72.27 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.569 -1.196 . . . . 0.0 111.665 179.334 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 102' ' ' LEU . . . . . 0.785 HD21 ' OE2' ' D' ' 98' ' ' GLU . 0.3 OUTLIER -118.49 22.18 12.21 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 -177.509 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 103' ' ' THR . . . . . 0.694 HG23 HD12 ' D' ' 102' ' ' LEU . 36.6 p -143.09 -8.19 0.8 Allowed 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 112.509 0.559 . . . . 0.0 112.509 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 2.8 t0 55.3 22.26 4.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.833 0.349 . . . . 0.0 110.97 -179.49 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 105' ' ' SER . . . . . 0.46 ' HB3' ' CE1' ' C' ' 21' ' ' TYR . 12.1 p -57.51 -23.05 47.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.946 179.601 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 106' ' ' SER . . . . . . . . . . . . . 1.7 p 79.42 127.98 0.05 OUTLIER 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.003 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 107' ' ' GLU . . . . . 0.573 ' HA ' HD12 ' D' ' 110' ' ' LEU . 2.5 mm-40 -54.72 -23.61 18.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.909 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.3 -55.17 38.41 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 121.021 0.439 . . . . 0.0 110.132 179.518 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 109' ' ' ASP . . . . . 0.789 ' O ' HD12 ' D' ' 113' ' ' LEU . 4.5 m-20 -63.19 -38.56 91.66 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.828 179.13 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 110' ' ' LEU . . . . . 0.904 HD11 ' HB2' ' D' ' 100' ' ' HIS . 61.8 mt -64.42 -35.23 80.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.301 179.298 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 111' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -63.19 -48.83 76.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.692 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 112' ' ' PHE . . . . . 0.551 ' O ' HG23 ' D' ' 116' ' ' VAL . 2.0 t80 -59.03 -41.37 87.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.453 179.772 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 113' ' ' LEU . . . . . 0.789 HD12 ' O ' ' D' ' 109' ' ' ASP . 0.4 OUTLIER -71.68 -38.89 70.56 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.174 -179.582 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 114' ' ' HIS . . . . . 0.791 ' HA ' HD21 ' D' ' 93' ' ' LEU . 0.3 OUTLIER -60.6 -35.19 75.51 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 178.877 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 115' ' ' SER . . . . . . . . . . . . . 8.7 t -72.4 -35.51 68.42 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 177.688 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 116' ' ' VAL . . . . . 0.932 HG11 ' CB ' ' C' ' 14' ' ' ALA . 17.6 t -65.06 -23.81 34.12 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 CA-C-N 115.056 -0.974 . . . . 0.0 109.392 177.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 117' ' ' PHE . . . . . 0.781 ' CZ ' HD11 ' C' ' 18' ' ' LEU . 7.6 m-85 -100.68 -25.92 13.98 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.294 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 118' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' D' ' 114' ' ' HIS . 0.6 OUTLIER -73.79 -26.89 60.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.36 -179.481 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -41.46 134.54 2.28 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.938 -179.267 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 120' ' ' GLN . . . . . . . . . . . . . 4.6 tm0? -71.6 -50.45 30.77 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.665 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 121' ' ' HIS . . . . . . . . . . . . . 23.1 m80 -55.87 -34.26 65.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.447 179.576 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 122' ' ' LEU . . . . . 0.871 HD22 ' O ' ' D' ' 116' ' ' VAL . 53.6 tp -56.07 -47.78 77.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.098 179.5 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 123' ' ' HIS . . . . . 0.798 ' HA ' HD12 ' D' ' 126' ' ' LEU . 61.7 m80 -53.03 -27.5 19.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.152 0.501 . . . . 0.0 109.952 178.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 124' ' ' THR . . . . . 0.42 HG22 ' CD1' ' D' ' 128' ' ' LEU . 4.6 m -77.77 -30.41 51.42 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.666 179.082 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 125' ' ' LEU . . . . . 1.057 ' HA ' HD11 ' C' ' 52' ' ' LEU . 28.6 mt -69.47 -43.87 72.34 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.334 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 126' ' ' LEU . . . . . 0.885 ' HB2' ' HB1' ' D' ' 85' ' ' ALA . 0.3 OUTLIER -71.41 -39.35 71.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.977 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 127' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -66.85 -41.74 86.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.573 -179.499 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 128' ' ' LEU . . . . . 0.974 HD21 ' CD2' ' A' ' 59' ' ' TYR . 72.3 mt -75.82 -40.25 55.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.921 0.391 . . . . 0.0 110.862 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 129' ' ' TYR . . . . . 0.419 ' O ' HD23 ' C' ' 48' ' ' LEU . 2.4 t80 -55.6 -51.31 67.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.905 -179.683 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 130' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -75.57 -29.62 59.39 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 131' ' ' LYS . . . . . 0.891 ' O ' HG22 ' D' ' 134' ' ' THR . 0.2 OUTLIER -58.22 -49.91 75.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.697 179.76 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 132' ' ' ILE . . . . . 0.872 ' CG1' HD11 ' A' ' 55' ' ' ILE . 2.5 mt -75.42 -33.25 27.08 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 CA-C-O 121.006 0.432 . . . . 0.0 110.808 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 133' ' ' ASN . . . . . 0.465 ' HB2' HD23 ' C' ' 48' ' ' LEU . 0.1 OUTLIER -72.58 -25.88 61.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.26 -179.56 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 134' ' ' THR . . . . . 0.891 HG22 ' O ' ' D' ' 131' ' ' LYS . 4.6 t -65.81 -30.46 71.09 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.241 -179.582 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 135' ' ' LYS . . . . . 0.543 ' CD ' ' HB2' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -94.77 -30.96 13.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.051 -179.834 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 136' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.893 179.953 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.7 mtm180 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.407 ' HA ' ' OG1' ' A' ' 11' ' ' THR . 0.1 OUTLIER -64.0 -37.94 89.24 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 179.247 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -72.39 -32.43 66.39 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.604 178.635 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.54 ' HB3' HG22 ' B' ' 116' ' ' VAL . 4.7 m-20 -76.96 -29.91 55.79 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.36 179.724 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.426 HG21 HD13 ' A' ' 53' ' ' ILE . 1.3 p -70.24 -42.83 71.7 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.284 179.696 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.32 -35.2 71.15 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 179.23 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.6 tpt180 -76.04 -25.27 55.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.85 178.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.823 ' CB ' HG11 ' B' ' 116' ' ' VAL . . . -78.68 -54.52 6.03 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.563 178.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.865 ' HA ' HD12 ' A' ' 18' ' ' LEU . 0.4 OUTLIER -63.92 -26.85 68.78 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.687 179.363 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -73.62 -45.02 55.47 Favored 'General case' 0 CA--C 1.519 -0.215 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 178.797 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.939 HD22 ' CE1' ' A' ' 21' ' ' TYR . 2.0 mt -62.61 -37.15 85.14 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.344 178.718 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.898 HD22 HG11 ' B' ' 92' ' ' VAL . 47.0 mt -60.24 -48.2 82.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.521 179.657 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.419 ' O ' ' CG ' ' A' ' 22' ' ' ARG . 34.4 mt-10 -57.81 -44.0 86.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.772 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.44 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 14.0 mt-10 -70.16 -34.59 73.21 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.153 0.501 . . . . 0.0 109.695 179.427 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.939 ' CE1' HD22 ' A' ' 17' ' ' LEU . 12.0 m-30 -66.09 -46.43 77.66 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.906 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.419 ' CG ' ' O ' ' A' ' 19' ' ' GLU . 38.0 ptt85 -60.18 -39.69 87.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.897 0.38 . . . . 0.0 110.217 179.438 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.44 -46.41 80.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.264 179.268 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.44 ' HG3' ' O ' ' A' ' 20' ' ' GLU . 38.3 mtpt -81.05 -23.41 38.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.981 179.425 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.904 HD12 HD11 ' A' ' 37' ' ' ILE . 0.2 OUTLIER -69.6 -74.1 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.872 -179.185 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.461 ' HB3' ' HB2' ' A' ' 34' ' ' ARG . 1.4 p -57.16 -162.73 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.437 -179.145 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.406 ' OE1' ' NH1' ' A' ' 31' ' ' ARG . 1.5 mp0 60.58 30.22 19.58 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.423 -179.742 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.628 HG23 ' H ' ' A' ' 29' ' ' GLU . 6.0 t -154.25 -58.57 0.12 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.295 -179.587 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.628 ' H ' HG23 ' A' ' 28' ' ' THR . 17.0 pt-20 -174.97 28.25 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.756 -179.28 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.402 ' CB ' HD22 ' A' ' 25' ' ' LEU . 0.7 OUTLIER -146.99 53.48 1.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.018 0.437 . . . . 0.0 110.931 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.406 ' NH1' ' OE1' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -64.78 -49.37 70.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.024 179.588 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.83 -51.34 69.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.117 179.214 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.806 ' CD2' HD11 ' A' ' 25' ' ' LEU . 35.6 tp -52.6 -35.02 53.42 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.074 179.027 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.461 ' HB2' ' HB3' ' A' ' 26' ' ' SER . 6.6 ttp180 -60.51 -41.86 95.2 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 178.63 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.2 t -60.45 -34.56 74.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.171 179.104 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.512 ' O ' ' HG2' ' A' ' 39' ' ' ARG . 0.8 OUTLIER -66.69 -46.22 76.31 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.233 0.539 . . . . 0.0 110.387 179.509 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.904 HD11 HD12 ' A' ' 25' ' ' LEU . 52.4 mt -61.15 -39.53 82.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.867 178.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -62.19 -51.52 67.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.122 -0.945 . . . . 0.0 111.914 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.772 ' HG3' ' HB1' ' B' ' 88' ' ' ALA . 4.5 ptp180 -55.33 -38.52 68.84 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.04 -179.742 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.437 HG12 ' CD1' ' A' ' 44' ' ' PHE . 88.0 t -63.93 -40.95 90.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 178.405 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.581 HG12 ' O ' ' A' ' 37' ' ' ILE . 8.3 mm -55.36 -56.6 10.79 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.164 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.363 179.506 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.9 t -60.03 -47.55 85.4 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.914 0.388 . . . . 0.0 110.787 -179.429 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.427 ' O ' ' CG ' ' A' ' 49' ' ' PHE . 22.1 mt -59.86 -34.26 55.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.078 179.333 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.74 ' HB3' HD22 ' A' ' 15' ' ' LEU . 1.2 m-85 -72.47 -57.62 4.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.768 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -77.98 -2.26 36.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.788 -179.029 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.55 ' HG ' ' HE1' ' B' ' 129' ' ' TYR . 0.1 OUTLIER -49.44 141.23 9.35 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.931 0.396 . . . . 0.0 111.046 -179.858 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.98 -36.07 76.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.328 -179.522 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.841 ' O ' HD12 ' A' ' 48' ' ' LEU . 0.9 OUTLIER -79.44 -45.27 19.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.147 -179.759 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.621 ' CE1' HD23 ' B' ' 126' ' ' LEU . 51.2 t80 -51.15 -56.17 14.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.264 -179.52 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -56.91 -36.67 70.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.891 0.377 . . . . 0.0 110.519 179.68 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.18 -44.34 92.19 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.405 179.385 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.577 HD21 ' HB3' ' B' ' 128' ' ' LEU . 3.6 mt -60.75 -43.7 97.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.979 179.177 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.852 HG12 HD13 ' B' ' 125' ' ' LEU . 7.1 mt -55.24 -39.57 52.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.621 179.48 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -63.33 -44.02 96.11 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.235 179.328 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.534 HG22 ' HB2' ' A' ' 59' ' ' TYR . 64.1 mt -62.03 -35.63 69.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.633 179.369 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.4 tm0? -57.17 -18.09 13.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.685 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.432 ' O ' ' CD1' ' A' ' 58' ' ' PHE . 5.8 mm-40 -43.84 -46.26 7.81 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 120.672 0.272 . . . . 0.0 111.6 -179.679 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.486 ' CD1' ' HB2' ' C' ' 65' ' ' ASP . 15.8 m-85 -149.14 30.38 0.78 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.642 -179.695 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.84 ' CE2' HD11 ' C' ' 63' ' ' LEU . 9.3 m-85 -129.83 71.17 1.44 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.816 179.654 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.462 ' HG3' HD22 ' C' ' 64' ' ' LEU . 1.6 mt-10 -58.51 93.97 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.84 0.352 . . . . 0.0 110.799 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.659 HG23 HG21 ' B' ' 124' ' ' THR . 0.0 OUTLIER -72.92 98.88 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.102 -179.908 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.401 ' HB ' ' HB2' ' C' ' 60' ' ' GLU . 5.5 m -78.94 121.69 25.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.328 179.542 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.514 HD11 ' CZ ' ' C' ' 59' ' ' TYR . 0.1 OUTLIER -93.67 131.58 38.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.033 0.444 . . . . 0.0 111.213 -179.914 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.643 HD23 ' N ' ' A' ' 64' ' ' LEU . 0.1 OUTLIER -115.84 -24.71 8.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.918 -179.887 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.405 ' HB2' ' CB ' ' C' ' 58' ' ' PHE . 0.5 OUTLIER -84.24 5.94 24.64 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.009 179.664 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 12.5 p30 . . . . . 0 C--N 1.332 -0.191 0 CA-C-O 120.711 0.291 . . . . 0.0 111.137 -179.947 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.485 0 N-CA-C 109.329 -1.508 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.419 ' HB2' ' OD2' ' B' ' 130' ' ' ASP . 8.2 tt -91.41 -29.17 17.21 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 114.366 -0.917 . . . . 0.0 109.323 178.29 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 83' ' ' LEU . . . . . 0.947 HD23 ' H ' ' B' ' 84' ' ' ALA . 0.5 OUTLIER -73.18 -43.76 60.92 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.457 179.422 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 1.114 ' HB1' ' HB2' ' B' ' 88' ' ' ALA . . . -79.62 -17.78 53.05 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 114.875 -1.057 . . . . 0.0 111.052 -179.723 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 85' ' ' ALA . . . . . 0.868 ' HB1' ' HB3' ' B' ' 126' ' ' LEU . . . -51.75 -24.49 5.94 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 178.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -127.24 -36.89 2.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.973 178.36 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 87' ' ' ARG . . . . . 0.655 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 17.1 ttt-85 -69.86 -34.75 74.02 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.961 179.726 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 88' ' ' ALA . . . . . 1.114 ' HB2' ' HB1' ' B' ' 84' ' ' ALA . . . -73.45 -41.53 63.09 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.792 -179.698 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 89' ' ' VAL . . . . . 0.649 HG13 ' CD1' ' B' ' 117' ' ' PHE . 40.8 t -69.88 -34.2 59.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.319 179.242 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 90' ' ' SER . . . . . 0.432 ' HA ' ' HB2' ' B' ' 93' ' ' LEU . 1.2 m -75.16 -27.58 59.75 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.598 179.43 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 91' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -66.92 -55.55 14.15 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-O 121.3 0.571 . . . . 0.0 109.697 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 92' ' ' VAL . . . . . 0.898 HG11 HD22 ' A' ' 18' ' ' LEU . 6.8 t -66.54 -27.7 41.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.844 179.095 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 93' ' ' LEU . . . . . 0.742 HD21 ' HA ' ' B' ' 114' ' ' HIS . 2.9 mt -65.86 -35.9 81.95 Favored 'General case' 0 N--CA 1.458 -0.067 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.507 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -81.8 -39.59 23.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.947 0.403 . . . . 0.0 111.067 -179.373 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 95' ' ' SER . . . . . 0.686 ' OG ' HD11 ' A' ' 33' ' ' LEU . 1.2 p -80.08 -20.18 45.76 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.257 -179.444 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 96' ' ' LEU . . . . . 0.525 HD22 HD22 ' B' ' 110' ' ' LEU . 0.1 OUTLIER -34.71 -52.84 0.53 Allowed 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 112.643 0.609 . . . . 0.0 112.643 -179.036 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -71.38 -29.55 65.08 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.005 0.431 . . . . 0.0 111.285 -179.259 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 98' ' ' GLU . . . . . 0.812 ' O ' ' HB3' ' B' ' 101' ' ' ALA . 0.2 OUTLIER -69.95 -33.02 71.56 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 177.76 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 99' ' ' ILE . . . . . 0.562 HG23 HG21 ' B' ' 103' ' ' THR . 13.8 mt -63.01 -49.55 83.12 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.879 0 CA-C-N 114.556 -1.202 . . . . 0.0 109.963 178.642 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 100' ' ' HIS . . . . . 0.857 ' HB2' HD11 ' B' ' 110' ' ' LEU . 1.9 t-160 -56.9 -34.29 67.76 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 177.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 101' ' ' ALA . . . . . 0.812 ' HB3' ' O ' ' B' ' 98' ' ' GLU . . . -55.44 -44.94 76.81 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.432 -1.258 . . . . 0.0 111.667 179.255 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 102' ' ' LEU . . . . . 0.689 HD12 HG23 ' B' ' 103' ' ' THR . 0.3 OUTLIER -117.03 21.51 13.18 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -177.661 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 103' ' ' THR . . . . . 0.689 HG23 HD12 ' B' ' 102' ' ' LEU . 28.4 p -140.32 -5.74 1.23 Allowed 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 179.776 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 45.9 26.7 0.41 Allowed 'General case' 0 CA--C 1.528 0.133 0 CA-C-O 120.851 0.358 . . . . 0.0 111.061 -179.282 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 105' ' ' SER . . . . . 0.449 ' HB3' ' CE1' ' A' ' 21' ' ' TYR . 0.0 OUTLIER -50.54 -83.03 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.991 179.906 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 165.36 105.3 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.286 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -47.3 -34.91 7.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.881 0.372 . . . . 0.0 110.836 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 9.8 tptm -63.1 -47.59 82.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.105 0.479 . . . . 0.0 109.836 179.171 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 109' ' ' ASP . . . . . 0.691 ' O ' HD12 ' B' ' 113' ' ' LEU . 56.4 m-20 -65.19 -37.36 87.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.85 178.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 110' ' ' LEU . . . . . 0.857 HD11 ' HB2' ' B' ' 100' ' ' HIS . 29.6 mt -59.89 -41.49 91.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.152 179.15 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 111' ' ' ASP . . . . . 0.428 ' HA ' ' HD2' ' B' ' 114' ' ' HIS . 0.6 OUTLIER -64.22 -42.1 96.73 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.708 179.851 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -58.42 -37.33 75.15 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.253 179.595 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 113' ' ' LEU . . . . . 0.691 HD12 ' O ' ' B' ' 109' ' ' ASP . 0.5 OUTLIER -76.62 -29.28 56.42 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.739 179.764 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 114' ' ' HIS . . . . . 0.742 ' HA ' HD21 ' B' ' 93' ' ' LEU . 0.0 OUTLIER -62.86 -33.99 76.41 Favored 'General case' 0 CA--C 1.519 -0.249 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 178.526 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 28.5 t -75.98 -38.97 56.87 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 178.608 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 116' ' ' VAL . . . . . 0.823 HG11 ' CB ' ' A' ' 14' ' ' ALA . 25.4 t -61.72 -23.55 31.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.799 178.429 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 117' ' ' PHE . . . . . 0.649 ' CD1' HG13 ' B' ' 89' ' ' VAL . 21.9 m-85 -100.39 -31.47 11.3 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.442 -179.648 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 118' ' ' GLN . . . . . 0.506 ' NE2' ' ND1' ' B' ' 114' ' ' HIS . 0.0 OUTLIER -67.34 -29.34 68.86 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 111.93 0.345 . . . . 0.0 111.93 -178.955 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 119' ' ' ASP . . . . . 0.41 ' HB3' ' HB2' ' B' ' 122' ' ' LEU . 0.4 OUTLIER -43.89 117.75 1.27 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.899 0.381 . . . . 0.0 111.623 -179.306 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -60.78 -44.59 96.6 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.84 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 20.9 m170 -55.45 -33.31 63.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.638 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 122' ' ' LEU . . . . . 0.807 HD22 ' O ' ' B' ' 116' ' ' VAL . 25.7 tp -55.46 -48.65 74.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.762 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 123' ' ' HIS . . . . . 0.942 ' HA ' HD12 ' B' ' 126' ' ' LEU . 0.0 OUTLIER -55.34 -25.78 36.91 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 179.206 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 124' ' ' THR . . . . . 0.659 HG21 HG23 ' A' ' 61' ' ' VAL . 1.4 m -74.85 -37.74 62.15 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.475 178.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 125' ' ' LEU . . . . . 0.852 HD13 HG12 ' A' ' 53' ' ' ILE . 2.1 mt -73.1 -31.99 64.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.499 178.62 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 126' ' ' LEU . . . . . 0.942 HD12 ' HA ' ' B' ' 123' ' ' HIS . 5.7 mt -73.23 -50.44 22.41 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.648 179.705 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -65.43 -42.84 92.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.226 179.466 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 128' ' ' LEU . . . . . 0.907 HD21 ' CD2' ' C' ' 59' ' ' TYR . 80.5 mt -68.49 -33.03 73.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.209 179.348 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 129' ' ' TYR . . . . . 0.55 ' HE1' ' HG ' ' A' ' 46' ' ' SER . 4.5 t80 -58.64 -52.73 64.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.77 -179.618 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 130' ' ' ASP . . . . . 0.419 ' OD2' ' HB2' ' B' ' 82' ' ' LEU . 0.3 OUTLIER -76.74 -26.58 54.75 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.831 -0.347 . . . . 0.0 111.259 179.589 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 131' ' ' LYS . . . . . 0.415 ' HB2' ' HA ' ' B' ' 128' ' ' LEU . 2.1 mmmp? -54.99 -54.05 47.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.634 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 132' ' ' ILE . . . . . 0.758 HD12 ' O ' ' B' ' 128' ' ' LEU . 1.9 mt -75.96 -38.64 36.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 133' ' ' ASN . . . . . 0.529 ' HB2' HD23 ' A' ' 48' ' ' LEU . 27.9 t30 -64.18 -32.03 73.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 67.5 m -84.61 -18.71 34.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.546 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.63 -69.19 0.29 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.945 0.402 . . . . 0.0 110.441 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.713 179.712 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 7' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 1.6 tttm -61.14 -40.37 93.57 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 121.186 0.517 . . . . 0.0 109.741 179.025 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -75.45 -29.67 59.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.284 179.129 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 10' ' ' ASP . . . . . 0.703 ' HB3' HG22 ' D' ' 116' ' ' VAL . 77.2 m-20 -77.54 -29.91 52.53 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.612 179.667 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 11' ' ' THR . . . . . 0.691 HG22 ' HE1' ' C' ' 44' ' ' PHE . 1.1 p -73.72 -44.3 56.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.42 179.601 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 12' ' ' GLN . . . . . 0.57 ' HA ' HD23 ' C' ' 15' ' ' LEU . 0.0 OUTLIER -68.28 -39.36 82.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.424 179.581 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 6.0 tpp85 -74.22 -25.12 59.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.156 179.281 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 14' ' ' ALA . . . . . 0.799 ' CB ' HG11 ' D' ' 116' ' ' VAL . . . -78.61 -48.4 15.19 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.155 179.22 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 15' ' ' LEU . . . . . 0.776 HD22 ' HB3' ' C' ' 44' ' ' PHE . 0.4 OUTLIER -67.51 -26.38 66.32 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.831 179.78 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 16' ' ' HIS . . . . . 0.411 ' HB2' ' O ' ' C' ' 12' ' ' GLN . 3.9 t60 -73.54 -48.14 35.38 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 178.55 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 17' ' ' LEU . . . . . 0.937 HD22 ' CE1' ' C' ' 21' ' ' TYR . 1.3 mt -60.97 -37.87 83.95 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.461 -0.791 . . . . 0.0 109.466 178.625 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 18' ' ' LEU . . . . . 0.883 ' CD2' HG11 ' D' ' 92' ' ' VAL . 23.7 mt -60.55 -50.38 73.76 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.845 -1.071 . . . . 0.0 110.822 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 19' ' ' GLU . . . . . 0.424 ' O ' ' CG ' ' C' ' 22' ' ' ARG . 0.8 OUTLIER -57.87 -36.41 72.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.682 179.942 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 20' ' ' GLU . . . . . 0.504 ' O ' ' HG3' ' C' ' 24' ' ' LYS . 3.2 mt-10 -71.86 -36.61 70.17 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.028 179.529 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 21' ' ' TYR . . . . . 0.937 ' CE1' HD22 ' C' ' 17' ' ' LEU . 7.6 m-30 -64.4 -49.17 72.61 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.461 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 22' ' ' ARG . . . . . 0.439 ' HB2' ' CG ' ' C' ' 34' ' ' ARG . 0.4 OUTLIER -55.85 -42.74 76.28 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 120.801 0.334 . . . . 0.0 110.462 179.28 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 23' ' ' SER . . . . . 0.427 ' O ' ' HG3' ' C' ' 27' ' ' GLN . 1.5 m -63.25 -29.43 70.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.415 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 24' ' ' LYS . . . . . 0.504 ' HG3' ' O ' ' C' ' 20' ' ' GLU . 0.0 OUTLIER -119.64 22.81 11.48 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-O 120.82 0.343 . . . . 0.0 111.391 -179.88 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 25' ' ' LEU . . . . . 0.747 HD23 HD13 ' D' ' 102' ' ' LEU . 0.0 OUTLIER -126.63 -62.52 1.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.778 -179.561 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 26' ' ' SER . . . . . 0.467 ' HB2' ' CD ' ' C' ' 34' ' ' ARG . 30.8 m -69.27 -13.64 62.5 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.435 -178.352 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 27' ' ' GLN . . . . . 0.427 ' HG3' ' O ' ' C' ' 23' ' ' SER . 2.4 mm-40 -83.07 56.71 3.59 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.853 0.358 . . . . 0.0 110.718 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 28' ' ' THR . . . . . 0.456 ' CG2' ' N ' ' C' ' 29' ' ' GLU . 1.6 t -171.61 -50.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.325 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 29' ' ' GLU . . . . . 0.456 ' N ' ' CG2' ' C' ' 28' ' ' THR . 18.9 pt-20 -172.69 27.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.695 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -139.65 48.93 1.81 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.865 0.364 . . . . 0.0 111.403 -179.736 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 31' ' ' ARG . . . . . 0.416 ' NH1' ' OE1' ' C' ' 27' ' ' GLN . 1.0 OUTLIER -59.13 -51.74 68.73 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 121.075 0.464 . . . . 0.0 110.356 179.528 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -55.02 -45.31 75.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.252 0.548 . . . . 0.0 109.7 178.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 33' ' ' LEU . . . . . 0.508 ' CD2' HD11 ' C' ' 25' ' ' LEU . 3.5 tp -54.97 -33.66 62.6 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.899 178.781 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 34' ' ' ARG . . . . . 0.467 ' CD ' ' HB2' ' C' ' 26' ' ' SER . 2.0 ttp180 -60.47 -48.78 80.25 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.361 178.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 47.2 t -55.35 -37.12 67.06 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.86 -1.064 . . . . 0.0 110.781 179.619 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 66.4 m -67.92 -51.86 42.9 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.977 0.418 . . . . 0.0 110.354 179.564 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 37' ' ' ILE . . . . . 0.668 ' O ' HG12 ' C' ' 41' ' ' ILE . 63.6 mt -58.47 -38.44 70.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.273 0.559 . . . . 0.0 109.526 178.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -59.3 -52.45 65.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 114.98 -1.009 . . . . 0.0 111.97 -179.612 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 39' ' ' ARG . . . . . 0.908 ' NH1' HE22 ' D' ' 91' ' ' GLN . 3.9 ptp180 -57.1 -41.38 78.82 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.316 -0.554 . . . . 0.0 110.001 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 40' ' ' VAL . . . . . 0.63 HG12 ' CD2' ' C' ' 44' ' ' PHE . 66.4 t -60.98 -31.61 50.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.482 -0.327 . . . . 0.0 110.285 178.419 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 41' ' ' ILE . . . . . 0.725 HD11 ' CB ' ' C' ' 18' ' ' LEU . 20.0 mm -68.23 -61.16 1.8 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.883 179.476 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 48.0 t -55.41 -46.5 76.63 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-O 121.114 0.483 . . . . 0.0 110.455 -179.652 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 43' ' ' ILE . . . . . 0.464 HG23 ' CE2' ' D' ' 129' ' ' TYR . 8.8 mt -59.99 -33.19 52.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.838 178.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 44' ' ' PHE . . . . . 0.776 ' HB3' HD22 ' C' ' 15' ' ' LEU . 0.3 OUTLIER -71.99 -59.0 2.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.451 179.753 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 45' ' ' GLN . . . . . 0.406 ' HG2' ' O ' ' C' ' 41' ' ' ILE . 19.9 pt20 -75.47 -4.18 38.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.863 -179.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 46' ' ' SER . . . . . 0.411 ' OG ' ' CZ ' ' D' ' 129' ' ' TYR . 0.3 OUTLIER -47.98 137.51 10.08 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.924 0.392 . . . . 0.0 111.17 -179.865 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.12 -39.27 81.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.287 -179.724 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 48' ' ' LEU . . . . . 0.749 ' O ' HD12 ' C' ' 48' ' ' LEU . 2.6 tp -75.38 -45.36 39.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.073 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 49' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -51.17 -53.48 34.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.722 0.296 . . . . 0.0 111.141 -179.667 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 50' ' ' GLN . . . . . 0.538 ' OE1' HD12 ' C' ' 53' ' ' ILE . 20.7 mm-40 -57.35 -38.66 74.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.595 179.53 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.79 -43.1 90.4 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.06 0.457 . . . . 0.0 110.304 179.42 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 1.9 mt -61.46 -44.22 97.49 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.076 179.198 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 53' ' ' ILE . . . . . 0.538 HD12 ' OE1' ' C' ' 50' ' ' GLN . 45.3 mt -54.69 -40.07 49.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.674 179.504 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -66.44 -38.76 88.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.232 179.361 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 55' ' ' ILE . . . . . 0.735 HG22 ' HB2' ' C' ' 59' ' ' TYR . 69.0 mt -59.14 -46.0 92.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.547 179.409 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 56' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -52.06 -24.48 6.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.468 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 57' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -48.83 -30.4 5.71 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.277 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 58' ' ' PHE . . . . . 0.405 ' CB ' ' HB2' ' A' ' 65' ' ' ASP . 54.1 m-85 -155.95 25.19 0.38 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.56 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 59' ' ' TYR . . . . . 0.907 ' CD2' HD21 ' B' ' 128' ' ' LEU . 42.7 m-85 -134.89 72.83 1.46 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.255 179.502 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 60' ' ' GLU . . . . . 0.413 ' HG3' HD21 ' A' ' 64' ' ' LEU . 28.4 mt-10 -60.43 99.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.017 -179.447 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 61' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -72.68 96.68 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.984 0.421 . . . . 0.0 110.296 179.568 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 62' ' ' THR . . . . . 0.402 ' HB ' ' HB2' ' A' ' 60' ' ' GLU . 3.5 m -82.36 120.14 25.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.121 -179.574 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 63' ' ' LEU . . . . . 0.84 HD11 ' CE2' ' A' ' 59' ' ' TYR . 0.9 OUTLIER -89.87 124.51 34.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.139 179.333 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 64' ' ' LEU . . . . . 0.664 ' N ' HD23 ' C' ' 64' ' ' LEU . 0.1 OUTLIER -109.52 -26.43 9.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.256 -179.846 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 65' ' ' ASP . . . . . 0.486 ' HB2' ' CD1' ' A' ' 58' ' ' PHE . 0.1 OUTLIER -142.67 3.86 1.49 Allowed 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -179.822 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 66' ' ' ASN . . . . . 0.521 ' HB3' HD23 ' C' ' 63' ' ' LEU . 4.7 p-10 . . . . . 0 N--CA 1.467 0.4 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.498 0 N-CA-C 110.641 -0.983 . . . . 0.0 110.641 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 82' ' ' LEU . . . . . 0.602 ' N ' HD12 ' D' ' 82' ' ' LEU . 0.5 OUTLIER -92.28 -9.3 42.54 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 178.407 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 83' ' ' LEU . . . . . 0.977 HD23 ' H ' ' D' ' 84' ' ' ALA . 0.4 OUTLIER -75.23 -44.92 43.46 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.881 179.876 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 84' ' ' ALA . . . . . 0.977 ' H ' HD23 ' D' ' 83' ' ' LEU . . . -82.51 -21.08 35.61 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.996 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 85' ' ' ALA . . . . . 0.882 ' HB1' ' HB2' ' D' ' 126' ' ' LEU . . . -52.02 -26.09 9.98 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-O 121.142 0.496 . . . . 0.0 110.179 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 86' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -124.93 -33.36 2.93 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.094 178.801 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 87' ' ' ARG . . . . . 0.727 ' HB3' ' O ' ' D' ' 83' ' ' LEU . 26.9 ttt180 -69.15 -53.5 19.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.664 178.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 88' ' ' ALA . . . . . 0.938 ' HB2' ' HB1' ' D' ' 84' ' ' ALA . . . -57.92 -42.51 84.94 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.783 179.489 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 89' ' ' VAL . . . . . 0.813 HG13 ' CD1' ' D' ' 117' ' ' PHE . 44.0 t -72.58 -56.12 10.89 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.515 179.486 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 90' ' ' SER . . . . . 0.409 ' HA ' ' HB2' ' D' ' 93' ' ' LEU . 63.5 m -58.8 -25.01 62.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.319 179.103 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 91' ' ' GLN . . . . . 0.908 HE22 ' NH1' ' C' ' 39' ' ' ARG . 33.7 mt-30 -66.77 -58.08 5.78 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.773 179.323 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 92' ' ' VAL . . . . . 0.883 HG11 ' CD2' ' C' ' 18' ' ' LEU . 16.9 t -67.76 -27.95 39.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.877 179.277 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 93' ' ' LEU . . . . . 0.718 HD21 ' HA ' ' D' ' 114' ' ' HIS . 2.5 mt -66.34 -33.54 75.96 Favored 'General case' 0 N--CA 1.456 -0.164 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.9 179.252 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -88.16 -30.68 19.61 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.059 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 95' ' ' SER . . . . . 0.489 ' CB ' HD11 ' C' ' 33' ' ' LEU . 0.3 OUTLIER -79.79 -25.17 41.0 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.887 -179.516 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 96' ' ' LEU . . . . . 0.792 HD22 ' CD2' ' D' ' 110' ' ' LEU . 0.2 OUTLIER -41.46 -52.25 3.65 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.011 0.434 . . . . 0.0 111.917 -179.26 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -61.97 -32.54 73.0 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.969 0.414 . . . . 0.0 110.657 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 98' ' ' GLU . . . . . 0.766 ' O ' ' HB3' ' D' ' 101' ' ' ALA . 0.0 OUTLIER -70.76 -37.35 73.38 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 177.935 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 99' ' ' ILE . . . . . 0.646 HD12 HD23 ' D' ' 96' ' ' LEU . 18.8 mt -57.85 -47.93 85.04 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.657 0 CA-C-N 114.464 -1.244 . . . . 0.0 109.685 178.461 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 100' ' ' HIS . . . . . 0.714 ' HB2' HD11 ' D' ' 110' ' ' LEU . 9.5 t-160 -55.96 -41.3 74.51 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-O 122.008 0.909 . . . . 0.0 108.721 178.229 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 101' ' ' ALA . . . . . 0.766 ' HB3' ' O ' ' D' ' 98' ' ' GLU . . . -51.58 -41.11 60.94 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 113.918 -1.492 . . . . 0.0 111.893 179.456 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 102' ' ' LEU . . . . . 0.747 HD13 HD23 ' C' ' 25' ' ' LEU . 0.4 OUTLIER -123.69 35.94 4.74 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 113.183 0.809 . . . . 0.0 113.183 -177.437 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 103' ' ' THR . . . . . 0.638 HG23 HD12 ' D' ' 102' ' ' LEU . 43.3 p -152.99 -37.66 0.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.602 -0.439 . . . . 0.0 111.931 179.502 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 5.3 t0 73.44 30.41 1.49 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.088 0.471 . . . . 0.0 109.899 -178.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 105' ' ' SER . . . . . 0.401 ' O ' ' CB ' ' D' ' 106' ' ' SER . 2.7 m -61.05 -8.62 3.46 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.829 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 106' ' ' SER . . . . . 0.401 ' CB ' ' O ' ' D' ' 105' ' ' SER . 0.3 OUTLIER 78.36 122.79 0.05 OUTLIER 'General case' 0 C--O 1.232 0.176 0 CA-C-O 120.764 0.316 . . . . 0.0 110.604 -179.625 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 107' ' ' GLU . . . . . 0.573 ' HA ' HD12 ' D' ' 110' ' ' LEU . 5.6 mt-10 -55.16 -22.45 17.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.2 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 9.1 mptt -60.98 -55.24 35.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.992 0.425 . . . . 0.0 110.178 179.563 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 109' ' ' ASP . . . . . 0.766 ' O ' HD12 ' D' ' 113' ' ' LEU . 12.4 m-20 -64.67 -33.36 75.76 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.855 178.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 110' ' ' LEU . . . . . 0.792 ' CD2' HD22 ' D' ' 96' ' ' LEU . 95.8 mt -66.19 -41.53 90.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.328 179.378 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 111' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.77 -42.88 99.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.669 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 112' ' ' PHE . . . . . 0.623 ' O ' HG23 ' D' ' 116' ' ' VAL . 2.0 t80 -62.01 -42.91 99.67 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.759 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 113' ' ' LEU . . . . . 0.766 HD12 ' O ' ' D' ' 109' ' ' ASP . 0.5 OUTLIER -73.0 -38.46 66.61 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.792 -179.87 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 114' ' ' HIS . . . . . 0.734 ' CD2' HD12 ' D' ' 96' ' ' LEU . 35.6 m80 -56.36 -34.62 66.81 Favored 'General case' 0 CA--C 1.519 -0.229 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 178.295 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 115' ' ' SER . . . . . . . . . . . . . 30.6 t -75.35 -38.09 60.29 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 178.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 116' ' ' VAL . . . . . 0.862 ' O ' HD22 ' D' ' 122' ' ' LEU . 42.4 t -57.17 -23.47 18.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.768 178.258 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 117' ' ' PHE . . . . . 0.813 ' CD1' HG13 ' D' ' 89' ' ' VAL . 38.1 m-85 -102.88 -38.81 7.23 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.497 -179.717 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 118' ' ' GLN . . . . . 0.415 ' NE2' ' O ' ' D' ' 114' ' ' HIS . 0.0 OUTLIER -56.34 -29.48 61.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.678 -178.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -44.84 127.5 6.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.708 -179.505 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 120' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -70.41 -50.52 37.66 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.662 179.705 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 121' ' ' HIS . . . . . . . . . . . . . 37.3 m-70 -55.61 -33.27 63.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.354 179.199 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 122' ' ' LEU . . . . . 0.862 HD22 ' O ' ' D' ' 116' ' ' VAL . 21.1 tp -55.32 -50.16 70.31 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.991 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 123' ' ' HIS . . . . . 0.598 ' HA ' ' CD1' ' D' ' 126' ' ' LEU . 30.7 m170 -49.95 -29.22 8.0 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 121.129 0.49 . . . . 0.0 110.143 178.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 124' ' ' THR . . . . . 0.663 HG22 HD11 ' D' ' 128' ' ' LEU . 2.8 m -72.69 -36.67 67.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.772 179.186 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 125' ' ' LEU . . . . . 0.618 HD12 HD12 ' D' ' 122' ' ' LEU . 14.3 mt -63.23 -46.56 86.4 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.089 179.664 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 126' ' ' LEU . . . . . 0.882 ' HB2' ' HB1' ' D' ' 85' ' ' ALA . 1.3 mp -65.48 -41.08 93.69 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.012 -179.773 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 127' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -63.53 -44.95 92.73 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.267 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 128' ' ' LEU . . . . . 0.663 HD11 HG22 ' D' ' 124' ' ' THR . 7.0 mt -72.18 -40.62 67.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.349 -179.564 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 129' ' ' TYR . . . . . 0.511 ' O ' HD23 ' C' ' 48' ' ' LEU . 0.3 OUTLIER -55.64 -51.52 66.94 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.06 -179.33 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 130' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -75.83 -26.63 57.36 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.117 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 131' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.47 -51.69 61.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.763 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 132' ' ' ILE . . . . . 0.655 ' HB ' HD21 ' C' ' 48' ' ' LEU . 2.6 mt -71.44 -36.73 61.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 CA-C-O 121.068 0.461 . . . . 0.0 110.584 179.773 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 133' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -61.38 -31.21 71.1 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.977 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 134' ' ' THR . . . . . . . . . . . . . 86.9 m -78.73 -39.76 35.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.956 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 135' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.29 -29.17 68.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.856 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 136' ' ' SER . . . . . . . . . . . . . 42.3 t . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.095 -179.9 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 5.4 mtm-85 . . . . . 0 N--CA 1.455 -0.223 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.3 tptm -63.34 -38.92 93.03 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 179.082 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 17.2 mm100 -74.51 -28.37 60.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.072 179.078 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.598 ' HB3' HG22 ' B' ' 116' ' ' VAL . 69.6 m-20 -79.35 -32.45 43.24 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.552 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.651 HG22 ' HE1' ' A' ' 44' ' ' PHE . 0.9 OUTLIER -72.29 -38.46 68.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.342 179.525 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.411 ' HA ' HD23 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -70.77 -45.3 65.01 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.521 179.481 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.441 ' HB3' ' CZ ' ' B' ' 112' ' ' PHE . 0.0 OUTLIER -67.4 -26.12 66.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.006 179.33 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.888 ' CB ' HG11 ' B' ' 116' ' ' VAL . . . -78.75 -54.22 6.31 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.548 178.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.774 HD22 ' HB3' ' A' ' 44' ' ' PHE . 0.3 OUTLIER -64.98 -27.43 68.83 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.548 179.463 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.405 ' CG ' ' O ' ' A' ' 12' ' ' GLN . 13.3 m170 -72.58 -46.92 51.95 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 178.627 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.882 HD22 ' CZ ' ' A' ' 21' ' ' TYR . 1.5 mt -61.16 -37.92 84.61 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.295 178.595 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.937 ' CD2' HG11 ' B' ' 92' ' ' VAL . 36.5 mt -63.06 -43.19 99.28 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 114.859 -1.064 . . . . 0.0 110.681 179.579 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.432 ' CG ' HG21 ' A' ' 41' ' ' ILE . 12.8 mm-40 -60.43 -38.63 84.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.864 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 0.8 OUTLIER -75.12 -37.28 61.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.472 -179.93 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.882 ' CZ ' HD22 ' A' ' 17' ' ' LEU . 17.3 m-85 -67.32 -47.68 69.81 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.404 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.477 ' HG3' ' N ' ' A' ' 23' ' ' SER . 1.5 ptm180 -58.12 -45.09 87.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.307 179.333 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.477 ' N ' ' HG3' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -56.74 -37.28 70.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.467 179.452 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.678 ' HE2' HG22 ' B' ' 103' ' ' THR . 0.0 OUTLIER -104.04 11.47 35.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.568 179.875 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.893 HD12 HD11 ' A' ' 37' ' ' ILE . 0.1 OUTLIER -97.48 -51.15 4.25 Favored 'General case' 0 C--N 1.333 -0.124 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -179.447 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.7 ' HB2' ' HA ' ' A' ' 31' ' ' ARG . 52.9 p -68.42 -31.13 70.24 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -178.231 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.403 ' OE1' ' OG ' ' A' ' 26' ' ' SER . 0.7 OUTLIER -68.52 57.04 0.08 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.882 0.372 . . . . 0.0 111.422 -178.754 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.679 HG23 ' H ' ' A' ' 29' ' ' GLU . 8.6 t -176.57 -61.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.668 179.536 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.679 ' H ' HG23 ' A' ' 28' ' ' THR . 16.4 pt-20 -176.56 28.64 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.814 -179.338 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.416 ' HB2' HD22 ' A' ' 25' ' ' LEU . 13.8 m-20 -137.8 46.08 2.11 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.011 0.434 . . . . 0.0 110.58 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.7 ' HA ' ' HB2' ' A' ' 26' ' ' SER . 0.0 OUTLIER -63.05 -55.24 27.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.181 -179.52 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 44.7 tp60 -53.05 -44.73 67.67 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.407 0.622 . . . . 0.0 109.562 178.688 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.813 HD21 ' HB3' ' B' ' 95' ' ' SER . 7.7 tp -57.1 -34.66 68.55 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.122 178.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.687 ' HB2' ' HB3' ' A' ' 26' ' ' SER . 2.0 ttt180 -60.36 -43.5 96.45 Favored 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 178.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 28.9 m -55.61 -40.59 72.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.285 -0.871 . . . . 0.0 109.737 178.672 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.498 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.7 OUTLIER -64.09 -51.3 64.67 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.378 179.144 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.893 HD11 HD12 ' A' ' 25' ' ' LEU . 34.6 mt -58.32 -37.65 64.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.187 0.517 . . . . 0.0 109.657 178.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.75 -52.63 63.46 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.546 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.643 ' HG3' ' HB1' ' B' ' 88' ' ' ALA . 4.2 ptp85 -55.63 -34.59 65.06 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.627 -0.429 . . . . 0.0 109.867 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.71 HG12 ' CD2' ' A' ' 44' ' ' PHE . 59.0 t -67.21 -33.12 60.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 109.603 -0.518 . . . . 0.0 109.603 178.091 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.654 HD11 ' HB3' ' A' ' 18' ' ' LEU . 14.7 mm -65.82 -61.04 1.88 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.15 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.403 179.436 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.9 t -56.48 -47.04 80.07 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-O 120.964 0.411 . . . . 0.0 110.624 -179.408 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.429 ' O ' ' CG ' ' A' ' 49' ' ' PHE . 15.5 mt -60.0 -33.47 53.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.89 179.137 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.774 ' HB3' HD22 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -72.11 -59.23 2.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.567 179.622 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -77.32 -3.0 37.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.867 -179.031 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.467 ' CB ' ' CE1' ' B' ' 129' ' ' TYR . 0.6 OUTLIER -47.33 137.74 8.06 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.813 0.34 . . . . 0.0 111.364 -179.755 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -58.66 -34.74 71.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.941 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.757 ' O ' HD12 ' A' ' 48' ' ' LEU . 1.9 tp -79.02 -45.83 19.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.834 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.735 ' HE1' HD11 ' A' ' 53' ' ' ILE . 19.5 t80 -51.44 -50.79 59.05 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.828 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -60.25 -34.45 73.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.069 179.384 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.493 ' HB3' ' O ' ' A' ' 48' ' ' LEU . . . -58.99 -45.68 90.02 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.3 179.312 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.517 HD13 ' O ' ' B' ' 125' ' ' LEU . 1.0 OUTLIER -60.82 -44.06 97.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.269 179.305 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.735 HD11 ' HE1' ' A' ' 49' ' ' PHE . 42.5 mt -54.38 -38.86 41.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.621 179.42 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -69.81 -35.62 74.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.472 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.73 HG22 ' HB2' ' A' ' 59' ' ' TYR . 60.5 mt -59.24 -38.81 76.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.687 179.617 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -53.26 -23.49 9.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.679 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.408 ' O ' ' CD1' ' A' ' 58' ' ' PHE . 14.8 mm-40 -48.87 -33.33 10.45 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.629 -0.259 . . . . 0.0 111.537 -179.49 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.454 ' CE1' ' HB2' ' C' ' 65' ' ' ASP . 11.6 m-85 -154.88 29.86 0.41 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.791 0.329 . . . . 0.0 111.793 -179.737 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.783 ' CE2' HD21 ' D' ' 128' ' ' LEU . 66.5 m-85 -137.5 121.72 18.04 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.433 179.392 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.422 ' HB2' ' HB ' ' C' ' 62' ' ' THR . 0.4 OUTLIER -104.4 94.48 5.36 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.899 -179.909 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.408 ' CG2' HG21 ' B' ' 124' ' ' THR . 0.0 OUTLIER -72.75 97.99 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.972 0.415 . . . . 0.0 110.879 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.409 ' HB ' ' HB2' ' C' ' 60' ' ' GLU . 3.0 m -86.37 113.15 22.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.785 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.427 HD11 ' OH ' ' C' ' 59' ' ' TYR . 0.2 OUTLIER -87.55 125.0 34.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.665 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.66 HD23 ' N ' ' A' ' 64' ' ' LEU . 0.1 OUTLIER -110.92 -17.32 13.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.239 -179.724 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.94 -3.6 45.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.51 -0.313 . . . . 0.0 111.016 179.611 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 10.4 p30 . . . . . 0 C--N 1.333 -0.135 0 CA-C-O 120.838 0.352 . . . . 0.0 111.277 -179.999 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.631 0 N-CA-C 109.894 -1.282 . . . . 0.0 109.894 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.822 HD23 ' N ' ' B' ' 82' ' ' LEU . 0.4 OUTLIER -72.82 -25.4 61.12 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 177.628 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 83' ' ' LEU . . . . . 1.018 HD23 ' H ' ' B' ' 84' ' ' ALA . 0.2 OUTLIER -63.03 -51.92 64.88 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.561 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 1.018 ' H ' HD23 ' B' ' 83' ' ' LEU . . . -77.73 -20.92 52.68 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.538 -0.756 . . . . 0.0 111.497 -179.337 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 85' ' ' ALA . . . . . 0.869 ' HB1' ' HB2' ' B' ' 126' ' ' LEU . . . -52.07 -24.34 6.67 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.283 0.563 . . . . 0.0 109.865 179.255 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -127.11 -38.18 2.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.867 178.514 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 87' ' ' ARG . . . . . 0.76 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 29.8 ttt85 -66.9 -37.76 84.99 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.633 179.394 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 88' ' ' ALA . . . . . 0.915 ' HB2' ' HB1' ' B' ' 84' ' ' ALA . . . -72.2 -46.11 57.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.716 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 89' ' ' VAL . . . . . 0.599 HG12 ' HB3' ' B' ' 117' ' ' PHE . 26.2 t -69.75 -37.66 74.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.241 179.132 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 90' ' ' SER . . . . . 0.426 ' HA ' ' HB2' ' B' ' 93' ' ' LEU . 73.3 m -73.5 -23.75 60.09 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.421 179.182 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 91' ' ' GLN . . . . . 0.433 ' NE2' ' HG2' ' B' ' 87' ' ' ARG . 5.3 mt-30 -68.71 -54.72 14.45 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-O 121.208 0.528 . . . . 0.0 109.637 179.302 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 92' ' ' VAL . . . . . 0.937 HG11 ' CD2' ' A' ' 18' ' ' LEU . 4.7 t -68.65 -28.03 38.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.318 -0.856 . . . . 0.0 109.977 179.141 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 93' ' ' LEU . . . . . 0.703 HD21 ' HA ' ' B' ' 114' ' ' HIS . 2.9 mt -66.34 -35.79 81.26 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.893 179.504 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -85.87 -33.03 21.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.881 0.372 . . . . 0.0 111.079 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 95' ' ' SER . . . . . 0.813 ' HB3' HD21 ' A' ' 33' ' ' LEU . 3.2 m -80.04 -21.6 43.31 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.045 -0.525 . . . . 0.0 112.015 -179.582 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 96' ' ' LEU . . . . . 0.82 HD22 ' CD2' ' B' ' 110' ' ' LEU . 0.2 OUTLIER -41.29 -48.42 3.6 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.028 0.442 . . . . 0.0 111.99 -179.462 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -64.49 -33.55 76.15 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.981 -179.431 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 98' ' ' GLU . . . . . 0.81 ' OE2' HD21 ' B' ' 102' ' ' LEU . 0.0 OUTLIER -70.0 -40.14 75.46 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 178.386 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 99' ' ' ILE . . . . . 0.632 HG23 HG21 ' B' ' 103' ' ' THR . 40.3 mt -54.78 -49.55 68.14 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.701 0 CA-C-N 114.772 -1.104 . . . . 0.0 109.939 178.367 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 100' ' ' HIS . . . . . 0.898 ' HB2' HD11 ' B' ' 110' ' ' LEU . 0.8 OUTLIER -54.86 -40.95 70.21 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-O 121.982 0.896 . . . . 0.0 108.736 178.426 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 101' ' ' ALA . . . . . 0.781 ' HB3' ' O ' ' B' ' 98' ' ' GLU . . . -53.49 -39.32 64.46 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 113.81 -1.541 . . . . 0.0 112.105 179.615 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 102' ' ' LEU . . . . . 0.81 HD21 ' OE2' ' B' ' 98' ' ' GLU . 0.4 OUTLIER -126.0 27.6 6.29 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -177.14 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 103' ' ' THR . . . . . 0.692 HG23 HD12 ' B' ' 102' ' ' LEU . 43.0 p -143.71 -26.59 0.55 Allowed 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 179.524 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 20.5 t0 66.71 25.93 9.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.071 0.462 . . . . 0.0 110.252 -179.305 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 105' ' ' SER . . . . . 0.477 ' HB3' ' CE1' ' A' ' 21' ' ' TYR . 53.0 p -56.12 -22.06 26.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.386 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 106' ' ' SER . . . . . 0.442 ' CB ' ' O ' ' B' ' 105' ' ' SER . 2.2 t 84.05 130.31 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.428 -179.343 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 107' ' ' GLU . . . . . 0.645 ' HA ' HD12 ' B' ' 110' ' ' LEU . 3.3 tt0 -58.81 -19.19 38.94 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.43 -179.492 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -65.8 -55.51 16.78 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.965 0.412 . . . . 0.0 110.22 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 109' ' ' ASP . . . . . 0.699 ' O ' HD12 ' B' ' 113' ' ' LEU . 8.2 m-20 -62.93 -35.99 81.92 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.371 -0.604 . . . . 0.0 109.371 178.797 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 110' ' ' LEU . . . . . 0.898 HD11 ' HB2' ' B' ' 100' ' ' HIS . 93.6 mt -62.29 -50.45 71.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.029 179.191 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -53.8 -40.83 66.66 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.843 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 112' ' ' PHE . . . . . 0.789 ' O ' HG23 ' B' ' 116' ' ' VAL . 1.7 t80 -64.59 -37.43 87.55 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.844 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 113' ' ' LEU . . . . . 0.699 HD12 ' O ' ' B' ' 109' ' ' ASP . 0.5 OUTLIER -79.07 -33.05 44.95 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.744 -0.382 . . . . 0.0 111.222 -179.78 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 114' ' ' HIS . . . . . 0.703 ' HA ' HD21 ' B' ' 93' ' ' LEU . 52.8 m80 -62.42 -34.19 76.28 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 177.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 115' ' ' SER . . . . . 0.422 ' HA ' ' HB2' ' B' ' 118' ' ' GLN . 0.7 OUTLIER -74.6 -40.3 61.66 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.134 178.646 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 116' ' ' VAL . . . . . 0.888 HG11 ' CB ' ' A' ' 14' ' ' ALA . 50.9 t -60.37 -23.33 27.68 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.907 178.424 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 117' ' ' PHE . . . . . 0.691 ' CZ ' HD11 ' A' ' 18' ' ' LEU . 7.5 m-30 -105.59 -20.87 13.33 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.534 -179.687 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 118' ' ' GLN . . . . . 0.57 HE22 ' HB3' ' B' ' 114' ' ' HIS . 0.0 OUTLIER -72.97 -30.69 64.02 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.742 0.306 . . . . 0.0 111.276 -179.655 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -42.93 130.16 4.33 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.794 -179.41 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -71.15 -48.69 50.43 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.671 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -55.87 -33.85 64.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.37 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 122' ' ' LEU . . . . . 0.823 HD22 ' O ' ' B' ' 116' ' ' VAL . 39.9 tp -55.67 -49.25 73.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 109.916 179.566 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 123' ' ' HIS . . . . . 0.808 ' HA ' HD12 ' B' ' 126' ' ' LEU . 23.4 m170 -52.11 -27.41 14.04 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.184 179.04 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 124' ' ' THR . . . . . 0.434 HG22 HD11 ' B' ' 128' ' ' LEU . 7.2 m -77.02 -32.67 57.25 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.019 179.291 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 125' ' ' LEU . . . . . 0.771 HD12 HD12 ' B' ' 122' ' ' LEU . 20.5 mt -65.86 -41.34 91.78 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.991 179.724 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 126' ' ' LEU . . . . . 0.869 ' HB2' ' HB1' ' B' ' 85' ' ' ALA . 0.4 OUTLIER -73.05 -45.14 59.18 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.265 -179.705 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.03 -46.55 82.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.932 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 128' ' ' LEU . . . . . 0.881 HD21 ' CD2' ' C' ' 59' ' ' TYR . 21.9 mt -70.83 -43.61 68.19 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.152 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 129' ' ' TYR . . . . . 0.467 ' CE1' ' CB ' ' A' ' 46' ' ' SER . 0.2 OUTLIER -55.72 -51.63 66.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.125 -179.518 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 130' ' ' ASP . . . . . 0.601 ' HB3' HD23 ' B' ' 82' ' ' LEU . 25.2 m-20 -76.11 -21.77 56.28 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.268 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 131' ' ' LYS . . . . . 0.503 ' HG2' HD13 ' B' ' 82' ' ' LEU . 8.0 mmtt -70.51 -46.07 64.4 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.803 0.335 . . . . 0.0 110.859 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 132' ' ' ILE . . . . . 0.565 HD12 ' O ' ' B' ' 128' ' ' LEU . 2.7 mt -74.97 -37.94 42.25 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 CA-C-O 120.99 0.424 . . . . 0.0 110.94 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 133' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -63.77 -28.68 70.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.052 -179.611 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 134' ' ' THR . . . . . 0.556 HG22 ' O ' ' B' ' 134' ' ' THR . 62.4 m -86.06 5.57 32.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.593 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.4 -40.89 4.77 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.967 0.413 . . . . 0.0 110.923 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.904 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 7' ' ' ARG . . . . . 0.46 ' HG3' HG23 ' C' ' 11' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 110.364 -0.236 . . . . 0.0 110.364 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 4.3 mmpt? -65.66 -32.6 74.26 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 121.047 0.451 . . . . 0.0 109.934 179.202 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 51.8 mm-40 -78.22 -30.81 49.03 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.746 178.634 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 10' ' ' ASP . . . . . 0.753 ' HB3' HG22 ' D' ' 116' ' ' VAL . 2.9 m-20 -81.29 -29.9 34.15 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.612 179.74 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 11' ' ' THR . . . . . 0.649 HG22 ' HE1' ' C' ' 44' ' ' PHE . 5.9 p -76.82 -37.23 56.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.248 179.674 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 12' ' ' GLN . . . . . 0.424 ' O ' ' CG ' ' C' ' 16' ' ' HIS . 0.1 OUTLIER -73.09 -41.92 63.56 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.189 179.399 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 16.0 ttt180 -72.21 -24.95 61.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.937 178.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 14' ' ' ALA . . . . . 0.821 ' CB ' HG11 ' D' ' 116' ' ' VAL . . . -78.65 -53.73 6.85 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.7 178.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 15' ' ' LEU . . . . . 0.795 HD22 ' HB3' ' C' ' 44' ' ' PHE . 0.4 OUTLIER -66.72 -24.64 66.26 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.654 179.551 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 16' ' ' HIS . . . . . 0.424 ' CG ' ' O ' ' C' ' 12' ' ' GLN . 15.2 m170 -73.33 -46.87 46.84 Favored 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 178.48 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 17' ' ' LEU . . . . . 0.953 HD22 ' CE1' ' C' ' 21' ' ' TYR . 1.4 mt -62.14 -37.58 85.69 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.176 178.45 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 18' ' ' LEU . . . . . 0.735 ' CB ' HD11 ' C' ' 41' ' ' ILE . 43.0 mt -61.38 -40.65 95.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.831 -1.077 . . . . 0.0 110.567 179.537 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -62.3 -47.74 82.96 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.635 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -70.67 -31.17 67.98 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.878 179.322 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 21' ' ' TYR . . . . . 0.953 ' CE1' HD22 ' C' ' 17' ' ' LEU . 5.8 m-30 -67.76 -46.74 71.2 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.5 179.595 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 22' ' ' ARG . . . . . 0.421 ' HG3' ' N ' ' C' ' 23' ' ' SER . 0.2 OUTLIER -62.21 -38.97 91.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.877 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 23' ' ' SER . . . . . 0.421 ' N ' ' HG3' ' C' ' 22' ' ' ARG . 0.3 OUTLIER -63.82 -38.55 91.53 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.781 179.932 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 24' ' ' LYS . . . . . . . . . . . . . 6.2 ptmt -90.39 -18.79 24.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.445 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 25' ' ' LEU . . . . . 0.911 HD12 HD11 ' C' ' 37' ' ' ILE . 0.2 OUTLIER -73.0 -65.26 0.82 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.087 0.47 . . . . 0.0 110.834 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 26' ' ' SER . . . . . 0.508 ' HB3' ' HB2' ' C' ' 34' ' ' ARG . 4.0 p -60.85 -149.44 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.055 -179.665 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 27' ' ' GLN . . . . . 0.413 ' OE1' ' NH1' ' C' ' 31' ' ' ARG . 0.0 OUTLIER 47.7 27.86 1.15 Allowed 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.552 -0.294 . . . . 0.0 111.152 179.846 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 28' ' ' THR . . . . . 0.53 HG23 ' N ' ' C' ' 29' ' ' GLU . 6.4 t -150.8 -55.86 0.16 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.656 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 29' ' ' GLU . . . . . 0.53 ' N ' HG23 ' C' ' 28' ' ' THR . 13.2 pt-20 -177.59 26.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.648 -179.61 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -145.78 54.24 1.17 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.13 0.49 . . . . 0.0 110.854 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 31' ' ' ARG . . . . . 0.413 ' NH1' ' OE1' ' C' ' 27' ' ' GLN . 11.7 mmm180 -64.56 -46.47 82.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.135 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -58.34 -49.06 78.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.948 179.059 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 33' ' ' LEU . . . . . 0.78 HD21 ' HB3' ' D' ' 95' ' ' SER . 13.4 tp -54.01 -35.87 62.37 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.138 179.102 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 34' ' ' ARG . . . . . 0.508 ' HB2' ' HB3' ' C' ' 26' ' ' SER . 5.0 ttp180 -60.5 -42.29 96.05 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.284 178.774 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 29.7 t -60.83 -33.48 73.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.238 179.046 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 36' ' ' SER . . . . . 0.581 ' O ' HG23 ' C' ' 40' ' ' VAL . 67.5 m -68.27 -51.51 44.19 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 121.197 0.523 . . . . 0.0 110.329 179.439 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 37' ' ' ILE . . . . . 0.911 HD11 HD12 ' C' ' 25' ' ' LEU . 36.5 mt -58.81 -40.16 79.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.826 -0.624 . . . . 0.0 109.713 179.003 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.03 -52.06 65.48 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.982 -1.008 . . . . 0.0 112.031 -179.7 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 39' ' ' ARG . . . . . 0.9 ' NH1' HE22 ' D' ' 91' ' ' GLN . 6.5 ptp180 -57.25 -33.76 67.92 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.483 -0.487 . . . . 0.0 110.263 -179.627 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 40' ' ' VAL . . . . . 0.762 HG12 ' CD2' ' C' ' 44' ' ' PHE . 64.6 t -67.24 -34.95 72.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 178.282 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 41' ' ' ILE . . . . . 0.735 HD11 ' CB ' ' C' ' 18' ' ' LEU . 20.1 mm -61.37 -58.9 5.46 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.108 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.289 179.474 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 11.5 t -56.17 -47.89 77.42 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-O 120.978 0.418 . . . . 0.0 110.684 -179.435 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 43' ' ' ILE . . . . . 0.407 ' O ' ' CG ' ' C' ' 49' ' ' PHE . 21.4 mt -59.7 -32.65 49.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.84 178.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 44' ' ' PHE . . . . . 0.795 ' HB3' HD22 ' C' ' 15' ' ' LEU . 0.4 OUTLIER -72.46 -59.52 2.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.947 179.813 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 45' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -79.45 0.2 30.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.995 -178.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 46' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.06 168.66 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.823 0.345 . . . . 0.0 111.21 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -79.56 -47.92 14.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.177 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 48' ' ' LEU . . . . . 0.851 HD12 ' HA ' ' D' ' 129' ' ' TYR . 0.4 OUTLIER -66.91 -42.66 85.04 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.536 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 49' ' ' PHE . . . . . 0.501 ' CE2' HD11 ' C' ' 53' ' ' ILE . 8.9 t80 -50.81 -56.16 13.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.352 -179.442 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -54.19 -39.8 66.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.826 0.346 . . . . 0.0 110.718 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 51' ' ' ALA . . . . . 0.544 ' HB1' HG23 ' B' ' 132' ' ' ILE . . . -59.45 -47.33 85.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.886 179.7 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 52' ' ' LEU . . . . . 0.7 HD12 HD12 ' C' ' 48' ' ' LEU . 0.6 OUTLIER -62.6 -47.91 81.73 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.556 179.699 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 53' ' ' ILE . . . . . 0.76 HG12 HD13 ' D' ' 125' ' ' LEU . 18.8 mt -54.51 -31.27 22.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.448 179.605 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.86 -41.23 68.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.217 179.299 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 55' ' ' ILE . . . . . 0.76 HG22 ' HB2' ' C' ' 59' ' ' TYR . 63.7 mt -61.39 -35.2 64.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.629 179.479 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.62 -21.61 4.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.533 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 57' ' ' GLU . . . . . 0.407 ' O ' ' CD2' ' C' ' 58' ' ' PHE . 12.7 pt-20 -43.89 -41.16 5.01 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-O 120.799 0.333 . . . . 0.0 111.531 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 58' ' ' PHE . . . . . 0.407 ' CD2' ' O ' ' C' ' 57' ' ' GLU . 89.2 m-85 -157.51 39.2 0.29 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.429 -179.76 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 59' ' ' TYR . . . . . 0.881 ' CD2' HD21 ' B' ' 128' ' ' LEU . 55.2 m-85 -136.84 81.91 1.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.572 179.533 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 60' ' ' GLU . . . . . 0.409 ' HB2' ' HB ' ' A' ' 62' ' ' THR . 0.0 OUTLIER -69.54 90.28 0.54 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.202 -179.677 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 61' ' ' VAL . . . . . 0.549 HG23 HG21 ' D' ' 124' ' ' THR . 0.0 OUTLIER -73.0 102.56 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.979 0.419 . . . . 0.0 110.596 179.458 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 62' ' ' THR . . . . . 0.422 ' HB ' ' HB2' ' A' ' 60' ' ' GLU . 1.2 m -90.8 115.01 27.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.167 -179.518 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 63' ' ' LEU . . . . . 0.66 HD11 ' ND2' ' C' ' 66' ' ' ASN . 0.5 OUTLIER -83.16 139.79 32.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.144 179.121 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 64' ' ' LEU . . . . . 0.745 ' N ' HD23 ' C' ' 64' ' ' LEU . 0.1 OUTLIER -120.1 -40.73 2.69 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 -179.285 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 65' ' ' ASP . . . . . 0.454 ' HB2' ' CE1' ' A' ' 58' ' ' PHE . 0.3 OUTLIER -161.28 21.04 0.12 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.295 0.479 . . . . 0.0 112.295 -179.268 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 66' ' ' ASN . . . . . 0.66 ' ND2' HD11 ' C' ' 63' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.575 0 CA-C-O 120.745 0.307 . . . . 0.0 110.605 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 81' ' ' GLY . . . . . 0.819 ' O ' ' HB2' ' D' ' 85' ' ' ALA . . . . . . . . 0 N--CA 1.449 -0.447 0 N-CA-C 111.887 -0.485 . . . . 0.0 111.887 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 82' ' ' LEU . . . . . 0.54 HD12 ' HB3' ' D' ' 130' ' ' ASP . 4.9 mp -94.33 -19.27 20.81 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.787 0.327 . . . . 0.0 110.704 179.619 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 83' ' ' LEU . . . . . 0.87 HD23 ' H ' ' D' ' 84' ' ' ALA . 0.3 OUTLIER -76.0 -41.5 51.0 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.271 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 84' ' ' ALA . . . . . 0.967 ' HB1' ' HB2' ' D' ' 88' ' ' ALA . . . -96.5 -16.34 21.18 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.743 -178.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 85' ' ' ALA . . . . . 0.868 ' HB1' ' CB ' ' D' ' 126' ' ' LEU . . . -51.08 -28.14 9.81 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.104 0.478 . . . . 0.0 110.104 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 86' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -121.62 -40.35 2.56 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.573 178.593 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 87' ' ' ARG . . . . . 0.796 ' HB3' ' O ' ' D' ' 83' ' ' LEU . 32.1 ttt180 -59.55 -54.36 47.43 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.129 178.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 88' ' ' ALA . . . . . 0.967 ' HB2' ' HB1' ' D' ' 84' ' ' ALA . . . -56.92 -44.49 82.48 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.749 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 89' ' ' VAL . . . . . 0.528 HG12 ' HB3' ' D' ' 117' ' ' PHE . 41.4 t -68.79 -33.26 58.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.796 178.654 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 90' ' ' SER . . . . . 0.447 ' HA ' ' HB2' ' D' ' 93' ' ' LEU . 19.2 t -76.19 -26.17 55.91 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.644 179.343 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 91' ' ' GLN . . . . . 0.9 HE22 ' NH1' ' C' ' 39' ' ' ARG . 93.3 mt-30 -66.37 -56.99 8.43 Favored 'General case' 0 CA--C 1.515 -0.383 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.241 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 92' ' ' VAL . . . . . 0.732 HG11 ' CD2' ' C' ' 18' ' ' LEU . 4.5 t -65.18 -28.05 43.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.044 179.106 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 93' ' ' LEU . . . . . 0.703 HD21 ' HA ' ' D' ' 114' ' ' HIS . 4.1 mt -68.81 -31.84 71.12 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.399 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.51 -43.55 13.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.887 0.375 . . . . 0.0 111.051 -179.414 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 95' ' ' SER . . . . . 0.78 ' HB3' HD21 ' C' ' 33' ' ' LEU . 0.5 OUTLIER -79.47 -12.34 59.88 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.778 -179.662 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 96' ' ' LEU . . . . . 0.738 HD13 ' HB3' ' D' ' 110' ' ' LEU . 0.1 OUTLIER -38.33 -51.83 1.52 Allowed 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.977 0.418 . . . . 0.0 112.05 -179.636 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -69.76 -29.82 67.25 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.174 -179.241 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 98' ' ' GLU . . . . . 0.825 ' O ' ' HB3' ' D' ' 101' ' ' ALA . 0.1 OUTLIER -69.72 -34.14 73.47 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 177.927 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 99' ' ' ILE . . . . . 0.511 ' O ' ' OG1' ' D' ' 103' ' ' THR . 42.1 mt -61.9 -49.91 82.28 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.888 0 CA-C-N 114.464 -1.244 . . . . 0.0 109.888 178.61 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 100' ' ' HIS . . . . . 0.899 ' HB2' HD11 ' D' ' 110' ' ' LEU . 0.1 OUTLIER -56.24 -34.72 66.62 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 178.138 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 101' ' ' ALA . . . . . 0.825 ' HB3' ' O ' ' D' ' 98' ' ' GLU . . . -54.74 -44.3 73.44 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 114.585 -1.188 . . . . 0.0 111.359 179.138 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 102' ' ' LEU . . . . . 0.754 HD21 ' OE2' ' D' ' 98' ' ' GLU . 0.4 OUTLIER -118.38 25.07 10.54 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.801 -177.7 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 103' ' ' THR . . . . . 0.663 HG23 HD12 ' D' ' 102' ' ' LEU . 53.5 p -144.75 -3.49 0.79 Allowed 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 2.1 t70 57.57 20.18 5.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.911 0.386 . . . . 0.0 110.847 -179.263 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 105' ' ' SER . . . . . 0.473 ' HB2' ' CZ ' ' C' ' 21' ' ' TYR . 11.4 p -80.35 72.93 7.23 Favored 'General case' 0 CA--C 1.512 -0.494 0 CA-C-O 121.68 0.752 . . . . 0.0 109.979 179.228 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 106' ' ' SER . . . . . 0.431 ' C ' ' O ' ' D' ' 105' ' ' SER . 11.3 t -20.45 134.77 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 113.761 -1.563 . . . . 0.0 112.67 -179.416 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 107' ' ' GLU . . . . . 0.496 ' HA ' HD12 ' D' ' 110' ' ' LEU . 39.9 tt0 -50.78 -25.51 4.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.914 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.12 -55.0 36.08 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 121.13 0.49 . . . . 0.0 110.034 179.418 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 109' ' ' ASP . . . . . 0.574 ' O ' HD12 ' D' ' 113' ' ' LEU . 54.4 m-20 -63.26 -41.29 99.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.645 178.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 110' ' ' LEU . . . . . 0.899 HD11 ' HB2' ' D' ' 100' ' ' HIS . 91.7 mt -60.53 -32.97 71.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.189 179.033 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 111' ' ' ASP . . . . . 0.555 ' HA ' ' CD2' ' D' ' 114' ' ' HIS . 9.7 t0 -66.43 -47.14 74.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.811 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 112' ' ' PHE . . . . . 0.456 ' O ' HG23 ' D' ' 116' ' ' VAL . 1.1 t80 -58.79 -38.33 78.31 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.528 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 113' ' ' LEU . . . . . 0.698 HD11 ' CD1' ' C' ' 17' ' ' LEU . 0.5 OUTLIER -76.51 -29.07 56.63 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.041 -179.773 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 114' ' ' HIS . . . . . 0.703 ' HA ' HD21 ' D' ' 93' ' ' LEU . 0.0 OUTLIER -64.45 -34.4 78.1 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.498 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 115' ' ' SER . . . . . . . . . . . . . 7.7 t -74.95 -37.65 61.91 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 178.447 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 116' ' ' VAL . . . . . 0.839 ' O ' HD22 ' D' ' 122' ' ' LEU . 27.2 t -62.79 -23.64 33.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.764 178.292 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 117' ' ' PHE . . . . . 0.635 ' CZ ' HD11 ' C' ' 18' ' ' LEU . 11.7 m-30 -103.55 -24.54 13.41 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.398 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 118' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.59 -29.97 65.3 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.819 0.342 . . . . 0.0 111.336 -179.638 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -44.21 119.82 1.94 Allowed 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.593 -179.531 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 120' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.05 -45.25 93.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.682 179.697 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 121' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -56.47 -34.28 66.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.701 179.633 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 122' ' ' LEU . . . . . 0.839 HD22 ' O ' ' D' ' 116' ' ' VAL . 55.4 tp -55.76 -49.12 73.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.398 179.736 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 123' ' ' HIS . . . . . 0.958 ' HA ' HD12 ' D' ' 126' ' ' LEU . 0.0 OUTLIER -52.54 -26.57 13.55 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.13 0.49 . . . . 0.0 109.916 179.007 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 124' ' ' THR . . . . . 0.624 HG22 HD11 ' D' ' 128' ' ' LEU . 3.2 m -77.44 -34.4 54.53 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.978 179.181 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 125' ' ' LEU . . . . . 0.76 HD13 HG12 ' C' ' 53' ' ' ILE . 13.9 mt -67.46 -37.34 82.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.661 179.688 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 126' ' ' LEU . . . . . 0.958 HD12 ' HA ' ' D' ' 123' ' ' HIS . 0.4 OUTLIER -73.03 -46.71 50.34 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.109 -179.853 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 127' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -57.44 -53.11 61.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.018 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 128' ' ' LEU . . . . . 0.783 HD21 ' CE2' ' A' ' 59' ' ' TYR . 7.3 mt -68.86 -29.14 67.39 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.501 179.607 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 129' ' ' TYR . . . . . 0.851 ' HA ' HD12 ' C' ' 48' ' ' LEU . 1.1 t80 -55.3 -53.1 60.38 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.42 -179.168 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 130' ' ' ASP . . . . . 0.54 ' HB3' HD12 ' D' ' 82' ' ' LEU . 3.5 t70 -77.73 -32.24 52.69 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.209 179.635 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 131' ' ' LYS . . . . . 0.407 ' HB2' ' HA ' ' D' ' 128' ' ' LEU . 9.6 mmtp -54.54 -52.95 60.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.27 -179.527 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 132' ' ' ILE . . . . . 0.444 ' HB ' HD21 ' C' ' 48' ' ' LEU . 4.0 mt -77.6 -38.36 25.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.903 0.382 . . . . 0.0 110.85 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 133' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 -66.45 -25.85 66.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.277 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 134' ' ' THR . . . . . . . . . . . . . 85.2 m -95.0 -30.12 14.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.352 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 135' ' ' LYS . . . . . 0.401 ' HD3' ' CB ' ' A' ' 51' ' ' ALA . 1.4 mttp -59.99 -62.58 1.77 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.056 0.455 . . . . 0.0 111.19 -179.835 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 136' ' ' SER . . . . . . . . . . . . . 3.6 m . . . . . 0 C--N 1.326 -0.428 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.146 -179.867 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.6 mtm-85 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.14 -38.31 90.6 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 121.079 0.466 . . . . 0.0 109.749 179.157 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -77.52 -29.59 52.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.079 179.124 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.784 ' HB3' HG22 ' B' ' 116' ' ' VAL . 1.1 m-20 -78.77 -29.43 45.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.989 179.373 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.636 HG23 ' CE2' ' A' ' 44' ' ' PHE . 52.3 m -73.16 -49.23 29.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.408 179.673 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.573 ' HA ' HD23 ' A' ' 15' ' ' LEU . 0.8 OUTLIER -69.72 -33.51 72.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.89 0.376 . . . . 0.0 110.143 179.544 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.94 -24.22 55.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.957 178.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.821 ' CB ' HG11 ' B' ' 116' ' ' VAL . . . -78.43 -54.9 5.68 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.554 178.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.851 HD22 ' HB3' ' A' ' 44' ' ' PHE . 0.3 OUTLIER -62.95 -26.37 68.79 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.749 179.352 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 9.3 m170 -73.33 -44.94 57.93 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 178.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.827 HD22 ' CZ ' ' A' ' 21' ' ' TYR . 2.8 mt -62.59 -38.45 90.18 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.738 178.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.637 ' HB3' HG23 ' A' ' 37' ' ' ILE . 12.5 mt -63.58 -40.27 96.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.627 179.532 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -60.61 -44.66 96.05 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.15 0.5 . . . . 0.0 110.635 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -69.11 -29.49 67.57 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.801 179.35 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.827 ' CZ ' HD22 ' A' ' 17' ' ' LEU . 21.6 m-30 -72.04 -48.6 43.24 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.595 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.6 ptt85 -55.58 -39.46 70.73 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.855 0.359 . . . . 0.0 110.178 179.33 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.64 -46.34 90.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.576 179.221 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.714 ' O ' HG22 ' B' ' 103' ' ' THR . 10.3 ptmt -98.92 16.19 23.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.91 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.914 HD12 HD11 ' A' ' 37' ' ' ILE . 0.0 OUTLIER -111.3 -66.26 1.1 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.736 0.303 . . . . 0.0 111.334 -179.385 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.519 ' HB2' ' HB2' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -63.88 -14.92 57.3 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.156 -0.474 . . . . 0.0 112.226 -178.735 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.425 ' OE1' ' NH1' ' A' ' 31' ' ' ARG . 0.2 OUTLIER -76.14 57.28 1.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.858 0.361 . . . . 0.0 110.918 -179.735 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.617 HG22 ' O ' ' A' ' 25' ' ' LEU . 9.0 t -176.38 -58.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.835 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.616 ' N ' HG23 ' A' ' 28' ' ' THR . 12.0 pt-20 -170.76 28.78 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.07 -0.513 . . . . 0.0 112.202 -178.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.415 ' CB ' HD22 ' A' ' 25' ' ' LEU . 0.5 OUTLIER -137.45 43.76 2.29 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.853 0.359 . . . . 0.0 111.459 -179.878 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.459 ' HA ' ' HB2' ' A' ' 26' ' ' SER . 18.0 mmm180 -55.54 -49.41 72.74 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-O 121.179 0.514 . . . . 0.0 110.311 179.49 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -56.0 -46.65 78.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.841 179.076 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.716 HD21 ' HB2' ' B' ' 95' ' ' SER . 4.1 tp -54.65 -32.15 58.62 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.852 178.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.519 ' HB2' ' HB2' ' A' ' 26' ' ' SER . 0.2 OUTLIER -60.66 -48.11 83.24 Favored 'General case' 0 CA--C 1.513 -0.451 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 178.529 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.34 -36.37 63.74 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.867 179.032 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.474 ' O ' ' HB2' ' A' ' 39' ' ' ARG . 1.4 m -67.31 -51.24 54.93 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.234 0.54 . . . . 0.0 109.901 178.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.914 HD11 HD12 ' A' ' 25' ' ' LEU . 56.6 mt -56.09 -40.97 67.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.938 -0.573 . . . . 0.0 109.621 178.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -59.11 -39.99 83.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.507 179.404 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.477 ' HB3' ' CB ' ' B' ' 88' ' ' ALA . 6.9 mtt180 -55.56 -53.56 54.91 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 121.322 0.582 . . . . 0.0 109.871 179.181 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.475 ' O ' ' CD1' ' A' ' 44' ' ' PHE . 42.1 t -59.89 -32.36 49.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.895 -179.765 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.756 HG22 ' OE1' ' A' ' 45' ' ' GLN . 4.3 mm -71.02 -49.88 46.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 C-N-CA 120.897 -0.321 . . . . 0.0 111.135 179.563 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.6 p -65.35 -48.26 73.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.839 0.352 . . . . 0.0 110.953 -179.269 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.834 HG23 ' CE2' ' B' ' 129' ' ' TYR . 5.4 mt -59.89 -34.55 56.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.335 179.445 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.851 ' HB3' HD22 ' A' ' 15' ' ' LEU . 3.9 m-85 -72.23 -54.04 10.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.676 178.818 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.756 ' OE1' HG22 ' A' ' 41' ' ' ILE . 71.2 mt-30 -56.55 -46.22 80.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.773 -179.292 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.477 ' CB ' ' CE1' ' B' ' 129' ' ' TYR . 0.1 OUTLIER -27.91 113.71 0.07 Allowed 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.856 -179.317 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -47.84 -27.28 2.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.932 -179.319 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.688 ' O ' HD12 ' A' ' 48' ' ' LEU . 1.8 tp -72.12 -48.25 45.1 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 120.678 -0.409 . . . . 0.0 109.907 179.603 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.497 ' CE1' HD23 ' B' ' 126' ' ' LEU . 52.6 t80 -52.02 -40.26 60.78 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.98 179.158 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.41 ' OE1' ' N ' ' A' ' 50' ' ' GLN . 4.7 mp0 -63.85 -41.06 97.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.033 178.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.48 ' HB2' ' HG2' ' D' ' 135' ' ' LYS . . . -58.68 -48.04 82.45 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.797 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.504 HD21 ' HB3' ' B' ' 128' ' ' LEU . 0.8 OUTLIER -57.55 -45.21 85.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.949 0.404 . . . . 0.0 110.36 179.528 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.766 HG12 HD13 ' B' ' 125' ' ' LEU . 77.1 mt -55.35 -38.05 46.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.396 179.227 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -73.95 -38.0 64.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.709 179.23 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.663 HG22 ' HB2' ' A' ' 59' ' ' TYR . 64.7 mt -62.07 -46.15 97.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.214 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -51.1 -22.32 2.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.627 -179.571 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -46.7 -35.66 6.31 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.74 0.305 . . . . 0.0 111.145 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.414 ' CG ' ' HB2' ' C' ' 65' ' ' ASP . 59.6 m-85 -151.7 27.79 0.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.239 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.912 ' CD2' HD21 ' D' ' 128' ' ' LEU . 54.1 m-85 -134.51 71.79 1.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.474 179.767 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.423 ' HB2' ' HB ' ' C' ' 62' ' ' THR . 2.2 mt-10 -58.97 94.71 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.783 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.559 HG23 HG21 ' B' ' 124' ' ' THR . 0.0 OUTLIER -72.59 103.66 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.009 0.433 . . . . 0.0 110.957 -179.92 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.477 ' HB ' ' HB2' ' C' ' 60' ' ' GLU . 1.9 m -85.25 112.92 21.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.652 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.647 HD22 ' HB3' ' A' ' 66' ' ' ASN . 0.2 OUTLIER -88.34 132.21 34.51 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.785 -179.844 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.695 HD23 ' N ' ' A' ' 64' ' ' LEU . 0.1 OUTLIER -113.51 -27.74 7.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.004 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.451 ' HB2' ' CG ' ' C' ' 58' ' ' PHE . 46.3 t0 -83.42 0.57 45.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.351 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.647 ' HB3' HD22 ' A' ' 63' ' ' LEU . 13.2 p-10 . . . . . 0 C--N 1.331 -0.206 0 CA-C-O 120.644 0.259 . . . . 0.0 111.343 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.509 -0.337 0 N-CA-C 110.381 -1.088 . . . . 0.0 110.381 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.796 ' O ' HD23 ' B' ' 82' ' ' LEU . 8.8 tt -98.66 -21.19 16.56 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 114.511 -0.844 . . . . 0.0 110.111 179.189 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 83' ' ' LEU . . . . . 0.988 HD23 ' H ' ' B' ' 84' ' ' ALA . 0.5 OUTLIER -75.18 -39.72 59.98 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.093 -0.958 . . . . 0.0 111.385 -179.352 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.988 ' H ' HD23 ' B' ' 83' ' ' LEU . . . -65.4 -26.18 67.88 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.064 -178.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 85' ' ' ALA . . . . . 1.02 ' HB1' ' HB3' ' B' ' 126' ' ' LEU . . . -53.35 -25.16 14.2 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.055 0.455 . . . . 0.0 110.262 179.231 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -124.67 -45.22 1.92 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.785 178.663 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 87' ' ' ARG . . . . . 0.6 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 8.8 ttt180 -58.5 -46.73 86.1 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.314 179.014 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 88' ' ' ALA . . . . . 0.782 ' HB3' ' O ' ' B' ' 84' ' ' ALA . . . -65.06 -41.19 95.37 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.906 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 89' ' ' VAL . . . . . 0.759 HG13 ' CD1' ' B' ' 117' ' ' PHE . 46.2 t -68.62 -36.65 75.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.649 179.44 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 11.5 t -76.04 -41.06 51.99 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.515 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 91' ' ' GLN . . . . . 0.48 ' NE2' ' HA ' ' B' ' 88' ' ' ALA . 7.7 pt20 -66.67 -49.24 66.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.186 0.517 . . . . 0.0 109.676 179.779 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 92' ' ' VAL . . . . . 0.698 HG23 ' O ' ' B' ' 88' ' ' ALA . 46.8 t -64.89 -28.03 43.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.31 177.826 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 93' ' ' LEU . . . . . 0.734 HD21 ' HA ' ' B' ' 114' ' ' HIS . 1.7 mt -60.94 -45.99 92.48 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.353 179.543 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -76.12 -25.68 55.61 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.957 -179.696 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 95' ' ' SER . . . . . 0.716 ' HB2' HD21 ' A' ' 33' ' ' LEU . 9.7 p -79.02 -27.51 43.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.642 -179.714 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 96' ' ' LEU . . . . . 0.919 HD22 HD22 ' B' ' 110' ' ' LEU . 0.2 OUTLIER -37.43 -52.3 1.13 Allowed 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 112.589 0.588 . . . . 0.0 112.589 -179.332 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -69.46 -29.53 67.24 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.152 -179.262 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 98' ' ' GLU . . . . . 0.796 ' O ' ' HB3' ' B' ' 101' ' ' ALA . 0.1 OUTLIER -69.64 -34.69 74.39 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 177.898 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 99' ' ' ILE . . . . . 0.462 ' HB ' ' O ' ' B' ' 96' ' ' LEU . 39.6 mt -61.99 -49.23 84.99 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.819 0 CA-C-N 114.471 -1.241 . . . . 0.0 109.852 178.444 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 100' ' ' HIS . . . . . 0.867 ' HB2' HD11 ' B' ' 110' ' ' LEU . 0.1 OUTLIER -56.46 -33.9 66.35 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 178.084 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 101' ' ' ALA . . . . . 0.796 ' HB3' ' O ' ' B' ' 98' ' ' GLU . . . -56.56 -45.32 81.31 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.494 -1.23 . . . . 0.0 111.993 179.408 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 102' ' ' LEU . . . . . 0.778 HD21 ' OE2' ' B' ' 98' ' ' GLU . 0.4 OUTLIER -117.32 30.22 7.43 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 -177.257 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 103' ' ' THR . . . . . 0.714 HG22 ' O ' ' A' ' 24' ' ' LYS . 40.8 p -146.87 -32.58 0.31 Allowed 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.994 -0.283 . . . . 0.0 111.529 179.568 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 69.42 27.44 4.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.066 0.46 . . . . 0.0 110.486 -179.558 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 105' ' ' SER . . . . . 0.416 ' HB3' ' CE1' ' A' ' 21' ' ' TYR . 27.4 m -51.4 -76.98 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.835 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 168.28 104.8 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.509 179.757 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 66.5 tt0 -48.08 -32.87 7.34 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.929 0.395 . . . . 0.0 110.638 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.46 -47.19 73.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.796 179.071 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 109' ' ' ASP . . . . . 0.665 ' O ' HD12 ' B' ' 113' ' ' LEU . 4.0 m-20 -63.98 -36.62 84.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.85 179.039 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 110' ' ' LEU . . . . . 0.919 HD22 HD22 ' B' ' 96' ' ' LEU . 17.1 mt -59.8 -44.93 93.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.07 179.091 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 111' ' ' ASP . . . . . 0.576 ' HA ' ' CD2' ' B' ' 114' ' ' HIS . 7.1 m-20 -60.79 -41.79 96.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.661 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 112' ' ' PHE . . . . . 0.501 ' O ' HG23 ' B' ' 116' ' ' VAL . 0.2 OUTLIER -58.66 -39.83 81.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.575 179.728 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 113' ' ' LEU . . . . . 0.673 HD23 ' HB1' ' A' ' 14' ' ' ALA . 0.5 OUTLIER -74.58 -31.78 62.17 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.977 -179.894 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 114' ' ' HIS . . . . . 0.734 ' HA ' HD21 ' B' ' 93' ' ' LEU . 0.0 OUTLIER -61.38 -34.74 75.84 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 178.585 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.12 -37.44 61.43 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 178.48 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 116' ' ' VAL . . . . . 0.821 HG11 ' CB ' ' A' ' 14' ' ' ALA . 38.7 t -62.47 -23.83 33.47 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.027 178.564 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 117' ' ' PHE . . . . . 0.759 ' CD1' HG13 ' B' ' 89' ' ' VAL . 25.0 m-85 -102.95 -29.09 11.63 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.22 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.86 -31.17 71.97 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.832 0.349 . . . . 0.0 111.113 -179.539 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -45.75 121.46 3.14 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.456 -179.596 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 5.2 tp60 -66.29 -43.46 86.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.849 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 121' ' ' HIS . . . . . 0.401 ' O ' ' HG ' ' B' ' 125' ' ' LEU . 0.3 OUTLIER -55.74 -33.87 64.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.804 179.721 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 122' ' ' LEU . . . . . 0.885 HD12 HD12 ' B' ' 125' ' ' LEU . 33.2 tp -55.82 -47.43 77.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.613 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 123' ' ' HIS . . . . . 0.889 ' HA ' HD12 ' B' ' 126' ' ' LEU . 0.0 OUTLIER -55.98 -25.75 45.33 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 179.18 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 124' ' ' THR . . . . . 0.559 HG21 HG23 ' A' ' 61' ' ' VAL . 1.3 m -74.39 -37.51 63.38 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 178.842 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 125' ' ' LEU . . . . . 0.885 HD12 HD12 ' B' ' 122' ' ' LEU . 3.4 mt -73.14 -32.45 64.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.364 178.12 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 126' ' ' LEU . . . . . 1.02 ' HB3' ' HB1' ' B' ' 85' ' ' ALA . 8.7 mt -73.27 -50.43 22.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.071 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -66.17 -39.04 89.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.996 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 128' ' ' LEU . . . . . 0.929 HD21 ' CD2' ' C' ' 59' ' ' TYR . 84.4 mt -72.73 -34.07 66.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.497 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 129' ' ' TYR . . . . . 0.834 ' CE2' HG23 ' A' ' 43' ' ' ILE . 0.3 OUTLIER -60.41 -51.98 67.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.734 -179.636 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 130' ' ' ASP . . . . . 0.715 ' OD2' ' HB2' ' B' ' 85' ' ' ALA . 35.9 m-20 -76.42 -27.49 56.28 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.331 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 18.1 mttp -59.58 -51.89 67.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.757 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 132' ' ' ILE . . . . . 0.828 ' CG1' HD11 ' C' ' 55' ' ' ILE . 3.0 mt -73.46 -38.39 52.77 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.527 179.651 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 133' ' ' ASN . . . . . 0.445 ' HB2' HD23 ' A' ' 48' ' ' LEU . 57.2 t30 -59.52 -30.12 68.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.774 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 90.6 m -81.4 -31.69 33.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -79.31 -34.01 42.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 7' ' ' ARG . . . . . 0.611 ' O ' HG23 ' C' ' 11' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.219 0 N-CA-C 110.511 -0.181 . . . . 0.0 110.511 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 8' ' ' LYS . . . . . 0.56 ' HG2' HG21 ' C' ' 53' ' ' ILE . 12.7 mtmt -67.68 -31.89 72.18 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.031 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 58.0 mm-40 -80.65 -32.02 36.27 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.188 179.242 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 10' ' ' ASP . . . . . 0.808 ' OD2' HG22 ' D' ' 116' ' ' VAL . 0.0 OUTLIER -81.55 -30.06 33.25 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.955 0.407 . . . . 0.0 110.21 179.702 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 11' ' ' THR . . . . . 0.611 HG23 ' O ' ' C' ' 7' ' ' ARG . 21.6 p -73.04 -42.3 63.27 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.808 179.169 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 12' ' ' GLN . . . . . 0.526 ' O ' ' HB2' ' C' ' 16' ' ' HIS . 0.6 OUTLIER -69.04 -48.4 62.95 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.18 179.196 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -63.54 -24.98 68.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.991 179.135 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 14' ' ' ALA . . . . . 0.929 ' CB ' HG11 ' D' ' 116' ' ' VAL . . . -78.39 -52.52 8.45 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.717 179.06 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 15' ' ' LEU . . . . . 0.756 HD22 ' HB3' ' C' ' 44' ' ' PHE . 0.4 OUTLIER -66.42 -28.39 68.58 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.011 179.753 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 16' ' ' HIS . . . . . 0.526 ' HB2' ' O ' ' C' ' 12' ' ' GLN . 0.1 OUTLIER -72.24 -45.09 61.68 Favored 'General case' 0 CA--C 1.519 -0.224 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 178.502 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 17' ' ' LEU . . . . . 0.93 HD22 ' CZ ' ' C' ' 21' ' ' TYR . 1.5 mt -62.55 -38.57 90.54 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.266 178.6 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 18' ' ' LEU . . . . . 0.942 ' CD2' HG11 ' D' ' 92' ' ' VAL . 36.3 mt -61.03 -43.15 99.32 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.815 -1.084 . . . . 0.0 110.831 179.702 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 19' ' ' GLU . . . . . 0.416 ' O ' ' HG2' ' C' ' 22' ' ' ARG . 2.0 mt-10 -62.09 -42.34 99.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.982 -179.779 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -72.8 -32.87 65.87 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.231 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 21' ' ' TYR . . . . . 0.93 ' CZ ' HD22 ' C' ' 17' ' ' LEU . 17.1 m-30 -70.3 -47.21 62.18 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.658 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 22' ' ' ARG . . . . . 0.443 ' HB2' ' HB2' ' C' ' 34' ' ' ARG . 0.4 OUTLIER -58.24 -45.4 87.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.912 179.859 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 23' ' ' SER . . . . . 0.432 ' N ' ' HG3' ' C' ' 22' ' ' ARG . 4.3 m -59.35 -41.63 89.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.579 179.651 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 24' ' ' LYS . . . . . 0.457 ' HG3' ' HB ' ' D' ' 103' ' ' THR . 9.8 ptmt -91.08 1.68 56.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.198 179.636 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 25' ' ' LEU . . . . . 0.873 HD12 HD11 ' C' ' 37' ' ' ILE . 0.1 OUTLIER -87.97 -69.82 0.67 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.96 0.409 . . . . 0.0 111.153 -179.63 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 26' ' ' SER . . . . . 0.753 ' OG ' ' HB3' ' C' ' 34' ' ' ARG . 69.5 m -62.94 -153.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.087 -179.152 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 27' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 60.39 21.02 10.62 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-O 120.961 0.41 . . . . 0.0 109.985 -179.371 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 28' ' ' THR . . . . . 0.62 HG23 ' N ' ' C' ' 29' ' ' GLU . 8.3 t -144.62 -57.85 0.36 Allowed 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.002 -179.389 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 29' ' ' GLU . . . . . 0.62 ' N ' HG23 ' C' ' 28' ' ' THR . 16.4 pt-20 -177.61 28.45 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.721 -179.343 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -149.48 53.26 0.95 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.994 0.426 . . . . 0.0 110.761 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 31' ' ' ARG . . . . . 0.493 ' HD2' ' HB3' ' C' ' 26' ' ' SER . 13.7 mmm180 -63.6 -53.37 52.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.867 -179.787 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.46 -36.5 71.52 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.593 179.702 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 33' ' ' LEU . . . . . 0.808 ' HG ' HD11 ' C' ' 25' ' ' LEU . 1.1 tp -60.12 -48.87 79.91 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.322 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 34' ' ' ARG . . . . . 0.753 ' HB3' ' OG ' ' C' ' 26' ' ' SER . 0.0 OUTLIER -61.41 -29.74 70.12 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 179.203 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 1.7 t -59.68 -42.97 94.12 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.428 178.424 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 36' ' ' SER . . . . . 0.663 ' O ' HG23 ' C' ' 40' ' ' VAL . 11.3 p -62.58 -42.31 99.48 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 178.484 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 37' ' ' ILE . . . . . 0.873 HD11 HD12 ' C' ' 25' ' ' LEU . 40.6 mt -59.82 -41.66 86.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 178.306 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 38' ' ' GLU . . . . . 0.41 ' HG2' ' NH1' ' C' ' 22' ' ' ARG . 7.1 mt-10 -58.6 -53.26 60.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 114.764 -1.107 . . . . 0.0 111.396 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 39' ' ' ARG . . . . . 0.463 ' HG3' ' HB1' ' D' ' 88' ' ' ALA . 4.2 ptp85 -55.91 -34.37 65.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.874 0.369 . . . . 0.0 110.05 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 40' ' ' VAL . . . . . 0.663 HG23 ' O ' ' C' ' 36' ' ' SER . 59.7 t -68.79 -30.24 46.35 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.844 178.435 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 41' ' ' ILE . . . . . 0.753 HD11 ' CB ' ' C' ' 18' ' ' LEU . 20.3 mm -69.34 -60.37 2.55 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.144 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.98 179.371 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 19.8 p -56.7 -46.01 81.47 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.901 0.381 . . . . 0.0 110.384 -179.557 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 43' ' ' ILE . . . . . . . . . . . . . 21.5 mt -60.44 -33.16 53.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.803 178.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 44' ' ' PHE . . . . . 0.756 ' HB3' HD22 ' C' ' 15' ' ' LEU . 0.2 OUTLIER -72.73 -60.06 2.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.839 179.55 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 45' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -78.39 -2.03 36.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.98 -178.671 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 46' ' ' SER . . . . . 0.407 ' CB ' ' CE1' ' D' ' 129' ' ' TYR . 0.1 OUTLIER -47.66 151.73 0.8 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.813 0.34 . . . . 0.0 111.46 -179.698 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.78 -31.84 70.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.987 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 48' ' ' LEU . . . . . 0.681 HD12 ' HA ' ' D' ' 129' ' ' TYR . 0.3 OUTLIER -77.68 -47.04 20.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.082 179.691 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 49' ' ' PHE . . . . . 0.984 ' CE2' HD11 ' C' ' 53' ' ' ILE . 71.1 t80 -50.68 -56.18 13.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.249 -179.44 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -54.45 -39.64 67.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.837 0.351 . . . . 0.0 110.796 179.656 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 51' ' ' ALA . . . . . 0.615 ' HB1' HG23 ' B' ' 132' ' ' ILE . . . -58.65 -45.28 89.67 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.063 0.459 . . . . 0.0 110.464 179.507 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 52' ' ' LEU . . . . . 0.557 HD13 ' O ' ' D' ' 125' ' ' LEU . 1.5 mt -61.34 -45.21 95.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.003 179.312 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 53' ' ' ILE . . . . . 0.984 HD11 ' CE2' ' C' ' 49' ' ' PHE . 54.9 mt -55.55 -31.84 29.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.228 179.125 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.9 -35.94 67.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.173 179.199 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 55' ' ' ILE . . . . . 0.828 HD11 ' CG1' ' B' ' 132' ' ' ILE . 56.5 mt -64.1 -50.7 75.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.789 179.573 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 56' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -50.21 -24.88 3.12 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.501 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 57' ' ' GLU . . . . . 0.407 ' O ' ' CD2' ' C' ' 58' ' ' PHE . 3.2 mm-40 -46.66 -29.66 1.97 Allowed 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.869 0.366 . . . . 0.0 110.992 179.77 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 58' ' ' PHE . . . . . 0.451 ' CG ' ' HB2' ' A' ' 65' ' ' ASP . 61.1 m-85 -157.24 27.66 0.3 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.156 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 59' ' ' TYR . . . . . 0.929 ' CD2' HD21 ' B' ' 128' ' ' LEU . 47.5 m-85 -137.67 74.58 1.49 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.691 179.7 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 60' ' ' GLU . . . . . 0.477 ' HB2' ' HB ' ' A' ' 62' ' ' THR . 0.7 OUTLIER -57.74 91.83 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.207 -179.847 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 61' ' ' VAL . . . . . 0.551 HG23 HG21 ' D' ' 124' ' ' THR . 0.1 OUTLIER -73.35 99.99 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 120.834 0.349 . . . . 0.0 111.02 179.888 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 62' ' ' THR . . . . . 0.423 ' HB ' ' HB2' ' A' ' 60' ' ' GLU . 2.8 m -84.84 119.01 24.84 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.413 179.614 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 63' ' ' LEU . . . . . 0.645 HD22 ' HB3' ' C' ' 66' ' ' ASN . 0.2 OUTLIER -91.94 134.54 34.7 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.056 -179.704 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 64' ' ' LEU . . . . . 0.714 ' N ' HD23 ' C' ' 64' ' ' LEU . 0.1 OUTLIER -115.77 -29.52 6.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.778 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 65' ' ' ASP . . . . . 0.414 ' HB2' ' CG ' ' A' ' 58' ' ' PHE . 0.2 OUTLIER -90.56 9.71 28.42 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.147 179.782 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 66' ' ' ASN . . . . . 0.645 ' HB3' HD22 ' C' ' 63' ' ' LEU . 10.6 p-10 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.201 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.534 0 N-CA-C 109.643 -1.383 . . . . 0.0 109.643 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 82' ' ' LEU . . . . . 0.841 ' N ' HD23 ' D' ' 82' ' ' LEU . 0.3 OUTLIER -76.98 -29.15 55.39 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 177.676 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' D' D ' 83' ' ' LEU . . . . . 0.967 HD23 ' H ' ' D' ' 84' ' ' ALA . 0.1 OUTLIER -59.12 -53.82 54.01 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 114.839 -1.073 . . . . 0.0 110.688 179.912 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' D' D ' 84' ' ' ALA . . . . . 0.967 ' H ' HD23 ' D' ' 83' ' ' LEU . . . -72.18 -22.94 61.21 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.07 -179.294 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 85' ' ' ALA . . . . . 0.861 ' HB1' ' HB2' ' D' ' 126' ' ' LEU . . . -52.75 -25.38 11.0 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.147 0.499 . . . . 0.0 109.854 179.167 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 86' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -127.11 -39.66 1.9 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.08 178.714 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 87' ' ' ARG . . . . . 0.739 ' HB3' ' O ' ' D' ' 83' ' ' LEU . 12.3 ttt180 -63.75 -40.34 96.47 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.269 179.263 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 88' ' ' ALA . . . . . 0.74 ' HB2' ' HB1' ' D' ' 84' ' ' ALA . . . -68.63 -49.67 57.37 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.682 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 89' ' ' VAL . . . . . 0.669 HG12 ' HB3' ' D' ' 117' ' ' PHE . 27.5 t -66.82 -34.71 71.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.349 179.261 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 90' ' ' SER . . . . . 0.485 ' HA ' ' HB2' ' D' ' 93' ' ' LEU . 58.3 m -76.16 -25.49 55.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.697 179.572 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 91' ' ' GLN . . . . . 0.441 ' NE2' ' HG2' ' D' ' 87' ' ' ARG . 10.2 mt-30 -66.81 -54.52 21.68 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-O 121.31 0.576 . . . . 0.0 109.524 179.369 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 92' ' ' VAL . . . . . 0.942 HG11 ' CD2' ' C' ' 18' ' ' LEU . 3.7 t -68.09 -28.06 39.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.945 178.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 93' ' ' LEU . . . . . 0.727 HD21 ' HA ' ' D' ' 114' ' ' HIS . 2.0 mt -66.22 -32.96 74.7 Favored 'General case' 0 C--O 1.23 0.059 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.284 179.707 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -86.29 -44.66 11.94 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.834 0.35 . . . . 0.0 111.355 -179.279 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 95' ' ' SER . . . . . 0.717 ' HB3' HD21 ' C' ' 33' ' ' LEU . 0.3 OUTLIER -79.98 -13.86 59.02 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.093 -0.503 . . . . 0.0 112.318 -179.284 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' D' D ' 96' ' ' LEU . . . . . 0.973 HD12 ' CD2' ' D' ' 114' ' ' HIS . 0.2 OUTLIER -39.49 -52.09 2.14 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -179.355 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -68.21 -31.43 70.93 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.232 -179.257 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 98' ' ' GLU . . . . . 0.84 ' O ' ' HB3' ' D' ' 101' ' ' ALA . 0.1 OUTLIER -69.87 -33.38 72.17 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 178.204 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' D' D ' 99' ' ' ILE . . . . . 0.517 HG23 HG21 ' D' ' 103' ' ' THR . 50.8 mt -63.21 -48.99 84.99 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.811 0 CA-C-N 114.521 -1.218 . . . . 0.0 109.491 178.458 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 100' ' ' HIS . . . . . 0.792 ' HB2' HD11 ' D' ' 110' ' ' LEU . 0.1 OUTLIER -55.43 -34.59 64.58 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 177.944 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' D' D ' 101' ' ' ALA . . . . . 0.84 ' HB3' ' O ' ' D' ' 98' ' ' GLU . . . -54.97 -46.88 75.11 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 114.445 -1.252 . . . . 0.0 111.582 178.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 102' ' ' LEU . . . . . 0.776 HD21 ' OE2' ' D' ' 98' ' ' GLU . 0.4 OUTLIER -116.82 35.47 4.59 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.312 -0.858 . . . . 0.0 112.464 -177.836 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' D' D ' 103' ' ' THR . . . . . 0.667 HG23 HD12 ' D' ' 102' ' ' LEU . 49.9 p -152.0 -30.89 0.16 Allowed 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.902 -0.319 . . . . 0.0 111.783 179.796 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 76.64 22.85 1.13 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.008 0.432 . . . . 0.0 110.669 -179.452 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 105' ' ' SER . . . . . 0.467 ' HB3' ' CE1' ' C' ' 21' ' ' TYR . 1.9 p -57.02 -21.64 32.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.917 179.479 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 106' ' ' SER . . . . . 0.408 ' CB ' ' O ' ' D' ' 105' ' ' SER . 4.4 t 81.47 120.85 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.748 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -51.16 -29.17 12.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.124 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.72 -55.11 39.15 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.024 0.44 . . . . 0.0 110.201 179.641 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 109' ' ' ASP . . . . . 0.667 ' O ' HD12 ' D' ' 113' ' ' LEU . 68.3 m-20 -63.19 -35.28 79.78 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.956 179.063 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 110' ' ' LEU . . . . . 0.935 HD22 HD22 ' D' ' 96' ' ' LEU . 40.2 mt -63.71 -40.18 96.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.105 179.212 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 111' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -61.45 -44.38 97.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.399 179.704 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 112' ' ' PHE . . . . . 0.59 ' O ' HG23 ' D' ' 116' ' ' VAL . 3.1 t80 -58.98 -42.28 89.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.303 179.541 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 113' ' ' LEU . . . . . 0.692 HD11 ' CD1' ' C' ' 17' ' ' LEU . 0.5 OUTLIER -73.06 -31.66 64.55 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.797 -179.797 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' D' D ' 114' ' ' HIS . . . . . 0.973 ' CD2' HD12 ' D' ' 96' ' ' LEU . 36.7 m170 -60.21 -35.4 75.33 Favored 'General case' 0 CA--C 1.518 -0.273 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 177.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 115' ' ' SER . . . . . 0.428 ' HA ' ' HB2' ' D' ' 118' ' ' GLN . 4.7 t -73.81 -39.44 64.08 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.03 178.806 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 116' ' ' VAL . . . . . 0.929 HG11 ' CB ' ' C' ' 14' ' ' ALA . 62.5 t -60.67 -23.49 29.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.91 178.475 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 117' ' ' PHE . . . . . 0.669 ' HB3' HG12 ' D' ' 89' ' ' VAL . 7.9 m-30 -106.24 -21.47 13.1 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.393 -179.672 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 118' ' ' GLN . . . . . 0.632 HE22 ' HB3' ' D' ' 114' ' ' HIS . 0.0 OUTLIER -71.83 -30.44 65.49 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.718 0.294 . . . . 0.0 111.134 -179.745 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -43.48 142.57 1.11 Allowed 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.734 -179.478 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 120' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -82.79 -48.76 10.45 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.843 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 121' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.7 -34.0 64.69 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.549 179.694 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 122' ' ' LEU . . . . . 0.808 HD22 ' O ' ' D' ' 116' ' ' VAL . 43.0 tp -55.8 -49.25 73.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.145 179.656 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 123' ' ' HIS . . . . . 0.878 ' HA ' HD12 ' D' ' 126' ' ' LEU . 0.0 OUTLIER -52.31 -27.13 14.08 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.094 179.08 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' D' D ' 124' ' ' THR . . . . . 0.59 HG22 HD11 ' D' ' 128' ' ' LEU . 3.6 m -75.44 -35.25 60.96 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.948 179.243 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 125' ' ' LEU . . . . . 0.806 HD12 HD12 ' D' ' 122' ' ' LEU . 14.7 mt -65.26 -41.19 94.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.229 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 126' ' ' LEU . . . . . 0.878 HD12 ' HA ' ' D' ' 123' ' ' HIS . 0.3 OUTLIER -73.13 -41.42 64.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.263 -179.65 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' D' D ' 127' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.4 -53.25 60.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.862 0.363 . . . . 0.0 111.08 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 128' ' ' LEU . . . . . 0.912 HD21 ' CD2' ' A' ' 59' ' ' TYR . 5.2 mt -70.16 -29.54 66.47 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.323 179.729 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 129' ' ' TYR . . . . . 0.681 ' HA ' HD12 ' C' ' 48' ' ' LEU . 3.2 t80 -56.27 -53.53 56.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.515 -179.173 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 130' ' ' ASP . . . . . 0.436 ' HB3' ' CD2' ' D' ' 82' ' ' LEU . 1.7 m-20 -77.51 -29.37 52.41 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.51 -0.313 . . . . 0.0 111.386 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.56 -53.91 48.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.932 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 132' ' ' ILE . . . . . 0.728 HD12 ' O ' ' D' ' 128' ' ' LEU . 1.8 mt -77.02 -41.8 31.55 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.755 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 133' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -63.01 -25.49 68.41 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.246 -179.517 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 134' ' ' THR . . . . . . . . . . . . . 88.3 m -94.3 -26.72 16.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.882 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 135' ' ' LYS . . . . . 0.48 ' HG2' ' HB2' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -78.8 -33.04 46.55 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.163 179.898 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' D' D ' 136' ' ' SER . . . . . . . . . . . . . 34.2 m . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.722 -179.976 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.21 0 N-CA-C 110.059 -0.348 . . . . 0.0 110.059 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.98 -37.86 88.95 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 121.157 0.503 . . . . 0.0 109.763 178.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 56.2 mm-40 -73.77 -31.57 63.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.12 179.175 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.31 -34.14 55.46 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.016 179.594 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.3 p -72.95 -47.82 42.17 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.019 179.376 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.553 ' HA ' HD23 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -63.6 -34.19 77.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.089 179.54 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.411 ' HD3' ' CZ ' ' B' ' 112' ' ' PHE . 59.3 ttt85 -75.32 -25.48 57.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.106 179.043 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.827 ' CB ' HG11 ' B' ' 116' ' ' VAL . . . -78.38 -55.34 5.31 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 178.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.781 ' O ' HD12 ' A' ' 41' ' ' ILE . 0.3 OUTLIER -60.37 -28.45 68.21 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.128 179.365 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.2 m170 -73.99 -45.46 49.82 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.228 0.537 . . . . 0.0 110.038 179.006 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.678 ' CD1' HD11 ' B' ' 113' ' ' LEU . 2.1 mt -60.65 -49.45 77.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.791 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 1.062 HD22 HG11 ' B' ' 92' ' ' VAL . 0.9 OUTLIER -61.99 -35.27 78.03 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.271 179.811 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.434 ' CG ' HG21 ' A' ' 41' ' ' ILE . 8.8 mt-10 -58.14 -43.44 87.34 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.183 0.516 . . . . 0.0 110.22 179.286 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.52 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 7.3 mm-40 -69.74 -34.37 73.73 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.892 179.37 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.623 ' CZ ' HD22 ' A' ' 17' ' ' LEU . 22.4 m-30 -66.52 -48.56 69.34 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.804 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.421 ' CG ' ' O ' ' A' ' 19' ' ' GLU . 0.3 OUTLIER -55.47 -42.83 74.89 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 120.781 0.324 . . . . 0.0 110.48 179.742 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.407 ' O ' ' CG ' ' A' ' 27' ' ' GLN . 0.8 OUTLIER -63.55 -32.54 74.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.116 179.475 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.52 ' HG3' ' O ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -114.31 21.69 14.43 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.714 0.292 . . . . 0.0 111.762 -179.736 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.88 HD12 HD11 ' A' ' 37' ' ' ILE . 0.0 OUTLIER -118.14 -55.92 2.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.808 0.337 . . . . 0.0 110.87 -179.715 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.555 ' HB2' ' HA ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -67.85 -12.11 59.98 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.181 -0.463 . . . . 0.0 112.12 -178.944 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.434 ' OE1' ' NH1' ' A' ' 31' ' ' ARG . 2.1 mm100 -79.37 55.57 1.94 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.757 0.313 . . . . 0.0 110.885 -179.719 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.495 HG23 ' N ' ' A' ' 29' ' ' GLU . 5.8 t -173.42 -54.02 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.822 0.304 . . . . 0.0 111.822 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.495 ' N ' HG23 ' A' ' 28' ' ' THR . 8.5 pt-20 -175.1 27.64 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.983 -179.307 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -136.77 48.13 2.12 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.018 0.437 . . . . 0.0 111.227 -179.643 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.555 ' HA ' ' HB2' ' A' ' 26' ' ' SER . 25.6 mmm180 -61.55 -46.95 87.75 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.202 0.525 . . . . 0.0 110.149 179.308 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.72 -46.78 86.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.58 178.696 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.691 HD21 ' HB3' ' B' ' 95' ' ' SER . 5.2 tp -54.33 -33.43 58.91 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.872 178.817 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.499 ' HB2' ' HB2' ' A' ' 26' ' ' SER . 0.6 OUTLIER -60.68 -47.24 87.13 Favored 'General case' 0 CA--C 1.513 -0.468 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.273 178.746 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.3 t -55.42 -37.26 67.41 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.171 179.062 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.439 ' HA ' ' HD2' ' A' ' 39' ' ' ARG . 1.5 m -67.89 -51.18 51.0 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.166 0.508 . . . . 0.0 110.029 179.06 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.88 HD11 HD12 ' A' ' 25' ' ' LEU . 67.0 mt -56.9 -41.63 76.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.796 178.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -60.04 -40.52 89.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.738 179.771 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.439 ' HD2' ' HA ' ' A' ' 36' ' ' SER . 7.8 mtt180 -55.49 -51.37 67.2 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 121.266 0.555 . . . . 0.0 109.813 179.37 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.598 HG11 ' CZ ' ' B' ' 117' ' ' PHE . 44.4 t -60.44 -31.45 48.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.536 179.615 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.781 HD12 ' O ' ' A' ' 15' ' ' LEU . 7.2 mm -69.1 -52.6 32.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 N-CA-C 111.76 0.281 . . . . 0.0 111.76 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.4 t -65.7 -48.45 71.95 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.834 0.35 . . . . 0.0 111.19 -179.045 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.813 HG23 ' CE2' ' B' ' 129' ' ' TYR . 8.1 mt -59.65 -33.34 51.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.476 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.718 ' HB3' HD22 ' A' ' 15' ' ' LEU . 3.0 m-85 -72.23 -54.9 8.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.919 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.429 ' HG2' ' O ' ' A' ' 41' ' ' ILE . 20.0 pt20 -82.26 3.16 28.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 112.096 -178.487 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.427 ' OG ' ' CE1' ' B' ' 129' ' ' TYR . 1.6 t -51.29 145.5 8.11 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.85 0.357 . . . . 0.0 111.092 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -61.63 -36.11 79.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.143 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.779 HD21 ' HB ' ' B' ' 132' ' ' ILE . 1.5 tp -77.89 -44.99 25.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.091 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.94 ' O ' HD23 ' A' ' 52' ' ' LEU . 19.1 t80 -50.85 -56.24 13.15 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.905 0.383 . . . . 0.0 111.019 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.63 -36.7 72.17 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.07 0.462 . . . . 0.0 110.483 179.578 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.55 -49.22 78.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.701 -0.682 . . . . 0.0 111.831 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 1.083 HD11 ' HA ' ' B' ' 125' ' ' LEU . 0.2 OUTLIER -72.97 -32.79 65.43 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.893 -179.268 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.747 HG12 HD13 ' B' ' 125' ' ' LEU . 54.2 mt -55.44 -38.38 48.66 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 178.11 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -68.37 -43.08 78.18 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.271 178.338 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.766 HG22 ' HB2' ' A' ' 59' ' ' TYR . 82.9 mt -49.93 -40.37 16.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.637 178.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.98 -23.76 8.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.516 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -48.08 -28.27 2.77 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.837 0.351 . . . . 0.0 111.299 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.408 ' CB ' ' HB2' ' C' ' 65' ' ' ASP . 50.6 m-85 -155.51 25.92 0.4 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.303 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.848 ' CD2' HD21 ' D' ' 128' ' ' LEU . 42.5 m-85 -135.14 82.77 1.98 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.834 179.735 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.22 92.18 0.18 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.907 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -72.77 96.72 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 CA-C-O 120.899 0.38 . . . . 0.0 110.54 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.414 ' HB ' ' HB2' ' C' ' 60' ' ' GLU . 9.0 m -83.97 109.06 17.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.607 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.922 HD12 HG23 ' B' ' 124' ' ' THR . 0.2 OUTLIER -86.36 131.88 34.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.731 179.826 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.779 HD23 ' N ' ' A' ' 64' ' ' LEU . 0.1 OUTLIER -111.16 -27.82 8.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.887 -179.638 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.421 ' HB2' ' CG ' ' C' ' 58' ' ' PHE . 1.5 m-20 -96.87 11.06 37.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.953 179.611 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.549 ' CA ' HD22 ' A' ' 63' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.331 -0.225 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.27 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 111.427 -0.669 . . . . 0.0 111.427 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.53 HD23 ' C ' ' B' ' 82' ' ' LEU . 8.5 tt -111.13 -29.5 7.84 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.073 -0.563 . . . . 0.0 110.646 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 83' ' ' LEU . . . . . 0.992 HD23 ' H ' ' B' ' 84' ' ' ALA . 0.7 OUTLIER -66.26 -39.61 89.59 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.18 -0.918 . . . . 0.0 111.621 -179.388 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.992 ' H ' HD23 ' B' ' 83' ' ' LEU . . . -70.86 -26.88 63.46 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.797 -178.135 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 85' ' ' ALA . . . . . 0.945 ' HB1' ' HB3' ' B' ' 126' ' ' LEU . . . -53.39 -23.66 10.26 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.942 0.401 . . . . 0.0 110.405 179.434 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -123.62 -43.28 2.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.71 178.506 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 87' ' ' ARG . . . . . 0.663 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 7.2 ttt85 -61.65 -51.58 67.87 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.298 178.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 88' ' ' ALA . . . . . 0.716 ' HB3' ' O ' ' B' ' 84' ' ' ALA . . . -60.15 -35.97 76.5 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.495 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 89' ' ' VAL . . . . . 0.633 HG13 ' CD2' ' B' ' 117' ' ' PHE . 55.2 t -59.83 -45.38 94.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.213 179.131 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 6.1 m -70.65 -24.92 62.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.292 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 91' ' ' GLN . . . . . 0.585 HE21 ' HG2' ' B' ' 87' ' ' ARG . 58.4 mt-30 -67.98 -57.52 6.04 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-O 121.308 0.575 . . . . 0.0 109.932 179.732 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 92' ' ' VAL . . . . . 1.062 HG11 HD22 ' A' ' 18' ' ' LEU . 4.1 t -66.72 -27.85 41.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.088 179.327 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 93' ' ' LEU . . . . . 0.697 HD21 ' HA ' ' B' ' 114' ' ' HIS . 3.8 mt -66.83 -34.66 78.3 Favored 'General case' 0 C--O 1.23 0.077 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.11 179.594 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -89.21 -33.25 17.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.81 0.338 . . . . 0.0 111.355 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 95' ' ' SER . . . . . 0.691 ' HB3' HD21 ' A' ' 33' ' ' LEU . 1.2 m -80.11 -26.1 39.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 112.062 -179.31 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 96' ' ' LEU . . . . . 0.914 HD22 HD22 ' B' ' 110' ' ' LEU . 0.2 OUTLIER -38.79 -52.16 1.71 Allowed 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 112.55 0.574 . . . . 0.0 112.55 -178.912 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -68.65 -30.32 69.0 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.96 0.409 . . . . 0.0 111.115 -179.148 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 98' ' ' GLU . . . . . 0.806 ' O ' ' HB3' ' B' ' 101' ' ' ALA . 0.1 OUTLIER -69.49 -35.25 75.37 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 177.905 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 99' ' ' ILE . . . . . 0.497 HG23 HG21 ' B' ' 103' ' ' THR . 42.9 mt -61.0 -49.05 86.34 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.764 0 CA-C-N 114.323 -1.308 . . . . 0.0 109.646 178.368 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 100' ' ' HIS . . . . . 0.934 ' HB2' HD11 ' B' ' 110' ' ' LEU . 0.1 OUTLIER -57.17 -33.83 67.84 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 178.268 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 101' ' ' ALA . . . . . 0.806 ' HB3' ' O ' ' B' ' 98' ' ' GLU . . . -57.14 -44.4 83.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.519 -1.219 . . . . 0.0 112.058 179.558 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 102' ' ' LEU . . . . . 0.664 HD13 HD23 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -117.16 26.09 10.02 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 -177.409 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 103' ' ' THR . . . . . 0.641 HG23 HD12 ' B' ' 102' ' ' LEU . 41.2 p -141.42 -32.73 0.53 Allowed 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 121.018 -0.273 . . . . 0.0 111.346 179.483 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 1.1 t70 68.79 27.64 5.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.986 0.422 . . . . 0.0 110.331 -179.597 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 105' ' ' SER . . . . . 0.413 ' HB3' ' CE1' ' A' ' 21' ' ' TYR . 67.6 m -51.43 -75.72 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.702 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 167.25 104.09 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.418 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -47.15 -33.22 4.96 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.931 0.396 . . . . 0.0 110.495 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.33 -44.43 79.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.553 178.844 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 109' ' ' ASP . . . . . 0.617 ' O ' HD12 ' B' ' 113' ' ' LEU . 34.9 m-20 -62.93 -39.83 95.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.689 178.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 110' ' ' LEU . . . . . 0.934 HD11 ' HB2' ' B' ' 100' ' ' HIS . 26.7 mt -59.68 -48.07 83.11 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.589 179.088 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -52.54 -45.11 66.19 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.89 179.525 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 112' ' ' PHE . . . . . 0.478 ' O ' HG23 ' B' ' 116' ' ' VAL . 2.4 t80 -58.83 -43.47 90.71 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.692 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 113' ' ' LEU . . . . . 0.678 HD11 ' CD1' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -71.01 -40.02 72.05 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.082 -179.768 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 114' ' ' HIS . . . . . 0.697 ' HA ' HD21 ' B' ' 93' ' ' LEU . 50.6 m80 -56.01 -31.89 63.48 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 178.288 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.64 -37.0 57.04 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 178.321 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 116' ' ' VAL . . . . . 0.827 HG11 ' CB ' ' A' ' 14' ' ' ALA . 38.4 t -60.29 -28.15 41.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.942 178.655 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 117' ' ' PHE . . . . . 0.633 ' CD2' HG13 ' B' ' 89' ' ' VAL . 0.6 OUTLIER -96.33 -37.21 10.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.748 -179.859 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 118' ' ' GLN . . . . . 0.41 HE22 ' HB3' ' B' ' 114' ' ' HIS . 0.0 OUTLIER -56.56 -31.36 64.12 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.059 -179.735 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -45.67 127.74 7.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.552 -179.512 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -73.18 -40.1 65.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.681 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -59.34 -35.1 73.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.603 179.761 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 122' ' ' LEU . . . . . 0.776 HD22 ' O ' ' B' ' 116' ' ' VAL . 33.9 tp -56.57 -47.71 78.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.466 179.579 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 123' ' ' HIS . . . . . 1.018 ' HA ' HD12 ' B' ' 126' ' ' LEU . 14.0 m170 -55.88 -23.6 32.09 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.097 178.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 124' ' ' THR . . . . . 0.922 HG23 HD12 ' A' ' 63' ' ' LEU . 3.2 m -78.13 -35.43 49.04 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 178.748 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 125' ' ' LEU . . . . . 1.083 ' HA ' HD11 ' A' ' 52' ' ' LEU . 19.8 mt -71.97 -31.86 66.69 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.166 -0.924 . . . . 0.0 110.354 179.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 126' ' ' LEU . . . . . 1.018 HD12 ' HA ' ' B' ' 123' ' ' HIS . 5.3 mt -73.02 -46.39 52.3 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.401 -179.431 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -63.24 -46.81 85.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.479 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 128' ' ' LEU . . . . . 0.971 HD21 ' CD2' ' C' ' 59' ' ' TYR . 11.0 mt -66.74 -39.27 87.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.963 0.411 . . . . 0.0 110.978 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 129' ' ' TYR . . . . . 0.813 ' CE2' HG23 ' A' ' 43' ' ' ILE . 0.6 OUTLIER -55.47 -47.39 76.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.663 -179.887 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 130' ' ' ASP . . . . . 0.525 ' CG ' ' HA ' ' B' ' 82' ' ' LEU . 0.2 OUTLIER -75.41 -40.17 58.09 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.527 -179.524 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 8.4 tppt? -54.59 -52.08 63.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.599 -179.263 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 132' ' ' ILE . . . . . 0.779 ' HB ' HD21 ' A' ' 48' ' ' LEU . 2.4 mt -72.68 -38.62 58.93 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 CA-C-O 120.9 0.381 . . . . 0.0 110.69 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 133' ' ' ASN . . . . . 0.5 ' HB2' HD23 ' A' ' 48' ' ' LEU . 49.1 t30 -59.18 -34.12 71.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.76 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 56.6 m -61.91 -25.89 67.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.033 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 8.4 mttm -110.9 -12.41 14.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.342 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 11.5 t . . . . . 0 C--N 1.33 -0.268 0 CA-C-O 120.697 0.284 . . . . 0.0 111.227 -179.921 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 7' ' ' ARG . . . . . . . . . . . . . 22.4 ttm105 . . . . . 0 N--CA 1.454 -0.25 0 CA-C-O 120.692 0.282 . . . . 0.0 110.45 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.88 -39.25 93.89 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.085 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -73.82 -25.68 60.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.018 178.696 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 10' ' ' ASP . . . . . 0.499 ' HB3' HG22 ' D' ' 116' ' ' VAL . 1.0 OUTLIER -80.49 -32.64 36.99 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.337 179.583 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 11' ' ' THR . . . . . 0.509 HG22 ' CE1' ' C' ' 44' ' ' PHE . 1.0 OUTLIER -70.63 -41.59 72.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.451 179.504 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 12' ' ' GLN . . . . . 0.426 ' HA ' HD23 ' C' ' 15' ' ' LEU . 0.7 OUTLIER -71.24 -42.86 68.32 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-O 120.923 0.392 . . . . 0.0 110.31 179.571 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 55.5 ttt180 -67.4 -27.03 66.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.806 179.1 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 14' ' ' ALA . . . . . 0.798 ' CB ' HG11 ' D' ' 116' ' ' VAL . . . -78.6 -51.9 9.23 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.568 178.805 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 15' ' ' LEU . . . . . 0.791 HD22 ' HB3' ' C' ' 44' ' ' PHE . 0.3 OUTLIER -66.11 -29.5 69.82 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.516 179.525 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 16' ' ' HIS . . . . . . . . . . . . . 48.7 t60 -70.77 -44.87 65.8 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 178.4 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 17' ' ' LEU . . . . . 0.668 ' CD1' HD11 ' D' ' 113' ' ' LEU . 3.0 mt -62.81 -36.49 83.34 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.153 -0.931 . . . . 0.0 109.348 178.394 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 18' ' ' LEU . . . . . 0.809 ' CD2' HG11 ' D' ' 92' ' ' VAL . 37.1 mt -63.83 -41.98 97.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.44 179.718 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 19' ' ' GLU . . . . . 0.575 ' N ' HD11 ' C' ' 41' ' ' ILE . 0.2 OUTLIER -59.09 -44.17 91.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.171 0.51 . . . . 0.0 110.647 179.806 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -70.38 -32.41 70.06 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.353 179.672 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 21' ' ' TYR . . . . . 0.654 ' O ' ' HB2' ' C' ' 25' ' ' LEU . 14.6 m-30 -70.62 -48.46 54.97 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.884 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 22' ' ' ARG . . . . . 0.431 ' HG3' ' N ' ' C' ' 23' ' ' SER . 0.7 OUTLIER -57.84 -38.59 75.93 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.756 0.312 . . . . 0.0 110.516 179.547 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 23' ' ' SER . . . . . 0.431 ' N ' ' HG3' ' C' ' 22' ' ' ARG . 37.3 m -62.11 -43.95 97.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.945 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 24' ' ' LYS . . . . . 0.404 ' O ' HG22 ' D' ' 103' ' ' THR . 10.4 ptmt -98.16 9.86 41.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.773 -179.761 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 25' ' ' LEU . . . . . 0.914 HD12 HD11 ' C' ' 37' ' ' ILE . 0.0 OUTLIER -103.89 -66.68 0.94 Allowed 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -179.152 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 26' ' ' SER . . . . . 0.543 ' CB ' ' HB2' ' C' ' 34' ' ' ARG . 0.0 OUTLIER -64.87 -15.31 61.76 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 -178.422 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 27' ' ' GLN . . . . . 0.441 ' OE1' ' NH1' ' C' ' 31' ' ' ARG . 0.4 OUTLIER -76.76 57.88 1.35 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.939 0.399 . . . . 0.0 110.788 -179.682 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 28' ' ' THR . . . . . 0.638 HG22 ' O ' ' C' ' 25' ' ' LEU . 8.5 t -176.03 -57.61 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.64 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 29' ' ' GLU . . . . . 0.625 ' N ' HG23 ' C' ' 28' ' ' THR . 11.9 pt-20 -172.34 29.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.982 -0.554 . . . . 0.0 112.113 -178.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 30' ' ' ASP . . . . . 0.417 ' O ' ' HB2' ' C' ' 26' ' ' SER . 0.4 OUTLIER -138.84 44.95 2.03 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.904 0.383 . . . . 0.0 111.405 -179.857 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 31' ' ' ARG . . . . . 0.45 ' HA ' ' HB2' ' C' ' 26' ' ' SER . 6.6 mmm180 -54.69 -49.29 71.03 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.277 0.56 . . . . 0.0 110.404 179.518 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 24.8 tp60 -55.25 -44.14 75.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.893 179.025 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 33' ' ' LEU . . . . . 0.776 ' CD2' HD11 ' C' ' 25' ' ' LEU . 8.8 tp -57.23 -32.69 66.78 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.931 179.258 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 34' ' ' ARG . . . . . 0.543 ' HB2' ' CB ' ' C' ' 26' ' ' SER . 6.3 ttp180 -60.32 -45.57 92.95 Favored 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 178.312 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 15.9 m -54.79 -38.63 67.54 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.873 -1.058 . . . . 0.0 110.035 178.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 36' ' ' SER . . . . . 0.465 ' OG ' HD12 ' C' ' 33' ' ' LEU . 24.6 p -67.38 -51.75 48.27 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.278 179.253 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 37' ' ' ILE . . . . . 0.914 HD11 HD12 ' C' ' 25' ' ' LEU . 27.3 mt -59.49 -32.27 48.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.822 178.807 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -66.61 -43.96 83.36 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.655 179.725 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 39' ' ' ARG . . . . . 0.472 ' HB3' ' CB ' ' D' ' 88' ' ' ALA . 8.5 mtt180 -55.9 -52.42 64.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.081 179.544 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 40' ' ' VAL . . . . . 0.771 HG12 ' CE2' ' C' ' 44' ' ' PHE . 8.0 t -60.42 -31.2 48.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.448 -0.797 . . . . 0.0 110.252 179.802 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 41' ' ' ILE . . . . . 0.579 HD13 ' O ' ' C' ' 15' ' ' LEU . 1.3 mm -70.22 -58.67 4.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.462 179.606 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 53.7 p -57.59 -48.64 78.82 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-O 121.188 0.518 . . . . 0.0 110.447 -179.142 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 43' ' ' ILE . . . . . 0.722 HG23 ' CE2' ' D' ' 129' ' ' TYR . 8.6 mt -59.91 -32.01 48.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.127 178.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 44' ' ' PHE . . . . . 0.791 ' HB3' HD22 ' C' ' 15' ' ' LEU . 0.2 OUTLIER -71.86 -58.82 3.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.048 179.798 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 45' ' ' GLN . . . . . 0.516 ' HG2' ' O ' ' C' ' 41' ' ' ILE . 18.5 pt20 -69.25 -9.19 51.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.021 -0.536 . . . . 0.0 112.204 -178.422 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 46' ' ' SER . . . . . 0.431 ' OG ' ' CE1' ' D' ' 129' ' ' TYR . 0.2 OUTLIER -52.33 129.39 28.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.833 0.349 . . . . 0.0 110.652 179.758 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -57.43 -37.95 73.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.633 -179.462 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 48' ' ' LEU . . . . . 0.748 ' O ' HD12 ' C' ' 48' ' ' LEU . 1.4 tp -67.14 -46.8 72.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.807 0.336 . . . . 0.0 110.096 179.772 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 49' ' ' PHE . . . . . 0.422 ' HZ ' HD11 ' D' ' 122' ' ' LEU . 36.8 t80 -51.55 -39.82 58.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.138 179.41 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 50' ' ' GLN . . . . . 0.424 ' OE1' ' CA ' ' C' ' 50' ' ' GLN . 0.0 OUTLIER -64.61 -42.52 95.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.121 179.3 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.89 -44.12 91.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.843 179.721 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 52' ' ' LEU . . . . . 0.567 HD21 ' HB3' ' D' ' 128' ' ' LEU . 2.3 mt -61.71 -46.42 89.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.345 179.452 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 53' ' ' ILE . . . . . 0.74 HG12 HD13 ' D' ' 125' ' ' LEU . 43.4 mt -54.84 -34.57 31.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.357 179.346 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -73.21 -32.7 64.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.238 179.282 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 55' ' ' ILE . . . . . 0.692 HG22 ' HB2' ' C' ' 59' ' ' TYR . 43.4 mt -65.74 -35.22 74.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.775 179.55 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 56' ' ' GLN . . . . . 0.639 ' OE1' HD21 ' D' ' 125' ' ' LEU . 0.4 OUTLIER -52.76 -23.21 6.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.542 -179.886 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 57' ' ' GLU . . . . . 0.406 ' O ' ' CD2' ' C' ' 58' ' ' PHE . 77.3 mt-10 -46.72 -37.24 8.15 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.657 -179.672 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 58' ' ' PHE . . . . . 0.421 ' CG ' ' HB2' ' A' ' 65' ' ' ASP . 63.3 m-85 -155.44 38.9 0.39 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.792 0.33 . . . . 0.0 111.738 -179.59 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 59' ' ' TYR . . . . . 0.971 ' CD2' HD21 ' B' ' 128' ' ' LEU . 50.0 m-85 -141.15 95.1 2.78 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.758 179.639 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 60' ' ' GLU . . . . . 0.414 ' HB2' ' HB ' ' A' ' 62' ' ' THR . 0.7 OUTLIER -82.98 88.15 6.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.812 179.855 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 61' ' ' VAL . . . . . 0.666 HG23 HG21 ' D' ' 124' ' ' THR . 0.0 OUTLIER -72.6 100.71 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.937 0.399 . . . . 0.0 110.998 -179.884 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 62' ' ' THR . . . . . 0.431 ' O ' HD23 ' C' ' 64' ' ' LEU . 2.6 m -84.78 112.37 20.45 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.633 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 63' ' ' LEU . . . . . 0.433 HD12 HG23 ' D' ' 124' ' ' THR . 0.1 OUTLIER -83.78 131.81 34.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.678 179.707 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 64' ' ' LEU . . . . . 0.675 ' N ' HD23 ' C' ' 64' ' ' LEU . 0.1 OUTLIER -114.32 -30.9 6.45 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.024 -179.694 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 65' ' ' ASP . . . . . 0.408 ' HB2' ' CB ' ' A' ' 58' ' ' PHE . 0.4 OUTLIER -71.97 -35.74 69.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.614 179.782 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 66' ' ' ASN . . . . . . . . . . . . . 6.4 t30 . . . . . 0 CA--C 1.515 -0.375 0 CA-C-O 121.418 0.628 . . . . 0.0 110.842 -179.798 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 81' ' ' GLY . . . . . 0.759 ' O ' ' HB2' ' D' ' 85' ' ' ALA . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 109.995 -1.242 . . . . 0.0 109.995 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 82' ' ' LEU . . . . . 0.587 ' O ' HD23 ' D' ' 82' ' ' LEU . 8.8 tt -96.62 -27.13 14.95 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 114.5 -0.85 . . . . 0.0 109.546 178.7 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 83' ' ' LEU . . . . . 0.86 HD23 ' H ' ' D' ' 84' ' ' ALA . 0.8 OUTLIER -72.42 -38.66 68.32 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-N 114.935 -1.029 . . . . 0.0 110.59 179.898 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' D' D ' 84' ' ' ALA . . . . . 0.941 ' HB1' ' HB2' ' D' ' 88' ' ' ALA . . . -109.45 1.82 20.13 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 115.111 -0.949 . . . . 0.0 112.135 -178.26 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 85' ' ' ALA . . . . . 0.9 ' HB1' ' HB3' ' D' ' 126' ' ' LEU . . . -52.93 -24.85 10.16 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 177.742 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 86' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -118.87 -36.75 3.37 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 114.786 -1.097 . . . . 0.0 109.309 177.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 87' ' ' ARG . . . . . 0.87 ' HB2' ' HA ' ' D' ' 84' ' ' ALA . 1.0 OUTLIER -63.06 -56.55 15.98 Favored 'General case' 0 CA--C 1.521 -0.144 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.368 179.079 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' D' D ' 88' ' ' ALA . . . . . 0.941 ' HB2' ' HB1' ' D' ' 84' ' ' ALA . . . -55.75 -32.49 63.45 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.492 -179.647 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 89' ' ' VAL . . . . . 0.785 HG13 ' CD1' ' D' ' 117' ' ' PHE . 68.1 t -68.67 -35.45 70.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.552 178.354 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 1.3 m -75.26 -28.44 59.83 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.78 179.599 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 91' ' ' GLN . . . . . 0.549 ' NE2' ' HA ' ' D' ' 88' ' ' ALA . 17.7 mt-30 -65.04 -57.22 9.22 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-O 121.31 0.576 . . . . 0.0 109.494 179.199 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 92' ' ' VAL . . . . . 0.809 HG11 ' CD2' ' C' ' 18' ' ' LEU . 11.3 t -65.12 -28.03 43.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.221 179.362 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 93' ' ' LEU . . . . . 0.721 HD21 ' HA ' ' D' ' 114' ' ' HIS . 2.6 mt -68.17 -32.33 72.51 Favored 'General case' 0 C--O 1.23 0.043 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.371 179.783 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -89.04 -34.56 16.75 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.704 -179.266 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 95' ' ' SER . . . . . 0.611 ' CB ' HD11 ' C' ' 33' ' ' LEU . 4.2 m -80.09 -20.13 45.84 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.098 0.407 . . . . 0.0 112.098 -179.278 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 96' ' ' LEU . . . . . 0.914 HD12 ' CD2' ' D' ' 114' ' ' HIS . 0.2 OUTLIER -38.34 -50.56 1.49 Allowed 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -179.3 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 74.4 mt-10 -69.13 -33.23 73.13 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.032 -179.342 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 98' ' ' GLU . . . . . 0.798 ' O ' ' HB3' ' D' ' 101' ' ' ALA . 0.0 OUTLIER -68.64 -34.44 75.73 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 177.941 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' D' D ' 99' ' ' ILE . . . . . 0.513 HG12 ' HG ' ' C' ' 25' ' ' LEU . 20.6 mt -60.63 -49.27 85.15 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.843 0 CA-C-N 114.453 -1.249 . . . . 0.0 109.94 178.699 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 100' ' ' HIS . . . . . 0.793 ' HB2' HD11 ' D' ' 110' ' ' LEU . 1.2 t60 -54.6 -40.38 68.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 122.137 0.97 . . . . 0.0 108.647 178.17 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 101' ' ' ALA . . . . . 0.798 ' HB3' ' O ' ' D' ' 98' ' ' GLU . . . -51.27 -45.89 62.22 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 113.607 -1.633 . . . . 0.0 111.987 179.606 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 102' ' ' LEU . . . . . 0.742 HD13 HD23 ' C' ' 25' ' ' LEU . 0.4 OUTLIER -117.3 31.84 6.5 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.744 -0.662 . . . . 0.0 112.747 -177.539 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' D' D ' 103' ' ' THR . . . . . 0.657 HG23 HD12 ' D' ' 102' ' ' LEU . 31.0 p -150.36 -31.34 0.19 Allowed 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.67 179.465 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 2.6 t70 66.53 28.34 9.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.099 0.476 . . . . 0.0 110.16 -179.438 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 105' ' ' SER . . . . . 0.441 ' HB2' ' CZ ' ' C' ' 21' ' ' TYR . 1.2 p -48.14 -81.02 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.022 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 106' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 165.56 107.33 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.177 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 107' ' ' GLU . . . . . 0.681 ' HA ' HD12 ' D' ' 110' ' ' LEU . 10.2 pt-20 -48.35 -37.73 17.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.842 0.353 . . . . 0.0 110.88 -179.66 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.07 -49.0 77.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.091 0.472 . . . . 0.0 109.914 179.246 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 109' ' ' ASP . . . . . 0.728 ' O ' HD12 ' D' ' 113' ' ' LEU . 2.7 m-20 -65.82 -33.36 75.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.884 179.042 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 110' ' ' LEU . . . . . 0.793 HD11 ' HB2' ' D' ' 100' ' ' HIS . 99.6 mt -63.36 -43.74 96.78 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.745 -0.662 . . . . 0.0 109.977 179.289 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 111' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.1 -41.23 97.99 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.359 179.62 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 112' ' ' PHE . . . . . 0.482 ' O ' HG23 ' D' ' 116' ' ' VAL . 1.1 t80 -58.5 -40.95 84.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.22 179.479 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 113' ' ' LEU . . . . . 0.728 HD12 ' O ' ' D' ' 109' ' ' ASP . 0.5 OUTLIER -73.22 -34.09 65.72 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.61 179.824 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' D' D ' 114' ' ' HIS . . . . . 0.914 ' CD2' HD12 ' D' ' 96' ' ' LEU . 37.7 m170 -57.79 -33.41 68.52 Favored 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 177.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 115' ' ' SER . . . . . 0.425 ' HA ' ' HB2' ' D' ' 118' ' ' GLN . 2.8 m -74.54 -39.62 62.22 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.136 178.81 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 116' ' ' VAL . . . . . 0.825 ' O ' HD22 ' D' ' 122' ' ' LEU . 53.1 t -58.03 -22.99 20.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.232 -0.894 . . . . 0.0 110.003 178.371 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 117' ' ' PHE . . . . . 0.785 ' CD1' HG13 ' D' ' 89' ' ' VAL . 32.0 m-85 -106.49 -30.95 8.76 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.583 -179.465 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 118' ' ' GLN . . . . . 0.654 HE22 ' HB3' ' D' ' 114' ' ' HIS . 0.0 OUTLIER -61.42 -32.88 72.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.359 -179.207 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -47.24 123.17 5.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.379 -179.681 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 120' ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -68.58 -44.43 74.41 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.795 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 121' ' ' HIS . . . . . 0.488 ' HB3' ' NE2' ' C' ' 56' ' ' GLN . 8.0 m-70 -55.74 -33.38 64.22 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.704 179.67 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 122' ' ' LEU . . . . . 0.837 HD12 HD12 ' D' ' 125' ' ' LEU . 37.2 tp -55.46 -48.53 74.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.651 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 123' ' ' HIS . . . . . 0.982 ' HA ' HD12 ' D' ' 126' ' ' LEU . 0.0 OUTLIER -53.64 -25.16 16.56 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.013 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' D' D ' 124' ' ' THR . . . . . 0.666 HG21 HG23 ' C' ' 61' ' ' VAL . 1.3 m -77.63 -35.28 52.81 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.532 178.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 125' ' ' LEU . . . . . 0.837 HD12 HD12 ' D' ' 122' ' ' LEU . 7.9 mt -72.7 -31.58 65.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.665 178.618 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 126' ' ' LEU . . . . . 0.982 HD12 ' HA ' ' D' ' 123' ' ' HIS . 3.9 mt -73.54 -49.99 23.66 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.599 -179.594 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 127' ' ' ASP . . . . . 0.438 ' OD1' ' N ' ' D' ' 128' ' ' LEU . 6.4 p30 -67.84 -33.77 75.41 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.243 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 128' ' ' LEU . . . . . 0.848 HD21 ' CD2' ' A' ' 59' ' ' TYR . 46.6 mt -75.19 -34.16 61.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.07 0.462 . . . . 0.0 110.478 179.715 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 129' ' ' TYR . . . . . 0.722 ' CE2' HG23 ' C' ' 43' ' ' ILE . 0.2 OUTLIER -62.55 -50.67 70.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.866 -179.571 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' D' D ' 130' ' ' ASP . . . . . 0.417 ' HB3' ' HB2' ' D' ' 82' ' ' LEU . 1.4 t70 -75.27 -27.78 59.53 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.736 -0.386 . . . . 0.0 111.261 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 131' ' ' LYS . . . . . . . . . . . . . 10.4 tttm -58.68 -53.58 56.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.85 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 132' ' ' ILE . . . . . 0.634 ' HB ' HD21 ' C' ' 48' ' ' LEU . 4.0 mt -72.64 -37.44 56.12 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.294 0 CA-C-O 121.079 0.466 . . . . 0.0 110.425 179.623 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 133' ' ' ASN . . . . . 0.447 ' HB2' HD23 ' C' ' 48' ' ' LEU . 39.4 t-20 -59.05 -25.63 63.89 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.631 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 134' ' ' THR . . . . . 0.676 HG22 ' O ' ' D' ' 134' ' ' THR . 90.2 m -94.29 27.32 2.95 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.048 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 135' ' ' LYS . . . . . 0.446 ' HG3' ' O ' ' D' ' 134' ' ' THR . 0.1 OUTLIER 41.36 32.36 0.21 Allowed 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.753 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' D' D ' 136' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.911 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.475 ' HD3' HG22 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -63.3 -39.64 95.13 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 121.249 0.547 . . . . 0.0 109.725 179.147 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -76.84 -28.4 55.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.151 179.107 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.804 ' HB3' HG22 ' B' ' 116' ' ' VAL . 0.8 OUTLIER -79.19 -29.89 43.14 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.434 179.636 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.58 HG22 ' CE1' ' A' ' 44' ' ' PHE . 1.5 p -74.12 -43.84 56.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.46 179.581 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.474 ' HA ' HD23 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -69.79 -38.31 76.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.22 179.683 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -74.88 -24.47 58.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.101 179.022 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.906 ' CB ' HG11 ' B' ' 116' ' ' VAL . . . -78.63 -51.47 9.84 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.796 179.144 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.773 ' O ' HD12 ' A' ' 41' ' ' ILE . 0.4 OUTLIER -64.81 -28.71 69.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.888 179.734 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 55.4 t60 -73.49 -44.54 57.65 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 179.073 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.91 HD22 ' CE1' ' A' ' 21' ' ' TYR . 1.3 mt -61.66 -46.57 89.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.936 179.143 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.693 ' HB3' HG23 ' A' ' 37' ' ' ILE . 11.6 mt -59.28 -37.24 77.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.614 179.639 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.447 ' CG ' HG21 ' A' ' 41' ' ' ILE . 9.6 mt-10 -59.9 -48.2 82.66 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.292 0.568 . . . . 0.0 110.443 179.374 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.63 -31.12 70.92 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.468 178.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.91 ' CE1' HD22 ' A' ' 17' ' ' LEU . 7.2 m-30 -67.16 -49.07 66.05 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.769 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.476 ' HA ' HD12 ' A' ' 37' ' ' ILE . 6.2 ptm180 -58.9 -32.64 69.71 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 178.506 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.5 p -58.07 -54.7 44.02 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.912 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.724 ' HZ3' ' HA ' ' A' ' 21' ' ' TYR . 0.0 OUTLIER -100.06 6.35 45.01 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.109 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.962 HD12 HD11 ' A' ' 37' ' ' ILE . 0.0 OUTLIER -93.35 -58.81 2.19 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.59 0.233 . . . . 0.0 111.214 179.583 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.495 ' HB2' ' HB2' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -69.92 -16.06 63.16 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.027 0.38 . . . . 0.0 112.027 -178.852 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.419 ' OE1' ' NH1' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -75.2 57.99 0.9 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.98 0.419 . . . . 0.0 110.802 -179.907 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.622 HG23 ' N ' ' A' ' 29' ' ' GLU . 7.6 t -174.67 -58.49 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.799 -179.66 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.622 ' N ' HG23 ' A' ' 28' ' ' THR . 12.0 pt-20 -171.0 29.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.06 -0.518 . . . . 0.0 112.307 -178.847 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.552 ' HB2' HD22 ' A' ' 25' ' ' LEU . 2.6 m-20 -139.18 43.46 2.04 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.773 0.32 . . . . 0.0 111.53 -179.788 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.419 ' NH1' ' OE1' ' A' ' 27' ' ' GLN . 8.6 mmm180 -54.9 -46.21 74.8 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.289 0.566 . . . . 0.0 110.182 179.383 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -56.76 -46.43 81.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.762 -0.653 . . . . 0.0 109.661 178.756 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.657 HD21 ' HB3' ' B' ' 95' ' ' SER . 5.4 tp -55.96 -30.77 62.22 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.763 178.828 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.495 ' HB2' ' HB2' ' A' ' 26' ' ' SER . 0.2 OUTLIER -60.67 -49.85 75.86 Favored 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 178.579 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.6 t -54.7 -35.47 63.67 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.797 178.683 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.509 ' HB2' HG22 ' B' ' 92' ' ' VAL . 1.1 m -65.57 -51.67 58.06 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.079 178.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.962 HD11 HD12 ' A' ' 25' ' ' LEU . 66.4 mt -57.01 -44.03 82.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.756 179.028 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.64 -42.37 71.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.481 -0.782 . . . . 0.0 110.757 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.504 ' HB2' ' HB1' ' B' ' 88' ' ' ALA . 3.5 mtt180 -56.08 -52.63 63.6 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-O 121.269 0.557 . . . . 0.0 109.929 179.109 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.738 HG12 ' CD2' ' A' ' 44' ' ' PHE . 3.7 t -60.29 -32.83 51.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.256 -0.883 . . . . 0.0 110.644 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.773 HD12 ' O ' ' A' ' 15' ' ' LEU . 4.7 mm -70.94 -53.1 22.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.575 179.793 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.9 p -63.26 -48.45 78.15 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-O 120.946 0.403 . . . . 0.0 110.689 -179.435 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 7.1 mt -59.71 -33.28 51.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.119 179.215 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.738 ' CD2' HG12 ' A' ' 40' ' ' VAL . 0.3 OUTLIER -72.33 -56.17 5.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.945 -0.57 . . . . 0.0 112.121 179.648 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -82.39 4.29 24.64 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 -178.17 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 p -50.39 173.6 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.71 0.29 . . . . 0.0 110.605 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -87.24 -38.16 16.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.849 0.357 . . . . 0.0 111.197 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.806 ' O ' HD12 ' A' ' 48' ' ' LEU . 1.4 tp -79.68 -43.94 21.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.682 -179.574 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.402 ' CE1' ' HB2' ' B' ' 125' ' ' LEU . 28.4 t80 -50.98 -56.28 13.2 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.609 0.242 . . . . 0.0 111.403 -179.356 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -53.94 -37.29 63.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.812 0.339 . . . . 0.0 110.579 179.759 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.556 ' CB ' HG23 ' D' ' 132' ' ' ILE . . . -58.87 -47.31 85.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.404 179.504 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.416 HD13 ' O ' ' B' ' 125' ' ' LEU . 2.3 mt -59.05 -45.65 90.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.305 179.418 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.88 HG12 HD13 ' B' ' 125' ' ' LEU . 28.5 mt -56.17 -34.0 38.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.724 179.707 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -73.17 -34.76 66.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.316 179.393 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.837 HG22 ' HB2' ' A' ' 59' ' ' TYR . 90.1 mt -65.67 -41.83 91.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.774 179.732 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.782 ' NE2' HD21 ' B' ' 125' ' ' LEU . 2.3 tt0 -52.26 -23.72 6.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.524 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.403 ' O ' ' CD2' ' A' ' 58' ' ' PHE . 34.1 mt-10 -47.48 -30.04 3.15 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.706 0.289 . . . . 0.0 111.246 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.418 ' CB ' ' HB2' ' C' ' 65' ' ' ASP . 61.6 m-85 -157.54 26.91 0.29 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.425 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.868 ' CD2' HD21 ' D' ' 128' ' ' LEU . 26.4 m-85 -135.41 74.51 1.52 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.585 179.612 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -62.55 95.9 0.08 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.828 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.475 HG23 HG21 ' B' ' 124' ' ' THR . 0.0 OUTLIER -72.83 96.81 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.973 0.416 . . . . 0.0 110.648 179.86 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.2 m -77.82 120.28 22.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.809 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.751 HD11 ' CE2' ' C' ' 59' ' ' TYR . 0.0 OUTLIER -92.16 126.11 37.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.418 179.494 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.638 HD23 ' N ' ' A' ' 64' ' ' LEU . 0.1 OUTLIER -109.77 -30.25 7.94 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.005 -179.712 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.416 ' HB2' ' CG ' ' C' ' 58' ' ' PHE . 0.7 OUTLIER -65.92 -43.43 88.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.466 179.742 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.466 0.333 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.717 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 N-CA-C 110.179 -1.168 . . . . 0.0 110.179 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.763 ' O ' HD23 ' B' ' 82' ' ' LEU . 8.8 tt -104.53 -15.93 15.2 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 114.713 -0.744 . . . . 0.0 110.044 179.089 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 83' ' ' LEU . . . . . 0.984 HD23 ' H ' ' B' ' 84' ' ' ALA . 0.7 OUTLIER -76.19 -40.36 52.57 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.286 -179.489 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.984 ' H ' HD23 ' B' ' 83' ' ' LEU . . . -81.98 -20.95 37.47 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.551 -0.75 . . . . 0.0 112.5 -178.23 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 85' ' ' ALA . . . . . 0.907 ' HB1' ' HB3' ' B' ' 126' ' ' LEU . . . -52.31 -23.25 5.5 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.213 -0.595 . . . . 0.0 110.092 179.63 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.12 -38.31 2.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.888 178.581 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 87' ' ' ARG . . . . . 0.685 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 38.8 ttt85 -67.42 -43.02 82.23 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.593 179.397 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 88' ' ' ALA . . . . . 0.957 ' HB2' ' HB1' ' B' ' 84' ' ' ALA . . . -70.05 -40.46 75.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.897 -179.757 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 89' ' ' VAL . . . . . 0.592 HG12 ' HB3' ' B' ' 117' ' ' PHE . 39.3 t -70.76 -37.99 71.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.546 179.523 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 13.8 t -76.2 -40.92 51.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.385 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 91' ' ' GLN . . . . . 0.444 ' NE2' ' HA ' ' B' ' 88' ' ' ALA . 6.2 pt20 -66.02 -49.38 67.94 Favored 'General case' 0 CA--C 1.52 -0.196 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 92' ' ' VAL . . . . . 0.64 HG23 ' O ' ' B' ' 88' ' ' ALA . 51.3 t -66.29 -27.83 41.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.426 177.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 93' ' ' LEU . . . . . 0.736 HD21 ' HA ' ' B' ' 114' ' ' HIS . 1.7 mt -61.17 -43.53 98.74 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.133 179.451 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -78.13 -27.29 48.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.987 -179.631 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 95' ' ' SER . . . . . 0.657 ' HB3' HD21 ' A' ' 33' ' ' LEU . 6.8 m -79.63 -24.58 41.81 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.616 -179.612 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 96' ' ' LEU . . . . . 0.913 HD22 HD22 ' B' ' 110' ' ' LEU . 0.2 OUTLIER -38.84 -52.32 1.74 Allowed 'General case' 0 N--CA 1.464 0.275 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 -179.379 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 -68.87 -28.48 66.74 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.174 -179.269 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 98' ' ' GLU . . . . . 0.761 ' O ' ' HB3' ' B' ' 101' ' ' ALA . 0.2 OUTLIER -70.08 -36.65 75.08 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.842 -1.17 . . . . 0.0 107.842 177.605 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 99' ' ' ILE . . . . . 0.583 ' O ' HG23 ' B' ' 103' ' ' THR . 38.9 mt -59.09 -47.43 90.1 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.675 0 CA-C-N 114.39 -1.277 . . . . 0.0 109.861 178.264 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 100' ' ' HIS . . . . . 0.888 ' HB2' HD11 ' B' ' 110' ' ' LEU . 0.2 OUTLIER -60.36 -33.87 73.05 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 178.414 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 101' ' ' ALA . . . . . 0.761 ' HB3' ' O ' ' B' ' 98' ' ' GLU . . . -57.26 -41.64 80.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.599 -1.182 . . . . 0.0 112.041 179.611 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 102' ' ' LEU . . . . . 0.772 HD13 HD23 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -119.22 30.62 7.03 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -177.244 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 103' ' ' THR . . . . . 0.61 HG23 HD12 ' B' ' 102' ' ' LEU . 32.4 p -146.37 -36.15 0.26 Allowed 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.896 -0.321 . . . . 0.0 111.387 179.598 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 2.0 t0 73.72 27.34 1.75 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.986 0.422 . . . . 0.0 110.474 -179.393 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 1.9 m -52.19 -78.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.896 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 168.42 108.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.406 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -48.58 -32.6 8.36 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.726 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 4.7 tptt -67.1 -44.36 80.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.91 179.152 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 109' ' ' ASP . . . . . 0.729 ' O ' HD12 ' B' ' 113' ' ' LEU . 7.1 m-20 -65.74 -34.17 77.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.053 179.159 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 110' ' ' LEU . . . . . 0.913 HD22 HD22 ' B' ' 96' ' ' LEU . 14.0 mt -63.94 -45.5 88.9 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.223 179.403 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.77 -39.87 90.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.51 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 112' ' ' PHE . . . . . 0.519 ' O ' HG23 ' B' ' 116' ' ' VAL . 0.6 OUTLIER -60.49 -44.64 95.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.7 179.825 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 113' ' ' LEU . . . . . 0.734 HD11 ' CD1' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -70.58 -31.97 69.18 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.164 -179.639 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 114' ' ' HIS . . . . . 0.736 ' HA ' HD21 ' B' ' 93' ' ' LEU . 0.0 OUTLIER -62.25 -37.95 87.41 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 178.784 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 3.0 m -71.83 -35.78 70.0 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 178.146 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 116' ' ' VAL . . . . . 0.906 HG11 ' CB ' ' A' ' 14' ' ' ALA . 41.7 t -64.41 -23.12 32.67 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 CA-C-N 115.189 -0.914 . . . . 0.0 109.629 178.001 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 117' ' ' PHE . . . . . 0.592 ' HB3' HG12 ' B' ' 89' ' ' VAL . 7.4 m-30 -104.19 -22.54 13.38 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.699 -179.634 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 118' ' ' GLN . . . . . 0.425 ' HB2' ' O ' ' B' ' 114' ' ' HIS . 0.7 OUTLIER -77.94 -32.56 51.6 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.695 0.283 . . . . 0.0 111.39 -179.463 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -41.59 118.42 1.07 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.836 -179.258 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.85 -41.37 91.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.514 179.734 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 31.6 m-70 -55.51 -33.51 63.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.335 179.428 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 122' ' ' LEU . . . . . 0.845 HD22 ' O ' ' B' ' 116' ' ' VAL . 36.8 tp -55.93 -48.99 74.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.062 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 123' ' ' HIS . . . . . 0.938 ' HA ' HD12 ' B' ' 126' ' ' LEU . 0.7 OUTLIER -56.78 -26.02 56.67 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.928 0.394 . . . . 0.0 110.094 179.515 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 124' ' ' THR . . . . . 0.475 HG21 HG23 ' A' ' 61' ' ' VAL . 2.7 m -72.89 -37.45 67.27 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 178.785 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 125' ' ' LEU . . . . . 0.88 HD13 HG12 ' A' ' 53' ' ' ILE . 2.4 mt -72.62 -32.75 66.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.438 178.448 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 126' ' ' LEU . . . . . 0.938 HD12 ' HA ' ' B' ' 123' ' ' HIS . 10.5 mt -72.22 -48.71 40.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.935 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -62.87 -53.29 56.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.059 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 128' ' ' LEU . . . . . 0.869 HD21 ' CD2' ' C' ' 59' ' ' TYR . 19.0 mt -61.28 -37.33 82.79 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.748 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 129' ' ' TYR . . . . . 0.522 ' O ' HD23 ' A' ' 48' ' ' LEU . 3.4 t80 -55.92 -51.03 69.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.7 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 130' ' ' ASP . . . . . 0.501 ' CG ' ' HA ' ' B' ' 82' ' ' LEU . 10.2 m-20 -76.09 -33.81 59.51 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.291 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.94 -53.91 49.46 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.064 -179.735 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 132' ' ' ILE . . . . . 0.81 HG21 HD13 ' C' ' 48' ' ' LEU . 2.3 mt -73.4 -38.76 53.95 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.425 0 CA-C-O 121.048 0.451 . . . . 0.0 110.685 179.644 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 133' ' ' ASN . . . . . 0.462 ' HB2' HD23 ' A' ' 48' ' ' LEU . 20.7 t-20 -59.91 -29.53 68.42 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.88 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 134' ' ' THR . . . . . 0.537 HG22 ' O ' ' B' ' 134' ' ' THR . 85.5 m -89.72 3.5 52.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.323 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 1.8 mmtt 76.55 -0.16 3.09 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.64 -0.254 . . . . 0.0 111.494 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--N 1.328 -0.344 0 CA-C-O 120.815 0.34 . . . . 0.0 110.754 -179.993 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 7' ' ' ARG . . . . . 0.474 ' HA ' ' OD2' ' C' ' 10' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 110.217 -0.29 . . . . 0.0 110.217 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.51 -33.24 74.5 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-O 120.989 0.423 . . . . 0.0 110.148 179.177 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 16.9 mm100 -77.24 -32.53 55.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.698 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 10' ' ' ASP . . . . . 0.478 ' OD1' ' N ' ' C' ' 11' ' ' THR . 11.1 p30 -80.96 -28.25 35.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.115 0.483 . . . . 0.0 109.877 179.15 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 11' ' ' THR . . . . . 0.642 HG23 ' CE2' ' C' ' 44' ' ' PHE . 65.1 m -68.93 -47.05 66.7 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.184 179.256 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.45 -46.71 72.27 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-O 120.971 0.415 . . . . 0.0 110.27 179.345 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 16.8 tpp85 -64.24 -24.03 67.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.174 179.187 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 14' ' ' ALA . . . . . 0.77 ' CB ' HG11 ' D' ' 116' ' ' VAL . . . -78.19 -55.99 4.82 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 179.094 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 15' ' ' LEU . . . . . 0.836 ' HA ' HD12 ' C' ' 18' ' ' LEU . 0.4 OUTLIER -63.84 -28.16 69.67 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.468 178.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 16' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -67.43 -46.66 72.49 Favored 'General case' 0 CA--C 1.517 -0.322 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 178.422 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 17' ' ' LEU . . . . . 0.931 HD22 ' CZ ' ' C' ' 21' ' ' TYR . 2.4 mt -63.96 -35.14 79.7 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.183 178.272 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 18' ' ' LEU . . . . . 0.836 HD12 ' HA ' ' C' ' 15' ' ' LEU . 36.4 mt -63.81 -44.24 93.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.484 179.375 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.54 -38.58 84.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.792 -179.745 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -75.76 -34.54 60.26 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.45 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 21' ' ' TYR . . . . . 0.931 ' CZ ' HD22 ' C' ' 17' ' ' LEU . 18.7 m-85 -69.84 -47.67 61.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.563 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 22' ' ' ARG . . . . . 0.445 ' HB2' ' HG3' ' C' ' 34' ' ' ARG . 20.9 ptt85 -58.69 -48.1 82.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.344 179.478 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 40.5 t -54.84 -40.67 69.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.823 179.483 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 24' ' ' LYS . . . . . . . . . . . . . 8.8 ptmt -96.88 6.26 48.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.606 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 25' ' ' LEU . . . . . 0.796 HD11 HG12 ' D' ' 99' ' ' ILE . 0.2 OUTLIER -91.85 -56.8 2.95 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -179.174 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 26' ' ' SER . . . . . 0.68 ' HB2' ' HD2' ' C' ' 31' ' ' ARG . 80.9 p -63.75 -28.37 69.83 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.181 -0.463 . . . . 0.0 112.179 -178.387 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 27' ' ' GLN . . . . . 0.441 ' OE1' ' NH1' ' C' ' 31' ' ' ARG . 0.3 OUTLIER -70.48 56.4 0.17 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.972 0.415 . . . . 0.0 111.57 -178.802 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 28' ' ' THR . . . . . 0.671 HG23 ' H ' ' C' ' 29' ' ' GLU . 9.1 t -177.23 -61.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.511 179.454 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 29' ' ' GLU . . . . . 0.671 ' H ' HG23 ' C' ' 28' ' ' THR . 12.8 pt-20 -177.63 28.76 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.565 -179.387 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 30' ' ' ASP . . . . . 0.491 ' HB2' HD22 ' C' ' 25' ' ' LEU . 4.2 m-20 -136.69 49.55 2.06 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.915 0.388 . . . . 0.0 110.405 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 31' ' ' ARG . . . . . 0.68 ' HD2' ' HB2' ' C' ' 26' ' ' SER . 14.1 mmm180 -65.59 -47.35 76.05 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.456 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -59.45 -45.75 90.72 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.21 0.529 . . . . 0.0 109.776 178.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 33' ' ' LEU . . . . . 0.808 HD11 ' OG ' ' D' ' 95' ' ' SER . 13.2 tp -58.61 -32.22 68.79 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.325 179.269 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 34' ' ' ARG . . . . . 0.63 ' HB2' ' HB3' ' C' ' 26' ' ' SER . 9.6 ttt180 -63.39 -38.95 93.11 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.798 -0.815 . . . . 0.0 108.798 178.442 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 21.0 t -59.89 -40.63 89.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.31 178.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 36' ' ' SER . . . . . 0.6 ' HB3' ' NE2' ' D' ' 91' ' ' GLN . 0.1 OUTLIER -64.33 -51.27 64.24 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.103 0.478 . . . . 0.0 110.247 179.38 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 37' ' ' ILE . . . . . 0.792 ' CD1' HD12 ' C' ' 25' ' ' LEU . 58.4 mt -57.62 -37.47 58.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.392 0.615 . . . . 0.0 109.736 178.618 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -61.4 -52.24 65.42 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.012 -0.994 . . . . 0.0 112.733 -179.08 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 39' ' ' ARG . . . . . 0.528 ' HG2' ' O ' ' C' ' 36' ' ' SER . 6.9 ptp180 -58.45 -39.54 80.15 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.12 -0.632 . . . . 0.0 110.394 -179.359 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 40' ' ' VAL . . . . . 0.442 HG21 HG21 ' D' ' 92' ' ' VAL . 61.8 t -60.76 -36.15 69.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 121.036 0.446 . . . . 0.0 109.88 178.065 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 41' ' ' ILE . . . . . 0.716 HG12 ' O ' ' C' ' 37' ' ' ILE . 19.3 mm -61.27 -61.62 1.5 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.695 179.788 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 11.7 t -52.62 -46.66 67.12 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-O 121.113 0.482 . . . . 0.0 110.646 -179.21 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 43' ' ' ILE . . . . . 0.659 HG21 HD23 ' D' ' 126' ' ' LEU . 5.5 mt -61.06 -34.14 58.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.007 179.061 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 44' ' ' PHE . . . . . 0.807 ' HB3' HD22 ' C' ' 15' ' ' LEU . 1.3 m-85 -72.33 -56.52 5.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.931 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 45' ' ' GLN . . . . . 0.402 ' HG2' ' O ' ' C' ' 41' ' ' ILE . 19.5 pt20 -79.77 0.25 31.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.846 -179.16 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 46' ' ' SER . . . . . 0.414 ' OG ' ' CZ ' ' D' ' 129' ' ' TYR . 0.3 OUTLIER -51.81 139.48 21.59 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.83 0.348 . . . . 0.0 110.995 -179.872 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.03 -37.72 74.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.409 -179.563 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 48' ' ' LEU . . . . . 0.81 HD13 HG21 ' B' ' 132' ' ' ILE . 3.1 tp -79.09 -41.81 27.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.267 -179.631 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 49' ' ' PHE . . . . . 0.429 ' CE1' ' HB2' ' D' ' 125' ' ' LEU . 75.9 t80 -51.21 -53.66 32.91 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.836 0.351 . . . . 0.0 111.14 -179.735 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -57.6 -37.05 72.59 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.511 179.621 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.71 -42.3 88.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.168 179.438 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 52' ' ' LEU . . . . . 0.549 HD21 ' HB3' ' D' ' 128' ' ' LEU . 0.9 OUTLIER -62.28 -43.69 98.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.956 179.058 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 18.7 mt -53.16 -40.86 40.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.499 179.372 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -68.55 -36.38 78.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.339 179.23 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 55' ' ' ILE . . . . . 0.65 HG22 ' HB2' ' C' ' 59' ' ' TYR . 76.1 mt -60.51 -44.1 95.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.632 179.508 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 56' ' ' GLN . . . . . 0.525 ' CD ' HD21 ' D' ' 125' ' ' LEU . 5.6 mt-30 -53.07 -23.55 7.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.502 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 57' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -47.27 -31.0 3.42 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.431 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 58' ' ' PHE . . . . . 0.416 ' CG ' ' HB2' ' A' ' 65' ' ' ASP . 61.9 m-85 -157.36 24.23 0.3 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.65 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 59' ' ' TYR . . . . . 0.869 ' CD2' HD21 ' B' ' 128' ' ' LEU . 16.8 m-85 -134.16 73.83 1.51 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.812 0.339 . . . . 0.0 110.724 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -61.62 98.81 0.1 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.795 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 61' ' ' VAL . . . . . 0.471 HG11 HD11 ' D' ' 128' ' ' LEU . 0.0 OUTLIER -72.77 100.14 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.885 0.374 . . . . 0.0 111.057 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 62' ' ' THR . . . . . . . . . . . . . 4.3 m -84.71 117.0 23.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.585 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 63' ' ' LEU . . . . . 0.546 HD11 ' CZ ' ' A' ' 59' ' ' TYR . 0.1 OUTLIER -91.82 129.66 37.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 64' ' ' LEU . . . . . 0.712 ' N ' HD23 ' C' ' 64' ' ' LEU . 0.1 OUTLIER -112.04 -27.3 8.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.011 -179.915 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 65' ' ' ASP . . . . . 0.418 ' HB2' ' CB ' ' A' ' 58' ' ' PHE . 3.3 t0 -69.79 -12.15 61.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.149 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 66' ' ' ASN . . . . . . . . . . . . . 9.9 p-10 . . . . . 0 C--N 1.332 -0.163 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.104 -179.85 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 81' ' ' GLY . . . . . 0.795 ' O ' ' HB2' ' D' ' 85' ' ' ALA . . . . . . . . 0 N--CA 1.448 -0.508 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 82' ' ' LEU . . . . . 0.736 HD21 ' HG2' ' D' ' 131' ' ' LYS . 1.1 mp -93.48 -35.86 12.74 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 178.396 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 83' ' ' LEU . . . . . 0.806 HD23 ' H ' ' D' ' 84' ' ' ALA . 0.7 OUTLIER -59.94 -36.6 77.42 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 114.817 -1.083 . . . . 0.0 110.462 179.398 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' D' D ' 84' ' ' ALA . . . . . 0.946 ' HB1' ' HB2' ' D' ' 88' ' ' ALA . . . -115.31 2.01 13.89 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.303 -0.862 . . . . 0.0 112.653 -177.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 85' ' ' ALA . . . . . 0.905 ' HB1' ' HB2' ' D' ' 126' ' ' LEU . . . -53.17 -26.11 16.07 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 177.843 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 86' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -118.72 -37.13 3.32 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 114.683 -1.144 . . . . 0.0 109.039 177.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 87' ' ' ARG . . . . . 0.792 ' HB2' ' HA ' ' D' ' 84' ' ' ALA . 0.1 OUTLIER -60.85 -57.1 14.08 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.043 178.896 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' D' D ' 88' ' ' ALA . . . . . 0.946 ' HB2' ' HB1' ' D' ' 84' ' ' ALA . . . -56.58 -42.36 78.52 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.697 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 89' ' ' VAL . . . . . 0.701 HG13 ' CD1' ' D' ' 117' ' ' PHE . 34.2 t -64.11 -32.48 57.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.104 179.065 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 8.5 p -76.45 -26.77 55.78 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.91 179.46 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 91' ' ' GLN . . . . . 0.656 ' HG3' ' O ' ' D' ' 87' ' ' ARG . 9.0 mt-30 -65.87 -55.02 19.19 Favored 'General case' 0 CA--C 1.513 -0.472 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 179.112 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 92' ' ' VAL . . . . . 0.764 HG11 ' CD2' ' C' ' 18' ' ' LEU . 3.5 t -66.07 -28.46 43.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.036 -0.983 . . . . 0.0 110.239 179.436 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 93' ' ' LEU . . . . . 0.589 HD21 ' HA ' ' D' ' 114' ' ' HIS . 1.2 mt -73.47 -26.78 61.07 Favored 'General case' 0 C--O 1.23 0.077 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.301 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -87.14 -43.55 12.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.858 0.361 . . . . 0.0 110.859 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 95' ' ' SER . . . . . 0.808 ' OG ' HD11 ' C' ' 33' ' ' LEU . 8.9 p -80.07 -13.18 59.5 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.899 -179.667 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 96' ' ' LEU . . . . . 0.869 HD22 HD22 ' D' ' 110' ' ' LEU . 0.2 OUTLIER -40.4 -52.24 2.75 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -179.178 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -68.69 -28.11 66.56 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.126 -179.345 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 98' ' ' GLU . . . . . 0.794 ' OE2' HD21 ' D' ' 102' ' ' LEU . 0.0 OUTLIER -70.96 -36.16 72.45 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.861 -1.162 . . . . 0.0 107.861 178.118 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' D' D ' 99' ' ' ILE . . . . . 0.796 HG12 HD11 ' C' ' 25' ' ' LEU . 72.4 mt -59.24 -49.21 84.27 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.683 0 CA-C-N 114.6 -1.182 . . . . 0.0 109.646 178.364 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 100' ' ' HIS . . . . . 0.806 ' HB2' HD11 ' D' ' 110' ' ' LEU . 0.2 OUTLIER -57.51 -35.98 70.95 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 178.652 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' D' D ' 101' ' ' ALA . . . . . 0.768 ' HB3' ' O ' ' D' ' 98' ' ' GLU . . . -54.69 -43.58 72.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 114.471 -1.24 . . . . 0.0 111.945 179.446 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 102' ' ' LEU . . . . . 0.794 HD21 ' OE2' ' D' ' 98' ' ' GLU . 0.3 OUTLIER -118.18 31.77 6.51 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.673 -0.694 . . . . 0.0 112.628 -177.497 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' D' D ' 103' ' ' THR . . . . . 0.63 HG23 HD12 ' D' ' 102' ' ' LEU . 35.1 p -148.71 -29.16 0.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 4.5 t70 75.84 21.8 1.57 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.171 0.51 . . . . 0.0 110.497 -179.259 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 105' ' ' SER . . . . . 0.461 ' CB ' ' CE1' ' C' ' 21' ' ' TYR . 37.4 p -56.73 -22.9 38.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.012 179.476 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 106' ' ' SER . . . . . . . . . . . . . 1.1 t 80.35 123.51 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.437 -179.619 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -51.84 -24.18 5.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.198 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 30.5 mmtm -60.05 -55.31 35.5 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.979 0.418 . . . . 0.0 110.235 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 109' ' ' ASP . . . . . 0.659 ' O ' HD12 ' D' ' 113' ' ' LEU . 6.9 m-20 -63.22 -34.6 78.01 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.774 179.03 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 110' ' ' LEU . . . . . 0.869 HD22 HD22 ' D' ' 96' ' ' LEU . 46.8 mt -64.98 -42.54 94.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.287 179.296 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 111' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.3 -44.83 92.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.638 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 112' ' ' PHE . . . . . 0.409 ' O ' HG23 ' D' ' 116' ' ' VAL . 0.4 OUTLIER -58.98 -47.3 85.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.389 179.751 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' D' D ' 113' ' ' LEU . . . . . 0.691 HD11 ' CD1' ' C' ' 17' ' ' LEU . 0.5 OUTLIER -69.28 -33.88 73.87 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.179 179.687 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' D' D ' 114' ' ' HIS . . . . . 0.589 ' HA ' HD21 ' D' ' 93' ' ' LEU . 2.5 m80 -54.99 -40.16 69.81 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 178.703 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 115' ' ' SER . . . . . 0.477 ' HA ' ' HB2' ' D' ' 118' ' ' GLN . 8.4 p -73.48 -36.81 65.86 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.617 178.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 116' ' ' VAL . . . . . 0.823 ' O ' HD22 ' D' ' 122' ' ' LEU . 40.9 t -56.43 -24.78 19.33 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.135 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.645 178.586 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 117' ' ' PHE . . . . . 0.811 ' HZ ' HD11 ' C' ' 18' ' ' LEU . 50.9 m-85 -105.53 -19.97 13.62 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.106 179.782 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 118' ' ' GLN . . . . . 0.477 ' HB2' ' HA ' ' D' ' 115' ' ' SER . 4.2 mm100 -62.44 -41.35 98.67 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.944 0.402 . . . . 0.0 110.551 179.619 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -45.32 133.3 7.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.945 -179.091 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 120' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -77.03 -42.24 39.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.259 179.425 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 121' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -55.73 -33.43 64.23 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.426 179.323 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 122' ' ' LEU . . . . . 0.908 ' O ' HD12 ' D' ' 126' ' ' LEU . 25.0 tp -55.66 -50.05 71.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.047 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 123' ' ' HIS . . . . . 0.451 ' HA ' HD13 ' D' ' 126' ' ' LEU . 0.0 OUTLIER -52.1 -26.74 11.86 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.225 179.026 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' D' D ' 124' ' ' THR . . . . . . . . . . . . . 7.1 m -75.7 -35.34 60.32 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.734 179.232 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 125' ' ' LEU . . . . . 0.525 HD21 ' CD ' ' C' ' 56' ' ' GLN . 16.4 mt -63.36 -45.19 92.3 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.684 179.518 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 126' ' ' LEU . . . . . 0.908 HD12 ' O ' ' D' ' 122' ' ' LEU . 3.3 mp -67.81 -45.47 74.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.168 -179.71 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 127' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -63.37 -49.0 75.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.214 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 128' ' ' LEU . . . . . 0.868 HD21 ' CD2' ' A' ' 59' ' ' TYR . 76.6 mt -60.92 -46.7 89.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.92 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 129' ' ' TYR . . . . . 0.483 ' O ' HD23 ' C' ' 48' ' ' LEU . 0.1 OUTLIER -58.39 -50.74 72.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.154 -179.627 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' D' D ' 130' ' ' ASP . . . . . 0.405 ' OD1' ' CE2' ' D' ' 129' ' ' TYR . 47.3 m-20 -74.04 -17.0 61.03 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.168 -179.754 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 131' ' ' LYS . . . . . 0.736 ' HG2' HD21 ' D' ' 82' ' ' LEU . 0.2 OUTLIER -75.1 -46.14 36.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.909 0.385 . . . . 0.0 110.473 179.422 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' D' D ' 132' ' ' ILE . . . . . 0.556 HG23 ' CB ' ' A' ' 51' ' ' ALA . 2.8 mt -75.47 -35.34 32.17 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.899 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 133' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -72.51 -25.4 61.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.543 -179.417 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 134' ' ' THR . . . . . . . . . . . . . 98.5 m -90.66 -28.65 18.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.842 0.353 . . . . 0.0 110.887 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.81 -32.56 35.24 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.149 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 136' ' ' SER . . . . . . . . . . . . . 50.1 m . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.949 179.822 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.196 0 CA-C-O 120.35 0.119 . . . . 0.0 110.698 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -66.19 -35.78 81.34 Favored 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 109.597 -0.519 . . . . 0.0 109.597 179.17 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -74.75 -26.03 59.5 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.629 178.65 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.697 ' HB3' HG22 ' B' ' 116' ' ' VAL . 37.1 m-20 -83.31 -34.37 25.72 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.328 179.302 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.575 HG22 ' HE1' ' A' ' 44' ' ' PHE . 1.4 p -74.28 -36.42 63.8 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.961 179.303 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.5 ' O ' ' HB2' ' A' ' 16' ' ' HIS . 0.7 OUTLIER -72.86 -46.65 51.72 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.199 179.288 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 -67.82 -23.08 65.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.183 179.207 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.772 ' CB ' HG11 ' B' ' 116' ' ' VAL . . . -78.49 -52.16 8.93 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.05 179.315 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.82 HD22 ' HB3' ' A' ' 44' ' ' PHE . 0.6 OUTLIER -68.49 -24.67 64.71 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.121 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.5 ' HB2' ' O ' ' A' ' 12' ' ' GLN . 1.9 t-160 -73.31 -50.82 20.07 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 178.139 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.891 HD22 ' CE1' ' A' ' 21' ' ' TYR . 0.9 OUTLIER -55.66 -37.63 68.53 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 121.764 0.792 . . . . 0.0 109.01 178.096 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 1.031 HD22 HG23 ' A' ' 37' ' ' ILE . 32.9 mt -61.17 -48.53 81.16 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.474 -1.239 . . . . 0.0 110.798 179.468 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.468 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 0.4 OUTLIER -57.37 -33.65 68.03 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.798 -179.912 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -76.8 -39.51 51.24 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.114 179.502 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.891 ' CE1' HD22 ' A' ' 17' ' ' LEU . 13.7 m-30 -64.85 -47.26 78.58 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.76 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.499 ' HB2' ' CG ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -58.94 -51.08 71.56 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.686 179.695 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.425 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 1.6 p -55.46 -32.58 62.9 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.149 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.5 ptmt -102.5 4.9 39.11 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.556 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.984 HD12 HD11 ' A' ' 37' ' ' ILE . 0.6 OUTLIER -93.35 -63.77 1.17 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.022 0.439 . . . . 0.0 112.085 -179.418 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.677 ' HB2' ' HD2' ' A' ' 31' ' ' ARG . 38.0 p -57.49 -18.16 17.34 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.869 -0.605 . . . . 0.0 112.298 -178.488 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.425 ' HG2' ' O ' ' A' ' 23' ' ' SER . 1.2 mm100 -77.83 49.62 0.79 Allowed 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.782 -0.367 . . . . 0.0 111.661 -179.239 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.48 ' CG2' ' N ' ' A' ' 29' ' ' GLU . 0.9 OUTLIER -176.58 -54.71 0.01 OUTLIER 'General case' 0 CA--C 1.528 0.132 0 N-CA-C 111.687 0.254 . . . . 0.0 111.687 179.288 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.48 ' N ' ' CG2' ' A' ' 28' ' ' THR . 7.6 pt-20 -179.3 27.08 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.772 0.32 . . . . 0.0 111.687 -179.668 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.548 ' CB ' HD22 ' A' ' 25' ' ' LEU . 6.6 m-20 -131.92 47.88 2.48 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.929 0.395 . . . . 0.0 110.748 -179.789 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.677 ' HD2' ' HB2' ' A' ' 26' ' ' SER . 21.2 mmm180 -64.9 -50.07 67.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.415 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -59.88 -46.98 87.6 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.268 0.556 . . . . 0.0 109.856 178.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.707 HD21 ' HB3' ' B' ' 95' ' ' SER . 8.5 tp -55.92 -36.51 67.81 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.452 179.221 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.647 ' HA ' HD12 ' A' ' 37' ' ' ILE . 10.5 ttt180 -60.35 -42.65 96.19 Favored 'General case' 0 CA--C 1.518 -0.261 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 179.118 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.0 t -59.25 -35.3 73.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.902 178.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.73 ' HB3' ' NE2' ' B' ' 91' ' ' GLN . 38.2 m -66.45 -51.27 58.67 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-O 121.258 0.551 . . . . 0.0 110.428 179.339 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 1.031 HG23 HD22 ' A' ' 18' ' ' LEU . 6.1 mt -59.46 -40.89 82.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.91 -0.587 . . . . 0.0 109.593 179.076 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.15 -52.14 66.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 114.987 -1.006 . . . . 0.0 111.86 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.595 ' HD2' HE22 ' B' ' 91' ' ' GLN . 3.8 ptp180 -56.74 -38.01 71.81 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 120.36 -0.536 . . . . 0.0 110.326 -179.755 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.723 HG12 ' CD2' ' A' ' 44' ' ' PHE . 95.6 t -64.43 -31.25 52.78 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 178.357 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.797 HD11 ' CB ' ' A' ' 18' ' ' LEU . 30.4 mm -65.49 -61.83 1.52 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.199 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.04 179.496 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.4 p -52.66 -47.04 67.41 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-O 121.038 0.447 . . . . 0.0 110.4 -179.522 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.577 HG23 ' CE2' ' B' ' 129' ' ' TYR . 24.5 mt -60.59 -32.59 51.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.721 178.71 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.82 ' HB3' HD22 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -72.86 -59.59 2.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.893 179.614 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -80.55 1.1 30.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.937 -178.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -47.54 170.14 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.824 0.345 . . . . 0.0 111.523 -179.619 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -83.15 -36.75 24.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 -179.741 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.766 HD12 ' HA ' ' B' ' 129' ' ' TYR . 0.3 OUTLIER -76.34 -44.54 36.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.495 179.782 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.567 ' CE1' HD23 ' B' ' 126' ' ' LEU . 11.0 t80 -51.2 -56.57 12.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.514 -179.397 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 90.5 mm-40 -53.21 -40.62 64.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.906 0.384 . . . . 0.0 110.722 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.43 -48.79 80.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.688 179.627 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.623 HD13 ' O ' ' B' ' 125' ' ' LEU . 4.0 mt -60.26 -47.28 86.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.571 179.643 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.623 HG12 HD13 ' B' ' 125' ' ' LEU . 47.7 mt -53.41 -34.94 23.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.49 179.448 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -73.24 -32.42 64.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.271 179.217 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.5 HG22 ' HB2' ' A' ' 59' ' ' TYR . 58.2 mt -70.33 -43.75 78.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.22 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.4 -20.54 4.7 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.737 -179.558 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.408 ' O ' ' CG ' ' A' ' 58' ' ' PHE . 24.7 pt-20 -43.59 -36.43 2.1 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.775 0.321 . . . . 0.0 111.421 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.548 ' CG ' ' HB2' ' C' ' 65' ' ' ASP . 68.0 m-85 -158.09 36.56 0.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.25 -179.786 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.959 ' CD2' HD21 ' D' ' 128' ' ' LEU . 15.2 m-85 -132.56 70.09 1.47 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.597 179.791 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.407 ' HB2' ' HB ' ' C' ' 62' ' ' THR . 5.9 mm-40 -55.51 90.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.975 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.578 HG23 HG21 ' B' ' 124' ' ' THR . 0.0 OUTLIER -72.84 98.13 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.007 0.432 . . . . 0.0 110.924 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.425 ' HB ' ' HB2' ' C' ' 60' ' ' GLU . 4.3 m -78.98 120.09 23.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.611 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.464 ' CD1' ' CE2' ' C' ' 59' ' ' TYR . 0.2 OUTLIER -94.17 125.46 38.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.813 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.665 HD23 ' N ' ' A' ' 64' ' ' LEU . 0.1 OUTLIER -105.77 -28.94 10.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 -179.938 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.452 ' CB ' ' CD1' ' C' ' 58' ' ' PHE . 8.3 t0 -158.08 -76.97 0.08 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.21 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.13 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.4 0 N-CA-C 110.14 -1.184 . . . . 0.0 110.14 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.498 HD12 ' HB3' ' B' ' 130' ' ' ASP . 8.9 tt -100.43 -29.77 12.2 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 114.627 -0.787 . . . . 0.0 109.502 179.02 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 83' ' ' LEU . . . . . 0.961 HD23 ' H ' ' B' ' 84' ' ' ALA . 0.3 OUTLIER -84.97 -46.15 11.51 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.133 -0.939 . . . . 0.0 110.938 -179.827 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.961 ' H ' HD23 ' B' ' 83' ' ' LEU . . . -70.36 -29.23 65.86 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.965 -178.739 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 85' ' ' ALA . . . . . 0.664 ' HB1' ' HB3' ' B' ' 126' ' ' LEU . . . -53.11 -26.61 17.07 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.016 0.436 . . . . 0.0 110.352 179.734 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -118.47 -40.62 2.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.832 178.729 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 87' ' ' ARG . . . . . 0.68 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 26.6 ttt85 -65.55 -50.27 65.81 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.159 179.18 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 88' ' ' ALA . . . . . 0.861 ' O ' HG23 ' B' ' 92' ' ' VAL . . . -65.92 -34.7 78.72 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.374 -179.517 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 89' ' ' VAL . . . . . 0.712 HG13 ' CD2' ' B' ' 117' ' ' PHE . 76.2 t -64.36 -57.19 12.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.187 179.558 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.7 -29.08 70.07 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 178.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 91' ' ' GLN . . . . . 0.73 ' NE2' ' HB3' ' A' ' 36' ' ' SER . 3.6 tt0 -63.54 -47.88 79.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.372 -0.831 . . . . 0.0 108.973 178.835 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 92' ' ' VAL . . . . . 0.861 HG23 ' O ' ' B' ' 88' ' ' ALA . 21.4 t -74.63 -28.58 22.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.04 177.545 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 93' ' ' LEU . . . . . 0.736 ' CD1' ' HB2' ' B' ' 117' ' ' PHE . 0.7 OUTLIER -65.18 -31.29 72.4 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.703 179.05 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -80.65 -42.49 22.02 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.138 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 95' ' ' SER . . . . . 0.707 ' HB3' HD21 ' A' ' 33' ' ' LEU . 1.0 OUTLIER -79.35 -12.51 59.92 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.544 179.842 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 96' ' ' LEU . . . . . 0.821 HD22 HD22 ' B' ' 110' ' ' LEU . 0.2 OUTLIER -43.99 -52.23 7.17 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.846 0.355 . . . . 0.0 111.879 -179.485 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -65.95 -27.49 68.2 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.018 -179.5 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 98' ' ' GLU . . . . . 0.767 ' O ' ' HB3' ' B' ' 101' ' ' ALA . 0.2 OUTLIER -70.94 -37.11 72.84 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 178.082 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 99' ' ' ILE . . . . . 0.908 HG12 HD11 ' A' ' 25' ' ' LEU . 84.9 mt -58.55 -49.15 83.38 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.66 0 CA-C-N 114.545 -1.207 . . . . 0.0 109.817 178.452 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 100' ' ' HIS . . . . . 0.81 ' HB2' HD11 ' B' ' 110' ' ' LEU . 0.2 OUTLIER -58.01 -35.67 71.57 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 178.563 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 101' ' ' ALA . . . . . 0.767 ' HB3' ' O ' ' B' ' 98' ' ' GLU . . . -55.37 -42.31 73.77 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.541 -1.208 . . . . 0.0 111.857 179.507 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 102' ' ' LEU . . . . . 0.595 HD12 HG23 ' B' ' 103' ' ' THR . 0.3 OUTLIER -119.59 33.06 5.78 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 -177.473 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 103' ' ' THR . . . . . 0.595 HG23 HD12 ' B' ' 102' ' ' LEU . 40.4 p -151.29 -29.33 0.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 179.797 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 5.2 t70 75.37 22.65 1.64 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.083 0.468 . . . . 0.0 110.596 -179.327 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 105' ' ' SER . . . . . 0.46 ' HB3' ' CE1' ' A' ' 21' ' ' TYR . 0.1 OUTLIER -57.28 -20.0 25.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.029 179.464 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 106' ' ' SER . . . . . 0.412 ' CB ' ' O ' ' B' ' 105' ' ' SER . 4.3 t 80.61 121.04 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.71 -179.762 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -49.86 -27.11 4.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.056 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 10.0 tptt -57.45 -54.52 45.95 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.04 0.447 . . . . 0.0 110.264 179.579 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 109' ' ' ASP . . . . . 0.635 ' O ' HD12 ' B' ' 113' ' ' LEU . 9.2 m-20 -63.46 -35.51 80.67 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.808 179.145 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 110' ' ' LEU . . . . . 0.821 HD22 HD22 ' B' ' 96' ' ' LEU . 53.1 mt -64.18 -40.7 96.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.359 179.354 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -62.21 -42.81 99.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.565 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 112' ' ' PHE . . . . . 0.4 ' CE1' ' CG2' ' B' ' 116' ' ' VAL . 2.6 t80 -59.06 -46.06 89.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.386 179.692 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 113' ' ' LEU . . . . . 0.694 HD11 ' CD1' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -72.44 -31.29 65.34 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.3 179.669 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 114' ' ' HIS . . . . . 0.51 ' HA ' HD11 ' B' ' 93' ' ' LEU . 1.6 t60 -59.64 -36.28 76.07 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 178.138 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 115' ' ' SER . . . . . 0.554 ' HA ' ' HB2' ' B' ' 118' ' ' GLN . 6.9 p -81.11 -39.99 24.77 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.482 178.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 116' ' ' VAL . . . . . 0.868 ' O ' HD22 ' B' ' 122' ' ' LEU . 10.2 t -55.95 -24.51 17.38 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 CA-C-O 121.436 0.636 . . . . 0.0 109.43 178.654 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 117' ' ' PHE . . . . . 0.856 ' HZ ' HD11 ' A' ' 18' ' ' LEU . 7.7 m-30 -98.8 -27.07 14.1 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 114.935 -1.029 . . . . 0.0 111.309 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 118' ' ' GLN . . . . . 0.554 ' HB2' ' HA ' ' B' ' 115' ' ' SER . 0.0 OUTLIER -76.73 -15.71 59.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.924 -178.127 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 -53.6 117.51 3.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.751 0.31 . . . . 0.0 111.101 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 -57.37 -43.58 83.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -60.53 -34.5 74.21 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.8 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 122' ' ' LEU . . . . . 0.868 HD22 ' O ' ' B' ' 116' ' ' VAL . 54.3 tp -56.13 -49.32 74.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.995 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 123' ' ' HIS . . . . . 1.006 ' HA ' HD12 ' B' ' 126' ' ' LEU . 11.7 m170 -55.71 -24.7 36.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.873 0.368 . . . . 0.0 110.202 179.379 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 124' ' ' THR . . . . . 0.578 HG21 HG23 ' A' ' 61' ' ' VAL . 2.4 m -74.94 -38.73 61.67 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 179.006 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 125' ' ' LEU . . . . . 0.837 HD12 HD12 ' B' ' 122' ' ' LEU . 4.1 mt -68.43 -30.8 69.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.758 178.669 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 126' ' ' LEU . . . . . 1.006 HD12 ' HA ' ' B' ' 123' ' ' HIS . 11.7 mt -73.22 -50.43 22.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.59 -179.447 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.56 -50.63 72.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.989 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 128' ' ' LEU . . . . . 0.918 HD21 ' CD2' ' C' ' 59' ' ' TYR . 2.8 mt -70.46 -29.36 65.9 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.494 179.678 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 129' ' ' TYR . . . . . 0.766 ' HA ' HD12 ' A' ' 48' ' ' LEU . 1.2 t80 -55.47 -53.45 56.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.227 -179.285 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 130' ' ' ASP . . . . . 0.498 ' HB3' HD12 ' B' ' 82' ' ' LEU . 0.4 OUTLIER -78.11 -31.41 49.97 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.596 -0.442 . . . . 0.0 111.544 179.768 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 1.4 tttp -54.28 -54.23 42.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.198 -179.47 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 132' ' ' ILE . . . . . 0.763 HD12 ' O ' ' B' ' 128' ' ' LEU . 1.5 mt -78.35 -44.43 26.81 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 CA-C-O 120.948 0.404 . . . . 0.0 110.935 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 133' ' ' ASN . . . . . . . . . . . . . 61.6 t-20 -56.46 -25.94 52.42 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.988 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 134' ' ' THR . . . . . 0.693 HG22 ' HG2' ' B' ' 135' ' ' LYS . 85.2 m -86.64 -54.61 4.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.74 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 135' ' ' LYS . . . . . 0.693 ' HG2' HG22 ' B' ' 134' ' ' THR . 0.0 OUTLIER 164.21 -21.68 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.226 179.762 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 136' ' ' SER . . . . . 0.418 ' HB3' ' HA ' ' C' ' 51' ' ' ALA . 0.4 OUTLIER . . . . . 0 C--N 1.332 -0.182 0 CA-C-O 120.793 0.33 . . . . 0.0 110.786 -179.77 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 7' ' ' ARG . . . . . . . . . . . . . 9.5 ttp-105 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.259 -0.274 . . . . 0.0 110.259 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 8' ' ' LYS . . . . . 0.402 ' HD3' ' CG2' ' C' ' 53' ' ' ILE . 0.1 OUTLIER -61.66 -41.0 96.92 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 121.149 0.499 . . . . 0.0 109.941 179.302 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -77.26 -30.81 54.58 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.24 179.271 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 10' ' ' ASP . . . . . 0.45 ' HB3' HG22 ' D' ' 116' ' ' VAL . 13.2 m-20 -75.7 -29.87 59.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.263 179.535 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 3.2 p -73.21 -50.24 23.55 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.452 179.585 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 12' ' ' GLN . . . . . 0.519 ' HA ' HD23 ' C' ' 15' ' ' LEU . 0.0 OUTLIER -63.98 -32.97 74.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.172 179.504 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 34.8 ttt180 -75.96 -25.65 56.09 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.145 178.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 14' ' ' ALA . . . . . 0.729 ' HB1' HD23 ' D' ' 113' ' ' LEU . . . -78.25 -54.83 5.79 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.523 178.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 15' ' ' LEU . . . . . 0.753 ' HA ' HD12 ' C' ' 18' ' ' LEU . 0.4 OUTLIER -60.5 -28.78 68.64 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.787 179.289 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 16' ' ' HIS . . . . . . . . . . . . . 5.7 m80 -73.46 -41.91 62.58 Favored 'General case' 0 CA--C 1.52 -0.186 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 179.023 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 17' ' ' LEU . . . . . 0.876 HD22 ' CZ ' ' C' ' 21' ' ' TYR . 1.2 mt -62.72 -48.94 77.03 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.319 179.589 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 18' ' ' LEU . . . . . 0.934 ' HB3' HG23 ' C' ' 37' ' ' ILE . 2.3 mt -59.93 -37.01 78.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.468 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.34 -46.28 90.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.009 0.433 . . . . 0.0 110.722 179.628 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.73 -31.27 68.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.199 179.612 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 21' ' ' TYR . . . . . 0.876 ' CZ ' HD22 ' C' ' 17' ' ' LEU . 14.4 m-85 -70.79 -43.92 67.7 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.651 179.38 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 22' ' ' ARG . . . . . 0.58 ' HB2' HG21 ' C' ' 37' ' ' ILE . 3.5 ttt180 -54.18 -48.39 71.0 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.374 179.659 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 98.5 p -58.77 -45.47 89.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.011 179.418 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 24' ' ' LYS . . . . . 0.535 ' O ' HG22 ' D' ' 103' ' ' THR . 12.2 ptmt -93.27 12.35 24.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.932 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 25' ' ' LEU . . . . . 0.879 HD12 HD11 ' C' ' 37' ' ' ILE . 0.0 OUTLIER -116.12 -77.24 0.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.834 0.35 . . . . 0.0 111.411 -179.193 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 26' ' ' SER . . . . . 0.461 ' N ' HD22 ' C' ' 25' ' ' LEU . 4.1 m -56.38 -19.32 14.24 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.07 -0.514 . . . . 0.0 112.213 -178.507 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 27' ' ' GLN . . . . . 0.435 ' OE1' ' NH1' ' C' ' 31' ' ' ARG . 0.8 OUTLIER -77.46 57.79 1.6 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.86 0.362 . . . . 0.0 111.366 -179.577 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 28' ' ' THR . . . . . 0.457 HG23 ' N ' ' C' ' 29' ' ' GLU . 3.6 t -173.47 -51.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.534 179.604 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 29' ' ' GLU . . . . . 0.457 ' N ' HG23 ' C' ' 28' ' ' THR . 19.9 pt-20 -170.79 27.06 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.664 -179.733 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 30' ' ' ASP . . . . . 0.692 ' OD2' HD23 ' C' ' 33' ' ' LEU . 2.1 m-20 -138.69 46.51 1.99 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.907 0.384 . . . . 0.0 111.128 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 31' ' ' ARG . . . . . 0.435 ' NH1' ' OE1' ' C' ' 27' ' ' GLN . 26.8 mmm180 -55.49 -45.68 77.01 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.101 0.477 . . . . 0.0 110.301 179.601 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 27.6 tp60 -58.24 -42.81 87.19 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 178.495 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 33' ' ' LEU . . . . . 0.776 ' HG ' HD11 ' C' ' 25' ' ' LEU . 0.0 OUTLIER -57.62 -31.98 66.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.219 178.385 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 34' ' ' ARG . . . . . 0.458 ' HB2' ' CB ' ' C' ' 26' ' ' SER . 0.0 OUTLIER -60.53 -52.46 65.09 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.879 179.067 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 1.1 t -55.5 -34.22 64.41 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.347 179.566 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 36' ' ' SER . . . . . 0.718 ' HB2' HG22 ' D' ' 92' ' ' VAL . 0.8 OUTLIER -67.69 -51.97 43.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.53 179.447 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 37' ' ' ILE . . . . . 0.934 HG23 ' HB3' ' C' ' 18' ' ' LEU . 57.4 mt -60.43 -41.74 88.59 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 179.067 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -54.95 -43.34 73.33 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.234 179.364 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 39' ' ' ARG . . . . . 0.415 ' HB3' ' CB ' ' D' ' 88' ' ' ALA . 6.5 mtt180 -57.1 -50.9 71.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.807 178.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 40' ' ' VAL . . . . . 0.602 ' O ' ' HB2' ' C' ' 44' ' ' PHE . 9.8 t -60.48 -30.96 47.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.708 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 41' ' ' ILE . . . . . 0.67 HD12 ' O ' ' C' ' 15' ' ' LEU . 4.9 mm -70.5 -52.98 24.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 C-N-CA 120.964 -0.295 . . . . 0.0 111.283 179.759 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 6.3 p -66.31 -47.78 72.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.827 0.346 . . . . 0.0 111.221 -179.145 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 43' ' ' ILE . . . . . 0.779 HG23 ' CE2' ' D' ' 129' ' ' TYR . 9.6 mt -59.87 -34.43 55.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.367 179.681 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 44' ' ' PHE . . . . . 0.652 ' HB3' HD22 ' C' ' 15' ' ' LEU . 2.9 m-85 -72.94 -54.85 7.59 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.999 179.536 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 45' ' ' GLN . . . . . 0.429 ' HG2' ' O ' ' C' ' 41' ' ' ILE . 14.7 pt20 -79.32 -9.4 59.57 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.67 0.618 . . . . 0.0 112.67 -178.062 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 46' ' ' SER . . . . . 0.438 ' OG ' ' HB2' ' C' ' 49' ' ' PHE . 7.6 p -47.63 133.47 13.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.952 0.406 . . . . 0.0 111.128 -179.551 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -50.56 -26.04 4.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.741 -179.45 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 48' ' ' LEU . . . . . 0.81 HD21 ' HB ' ' D' ' 132' ' ' ILE . 0.4 OUTLIER -79.61 -46.75 16.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.882 0.373 . . . . 0.0 110.562 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 49' ' ' PHE . . . . . 0.75 ' CE2' HD11 ' C' ' 53' ' ' ILE . 56.8 t80 -50.64 -56.14 13.22 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.347 -179.236 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 78.4 mm-40 -56.07 -38.54 70.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.008 0.433 . . . . 0.0 110.444 179.447 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 51' ' ' ALA . . . . . 0.418 ' HA ' ' HB3' ' B' ' 136' ' ' SER . . . -59.29 -47.12 86.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.513 179.606 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 52' ' ' LEU . . . . . 0.619 HD13 ' O ' ' D' ' 125' ' ' LEU . 3.3 mt -61.19 -45.96 92.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.327 179.593 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 53' ' ' ILE . . . . . 0.75 HD11 ' CE2' ' C' ' 49' ' ' PHE . 19.4 mt -54.67 -33.51 27.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.378 179.357 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -72.87 -34.85 66.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.423 179.355 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 55' ' ' ILE . . . . . 0.739 HD11 ' CG1' ' B' ' 132' ' ' ILE . 69.8 mt -68.43 -51.41 47.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.894 179.749 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 56' ' ' GLN . . . . . 0.441 ' OE1' HD21 ' D' ' 125' ' ' LEU . 11.1 pt20 -52.22 -23.52 5.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.38 -179.688 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 57' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -48.28 -30.68 5.05 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.819 0.342 . . . . 0.0 110.933 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 58' ' ' PHE . . . . . 0.452 ' CD1' ' CB ' ' A' ' 65' ' ' ASP . 52.0 m-85 -152.56 23.53 0.61 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.303 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 59' ' ' TYR . . . . . 0.918 ' CD2' HD21 ' B' ' 128' ' ' LEU . 52.3 m-85 -134.0 71.3 1.45 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.457 179.619 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 60' ' ' GLU . . . . . 0.425 ' HB2' ' HB ' ' A' ' 62' ' ' THR . 0.2 OUTLIER -55.23 96.88 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.056 -179.658 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 61' ' ' VAL . . . . . 0.598 HG23 HG21 ' D' ' 124' ' ' THR . 0.0 OUTLIER -78.46 97.08 2.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.076 179.761 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 62' ' ' THR . . . . . 0.407 ' HB ' ' HB2' ' A' ' 60' ' ' GLU . 5.1 m -87.62 118.0 26.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.594 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 63' ' ' LEU . . . . . 0.756 HD22 ' HB3' ' C' ' 66' ' ' ASN . 0.1 OUTLIER -91.25 133.91 35.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.832 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 64' ' ' LEU . . . . . 0.738 ' N ' HD23 ' C' ' 64' ' ' LEU . 0.1 OUTLIER -118.66 -21.38 7.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.531 -179.834 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 65' ' ' ASP . . . . . 0.548 ' HB2' ' CG ' ' A' ' 58' ' ' PHE . 38.8 t70 -115.04 15.47 17.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.884 0.373 . . . . 0.0 111.236 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 66' ' ' ASN . . . . . 0.756 ' HB3' HD22 ' C' ' 63' ' ' LEU . 3.7 p-10 . . . . . 0 C--N 1.327 -0.381 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.155 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 N-CA-C 109.6 -1.4 . . . . 0.0 109.6 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 82' ' ' LEU . . . . . 0.589 ' O ' HD23 ' D' ' 82' ' ' LEU . 7.8 tt -98.71 -21.33 16.46 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 114.295 -0.952 . . . . 0.0 109.435 178.502 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 83' ' ' LEU . . . . . 1.033 HD23 ' H ' ' D' ' 84' ' ' ALA . 0.3 OUTLIER -82.43 -47.6 12.06 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.228 -179.132 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' D' D ' 84' ' ' ALA . . . . . 1.033 ' H ' HD23 ' D' ' 83' ' ' LEU . . . -70.92 -26.0 63.01 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.448 -178.707 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 85' ' ' ALA . . . . . 0.9 ' HB1' ' HB3' ' D' ' 126' ' ' LEU . . . -52.85 -25.99 13.28 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.074 0.464 . . . . 0.0 110.143 179.456 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 86' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -122.12 -41.77 2.41 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.866 178.485 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 87' ' ' ARG . . . . . 0.672 ' HB3' ' O ' ' D' ' 83' ' ' LEU . 21.2 ttt-85 -63.23 -44.9 93.94 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.328 179.272 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 88' ' ' ALA . . . . . 0.717 ' HB3' ' O ' ' D' ' 84' ' ' ALA . . . -68.74 -41.97 78.24 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.02 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 89' ' ' VAL . . . . . 0.763 HG13 ' CD1' ' D' ' 117' ' ' PHE . 41.8 t -68.52 -38.58 79.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.892 179.589 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 6.6 t -76.28 -39.88 53.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.341 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 91' ' ' GLN . . . . . 0.456 ' HG3' ' HB3' ' C' ' 36' ' ' SER . 5.7 pt20 -67.08 -46.44 74.27 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.797 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 92' ' ' VAL . . . . . 0.718 HG22 ' HB2' ' C' ' 36' ' ' SER . 59.5 t -68.69 -27.83 37.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.438 178.173 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 93' ' ' LEU . . . . . 0.744 HD21 ' HA ' ' D' ' 114' ' ' HIS . 2.5 mt -63.05 -40.42 97.64 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.922 179.376 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -81.11 -27.03 35.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.073 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 95' ' ' SER . . . . . 0.774 ' HB3' HD21 ' C' ' 33' ' ' LEU . 24.2 m -79.25 -23.09 43.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.337 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 96' ' ' LEU . . . . . 0.62 HD22 HD22 ' D' ' 110' ' ' LEU . 0.6 OUTLIER -40.26 -52.81 2.62 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.9 0.381 . . . . 0.0 111.889 -179.692 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -64.95 -29.0 69.91 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.312 -179.07 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 98' ' ' GLU . . . . . 0.78 ' O ' ' HB3' ' D' ' 101' ' ' ALA . 0.0 OUTLIER -70.93 -39.59 72.57 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 177.752 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' D' D ' 99' ' ' ILE . . . . . 0.48 HG23 ' HG ' ' C' ' 25' ' ' LEU . 53.9 mt -60.32 -49.32 84.68 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.814 0 CA-C-N 114.148 -1.387 . . . . 0.0 110.107 178.61 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 100' ' ' HIS . . . . . 0.862 ' HB2' HD11 ' D' ' 110' ' ' LEU . 0.2 OUTLIER -58.32 -33.76 69.85 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 178.535 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' D' D ' 101' ' ' ALA . . . . . 0.78 ' HB3' ' O ' ' D' ' 98' ' ' GLU . . . -55.74 -42.91 76.08 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 114.631 -1.168 . . . . 0.0 111.746 179.485 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 102' ' ' LEU . . . . . 0.831 HD13 HD23 ' C' ' 25' ' ' LEU . 0.3 OUTLIER -117.02 23.07 12.14 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 -177.521 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' D' D ' 103' ' ' THR . . . . . 0.615 HG23 HD12 ' D' ' 102' ' ' LEU . 36.3 p -144.46 -5.42 0.75 Allowed 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 23.8 t0 53.12 22.51 2.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.995 0.426 . . . . 0.0 110.981 -179.237 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 105' ' ' SER . . . . . 0.46 ' HB2' ' CE1' ' C' ' 21' ' ' TYR . 58.1 p -56.59 -23.98 44.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.863 179.647 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 106' ' ' SER . . . . . . . . . . . . . 3.6 t 79.37 124.78 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.823 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 107' ' ' GLU . . . . . 0.444 ' HA ' HD12 ' D' ' 110' ' ' LEU . 0.9 OUTLIER -53.6 -23.97 12.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.844 179.913 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -56.9 -55.05 39.5 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.09 0.471 . . . . 0.0 110.01 179.393 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 109' ' ' ASP . . . . . 0.597 ' O ' HD12 ' D' ' 113' ' ' LEU . 3.6 m-20 -63.27 -41.17 98.99 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.629 178.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 110' ' ' LEU . . . . . 0.862 HD11 ' HB2' ' D' ' 100' ' ' HIS . 88.2 mt -61.02 -34.0 74.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.071 179.106 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 111' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -64.97 -46.42 81.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.591 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 112' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -58.52 -39.44 80.14 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.194 179.627 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 113' ' ' LEU . . . . . 0.729 HD23 ' HB1' ' C' ' 14' ' ' ALA . 0.5 OUTLIER -75.13 -36.42 61.6 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.554 179.72 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' D' D ' 114' ' ' HIS . . . . . 0.744 ' HA ' HD21 ' D' ' 93' ' ' LEU . 0.0 OUTLIER -59.42 -28.79 67.25 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 178.769 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' D' D ' 115' ' ' SER . . . . . 0.413 ' N ' ' CD2' ' D' ' 114' ' ' HIS . 0.3 OUTLIER -79.13 -38.44 36.09 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 177.883 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' D' D ' 116' ' ' VAL . . . . . 0.873 ' O ' HD22 ' D' ' 122' ' ' LEU . 11.5 t -60.93 -23.34 29.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 115.177 -0.92 . . . . 0.0 109.633 178.072 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 117' ' ' PHE . . . . . 0.763 ' CD1' HG13 ' D' ' 89' ' ' VAL . 25.5 m-85 -99.17 -40.37 8.01 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.284 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 118' ' ' GLN . . . . . 0.57 ' NE2' ' ND1' ' D' ' 114' ' ' HIS . 0.0 OUTLIER -59.71 -30.22 68.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.614 -179.14 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -44.17 116.07 0.95 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.661 -179.42 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 120' ' ' GLN . . . . . 0.454 ' O ' ' CD2' ' D' ' 123' ' ' HIS . 0.7 OUTLIER -59.91 -42.47 93.97 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.538 179.773 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' D' D ' 121' ' ' HIS . . . . . 0.418 ' O ' ' HG ' ' D' ' 125' ' ' LEU . 0.5 OUTLIER -55.42 -33.58 63.68 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.352 179.453 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' D' D ' 122' ' ' LEU . . . . . 0.873 HD22 ' O ' ' D' ' 116' ' ' VAL . 36.8 tp -55.69 -47.5 76.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.989 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 123' ' ' HIS . . . . . 0.912 ' HA ' HD12 ' D' ' 126' ' ' LEU . 0.0 OUTLIER -57.66 -24.47 56.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.999 0.428 . . . . 0.0 110.15 179.39 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' D' D ' 124' ' ' THR . . . . . 0.598 HG21 HG23 ' C' ' 61' ' ' VAL . 1.4 m -75.0 -38.03 61.69 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.479 178.826 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 125' ' ' LEU . . . . . 0.768 HD12 HD12 ' D' ' 122' ' ' LEU . 1.7 mt -73.18 -28.38 62.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.5 178.314 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 126' ' ' LEU . . . . . 0.912 HD12 ' HA ' ' D' ' 123' ' ' HIS . 18.9 mt -73.1 -50.27 23.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.963 -179.724 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 127' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -60.59 -46.55 89.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.287 179.472 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 128' ' ' LEU . . . . . 0.959 HD21 ' CD2' ' A' ' 59' ' ' TYR . 12.9 mt -70.43 -29.88 66.59 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.451 179.53 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 129' ' ' TYR . . . . . 0.779 ' CE2' HG23 ' C' ' 43' ' ' ILE . 1.0 OUTLIER -56.74 -51.6 68.24 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.857 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' D' D ' 130' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -76.11 -31.4 58.65 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.66 -0.416 . . . . 0.0 111.367 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 131' ' ' LYS . . . . . . . . . . . . . 4.1 mttp -54.47 -54.09 45.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.793 0.33 . . . . 0.0 110.987 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 132' ' ' ILE . . . . . 0.81 ' HB ' HD21 ' C' ' 48' ' ' LEU . 2.6 mt -76.74 -40.12 32.07 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.648 179.678 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 133' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -59.67 -25.73 64.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.903 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 134' ' ' THR . . . . . 0.464 HG22 ' O ' ' D' ' 134' ' ' THR . 52.8 m -76.04 -3.1 34.0 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.338 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 135' ' ' LYS . . . . . 0.461 ' HG3' ' O ' ' D' ' 134' ' ' THR . 0.1 OUTLIER 44.2 34.84 1.07 Allowed 'General case' 0 N--CA 1.461 0.104 0 CA-C-O 120.89 0.376 . . . . 0.0 111.71 179.888 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' D' D ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.151 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 20.6 ttm-85 . . . . . 0 N--CA 1.454 -0.245 0 N-CA-C 110.45 -0.204 . . . . 0.0 110.45 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.558 ' HG2' HG21 ' A' ' 53' ' ' ILE . 28.6 mttt -65.28 -36.93 85.62 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-O 121.2 0.524 . . . . 0.0 109.624 179.013 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -76.82 -29.48 55.97 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.874 178.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.75 -30.89 40.91 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.463 179.658 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.5 p -75.97 -39.94 54.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.396 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.27 -37.43 74.87 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.846 -0.428 . . . . 0.0 109.846 179.285 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.54 -27.33 62.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.867 178.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.902 ' CB ' HG11 ' B' ' 116' ' ' VAL . . . -78.32 -55.29 5.36 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 178.857 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.706 HD22 ' HB3' ' A' ' 44' ' ' PHE . 0.3 OUTLIER -62.07 -27.27 68.79 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.53 179.088 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -73.56 -46.19 48.89 Favored 'General case' 0 CA--C 1.518 -0.256 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 178.678 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.874 HD22 ' CE1' ' A' ' 21' ' ' TYR . 1.5 mt -61.9 -37.91 86.4 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.316 178.646 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.92 ' CD2' HG11 ' B' ' 92' ' ' VAL . 39.0 mt -61.21 -42.35 98.45 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.902 179.714 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -63.11 -43.52 98.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.061 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -71.68 -34.5 69.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.232 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.874 ' CE1' HD22 ' A' ' 17' ' ' LEU . 11.7 m-30 -69.95 -44.01 70.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.047 179.598 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.652 ' HA ' HD12 ' A' ' 37' ' ' ILE . 1.8 ttt-85 -55.42 -51.09 68.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.845 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.0 p -58.57 -43.84 89.55 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.069 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.4 ptmt -85.41 -1.42 57.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.752 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 1.061 HD12 HD11 ' A' ' 37' ' ' ILE . 0.2 OUTLIER -90.03 -69.26 0.73 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.809 0.338 . . . . 0.0 111.006 -179.752 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.488 ' HB2' ' HB2' ' A' ' 34' ' ' ARG . 36.2 t -62.0 -146.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.826 -179.357 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 50.0 26.11 1.92 Allowed 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 121.066 0.46 . . . . 0.0 110.209 -179.299 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.539 HG23 ' N ' ' A' ' 29' ' ' GLU . 12.9 t -149.86 -53.74 0.16 Allowed 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.77 -179.768 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.539 ' N ' HG23 ' A' ' 28' ' ' THR . 13.5 pt-20 -179.57 27.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.702 -179.693 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.416 ' CB ' HD22 ' A' ' 25' ' ' LEU . 1.0 OUTLIER -142.92 52.04 1.4 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.961 0.41 . . . . 0.0 111.091 -179.802 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.77 -55.03 30.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.439 0.637 . . . . 0.0 110.297 179.573 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.5 tp60 -52.56 -50.21 63.38 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.791 178.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.821 HD21 ' HB3' ' B' ' 95' ' ' SER . 8.8 tp -54.8 -31.3 58.82 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.892 178.651 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.488 ' HB2' ' HB2' ' A' ' 26' ' ' SER . 10.5 ttp180 -60.46 -46.65 89.29 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.367 178.795 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.6 m -59.09 -34.79 72.41 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.15 178.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.405 ' HB3' ' CB ' ' B' ' 91' ' ' GLN . 0.8 OUTLIER -63.63 -51.84 63.45 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.584 179.691 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 1.061 HD11 HD12 ' A' ' 25' ' ' LEU . 33.4 mt -59.37 -41.09 83.25 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.285 0 CA-C-O 121.209 0.528 . . . . 0.0 109.774 179.009 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -58.04 -41.8 84.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.456 179.554 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.413 ' HB3' ' CB ' ' B' ' 88' ' ' ALA . 6.8 mtt180 -55.72 -50.46 70.29 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-O 121.239 0.542 . . . . 0.0 109.631 179.105 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.646 ' HB ' HD13 ' A' ' 18' ' ' LEU . 8.8 t -60.42 -28.65 42.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.663 179.592 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.72 HD11 ' HB3' ' A' ' 18' ' ' LEU . 13.0 mm -70.26 -55.46 14.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.627 179.701 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.2 p -63.79 -47.35 81.25 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-O 120.813 0.34 . . . . 0.0 111.099 -178.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 5.7 mt -59.7 -35.38 59.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.396 179.558 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.706 ' HB3' HD22 ' A' ' 15' ' ' LEU . 2.6 m-85 -72.6 -56.2 5.7 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.702 179.609 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.421 ' HG2' ' O ' ' A' ' 41' ' ' ILE . 15.2 pt20 -79.18 -0.04 30.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.962 -178.648 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.23 150.18 2.59 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.834 0.35 . . . . 0.0 111.002 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -66.19 -35.9 81.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.35 -179.554 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.872 ' O ' HD12 ' A' ' 48' ' ' LEU . 0.5 OUTLIER -79.7 -43.33 22.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.137 -179.713 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -50.6 -56.26 12.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.273 -179.546 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -55.17 -36.32 65.73 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.063 0.459 . . . . 0.0 110.446 179.552 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.457 ' HB3' ' O ' ' A' ' 48' ' ' LEU . . . -59.34 -49.2 78.75 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.375 179.323 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.531 HD13 ' O ' ' B' ' 125' ' ' LEU . 2.1 mt -57.71 -46.64 84.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.263 179.366 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.927 HG12 HD13 ' B' ' 125' ' ' LEU . 25.9 mt -56.69 -31.26 34.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.551 179.498 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -73.12 -33.67 65.68 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.071 179.094 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.847 HG22 ' HB2' ' A' ' 59' ' ' TYR . 64.4 mt -67.54 -45.91 84.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.674 179.502 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.22 -25.14 2.08 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.599 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.42 ' O ' ' CD2' ' A' ' 58' ' ' PHE . 11.7 mm-40 -45.58 -34.94 3.64 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.218 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.479 ' CD1' ' HB3' ' C' ' 65' ' ' ASP . 62.0 m-85 -155.36 30.69 0.38 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.221 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.847 ' HB2' HG22 ' A' ' 55' ' ' ILE . 35.5 m-85 -136.34 70.41 1.42 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.503 179.509 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.416 ' HB2' ' HB ' ' C' ' 62' ' ' THR . 3.4 mm-40 -58.94 102.92 0.14 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.635 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.526 ' CG2' HG21 ' B' ' 124' ' ' THR . 0.0 OUTLIER -81.64 96.72 3.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.82 179.877 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.413 ' HB ' ' HB2' ' C' ' 60' ' ' GLU . 20.2 m -74.26 118.96 17.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.243 179.699 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.761 HD11 ' CE2' ' C' ' 59' ' ' TYR . 0.0 OUTLIER -93.59 120.91 34.44 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.033 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.765 HD23 ' N ' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -99.31 -28.38 13.33 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.064 179.53 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.495 ' HB2' ' CD1' ' C' ' 58' ' ' PHE . 0.7 OUTLIER -164.64 -85.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.599 179.424 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.629 -0.26 . . . . 0.0 111.045 179.648 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.522 ' O ' HD23 ' B' ' 82' ' ' LEU . 7.6 tt -97.88 -23.96 15.62 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 114.349 -0.926 . . . . 0.0 109.34 178.326 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 83' ' ' LEU . . . . . 0.961 HD23 ' H ' ' B' ' 84' ' ' ALA . 0.3 OUTLIER -80.99 -47.21 13.93 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.751 -179.538 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.961 ' H ' HD23 ' B' ' 83' ' ' LEU . . . -74.86 -25.56 59.06 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.731 -178.762 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 85' ' ' ALA . . . . . 0.932 ' HB1' ' HB3' ' B' ' 126' ' ' LEU . . . -52.94 -24.27 8.98 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.003 0.43 . . . . 0.0 110.224 179.52 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -123.07 -40.15 2.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.687 178.585 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 87' ' ' ARG . . . . . 0.703 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 28.0 ttt180 -65.21 -48.49 73.17 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.211 179.082 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 88' ' ' ALA . . . . . 0.763 ' HB2' ' HB1' ' B' ' 84' ' ' ALA . . . -65.02 -40.75 95.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.678 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 89' ' ' VAL . . . . . 0.491 ' CG1' ' HB3' ' B' ' 117' ' ' PHE . 48.9 t -61.5 -36.74 75.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.963 179.089 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 90' ' ' SER . . . . . 0.41 ' HA ' ' HB2' ' B' ' 93' ' ' LEU . 1.6 t -76.05 -23.54 55.11 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.783 179.483 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 91' ' ' GLN . . . . . 0.478 HE21 ' HG2' ' B' ' 87' ' ' ARG . 53.2 mt-30 -68.53 -55.69 10.84 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-O 121.32 0.581 . . . . 0.0 109.525 179.465 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 92' ' ' VAL . . . . . 0.92 HG11 ' CD2' ' A' ' 18' ' ' LEU . 2.9 t -67.8 -28.05 40.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.041 179.355 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 93' ' ' LEU . . . . . 0.705 HD21 ' HA ' ' B' ' 114' ' ' HIS . 2.9 mt -67.46 -34.39 77.09 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.985 179.572 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -86.97 -40.75 14.49 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.033 0.444 . . . . 0.0 111.079 -179.613 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 95' ' ' SER . . . . . 0.821 ' HB3' HD21 ' A' ' 33' ' ' LEU . 1.8 m -79.83 -17.65 52.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.213 -179.42 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 96' ' ' LEU . . . . . 0.945 HD12 ' CD2' ' B' ' 114' ' ' HIS . 0.2 OUTLIER -39.0 -52.12 1.8 Allowed 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -179.335 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -67.35 -30.09 69.81 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.486 -179.342 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 98' ' ' GLU . . . . . 0.806 ' O ' ' HB3' ' B' ' 101' ' ' ALA . 0.1 OUTLIER -69.88 -35.74 74.9 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 178.043 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 99' ' ' ILE . . . . . 0.538 ' O ' HG23 ' B' ' 103' ' ' THR . 45.2 mt -61.05 -48.78 87.5 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.843 0 CA-C-N 114.361 -1.29 . . . . 0.0 109.921 178.409 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 100' ' ' HIS . . . . . 0.778 ' HB2' HD11 ' B' ' 110' ' ' LEU . 0.2 OUTLIER -56.78 -35.41 68.67 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 178.267 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 101' ' ' ALA . . . . . 0.806 ' HB3' ' O ' ' B' ' 98' ' ' GLU . . . -54.23 -45.81 72.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.434 -1.257 . . . . 0.0 111.719 179.252 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 102' ' ' LEU . . . . . 0.765 HD21 ' OE2' ' B' ' 98' ' ' GLU . 0.4 OUTLIER -117.24 32.27 6.26 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.46 -0.791 . . . . 0.0 112.493 -177.625 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 103' ' ' THR . . . . . 0.659 HG23 HD12 ' B' ' 102' ' ' LEU . 41.8 p -147.39 -31.55 0.31 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 111.72 0.267 . . . . 0.0 111.72 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 11.8 t70 76.44 23.05 1.18 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.98 0.419 . . . . 0.0 110.576 -179.492 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 105' ' ' SER . . . . . 0.47 ' HB3' ' CE1' ' A' ' 21' ' ' TYR . 0.3 OUTLIER -59.66 -20.29 55.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.983 179.662 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 106' ' ' SER . . . . . 0.403 ' CB ' ' O ' ' B' ' 105' ' ' SER . 3.9 t 79.89 123.18 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.702 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -51.1 -26.65 6.81 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.095 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.58 -55.08 38.39 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.11 0.481 . . . . 0.0 110.255 179.655 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 109' ' ' ASP . . . . . 0.714 ' O ' HD12 ' B' ' 113' ' ' LEU . 70.5 m-20 -64.74 -35.33 80.73 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.837 179.179 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 110' ' ' LEU . . . . . 0.937 HD22 HD22 ' B' ' 96' ' ' LEU . 31.0 mt -64.15 -36.4 83.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.093 179.282 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -65.6 -44.97 84.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.345 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 112' ' ' PHE . . . . . 0.615 ' O ' HG23 ' B' ' 116' ' ' VAL . 1.2 t80 -58.83 -40.8 85.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.585 179.661 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 113' ' ' LEU . . . . . 0.714 HD12 ' O ' ' B' ' 109' ' ' ASP . 0.5 OUTLIER -73.79 -32.2 63.64 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.929 -179.784 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 114' ' ' HIS . . . . . 0.945 ' CD2' HD12 ' B' ' 96' ' ' LEU . 35.4 m170 -60.05 -35.33 74.91 Favored 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 177.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 115' ' ' SER . . . . . 0.417 ' HA ' ' HB2' ' B' ' 118' ' ' GLN . 56.8 m -73.35 -38.43 65.73 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.171 178.684 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 116' ' ' VAL . . . . . 0.902 HG11 ' CB ' ' A' ' 14' ' ' ALA . 74.7 t -61.92 -23.2 30.68 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 CA-C-N 115.287 -0.869 . . . . 0.0 109.984 178.377 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 117' ' ' PHE . . . . . 0.673 ' CZ ' HD11 ' A' ' 18' ' ' LEU . 6.3 m-30 -107.74 -16.0 14.43 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.648 -179.613 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 118' ' ' GLN . . . . . 0.626 HE22 ' HB3' ' B' ' 114' ' ' HIS . 0.0 OUTLIER -78.01 -35.28 50.1 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 120.772 0.32 . . . . 0.0 111.33 -179.469 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -43.49 134.74 3.91 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.748 -179.295 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -75.16 -40.66 59.4 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.579 179.754 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -55.78 -33.68 64.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.32 179.488 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 122' ' ' LEU . . . . . 0.803 HD22 ' O ' ' B' ' 116' ' ' VAL . 50.1 tp -55.92 -47.12 78.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.492 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 123' ' ' HIS . . . . . 0.967 ' HA ' HD12 ' B' ' 126' ' ' LEU . 49.0 m-70 -57.74 -25.71 60.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.291 179.319 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 124' ' ' THR . . . . . 0.573 HG22 HD11 ' B' ' 128' ' ' LEU . 4.1 m -73.32 -39.58 65.16 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 178.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 125' ' ' LEU . . . . . 0.927 HD13 HG12 ' A' ' 53' ' ' ILE . 1.9 mt -68.77 -31.58 70.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.704 178.557 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 126' ' ' LEU . . . . . 0.967 HD12 ' HA ' ' B' ' 123' ' ' HIS . 11.2 mt -73.22 -51.0 19.34 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.247 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -60.03 -50.62 73.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.031 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 128' ' ' LEU . . . . . 0.943 HD21 ' CD2' ' C' ' 59' ' ' TYR . 9.2 mt -68.25 -30.01 68.96 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.761 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 129' ' ' TYR . . . . . 0.461 ' O ' ' HB2' ' B' ' 133' ' ' ASN . 8.0 t80 -57.35 -53.01 62.93 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.868 -179.401 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 130' ' ' ASP . . . . . 0.429 ' OD2' ' HB2' ' B' ' 82' ' ' LEU . 2.2 t70 -76.77 -28.44 55.67 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.659 -0.416 . . . . 0.0 111.356 179.579 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 2.2 tptp -54.74 -52.5 62.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.99 -179.675 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 132' ' ' ILE . . . . . 0.752 HD12 ' O ' ' B' ' 128' ' ' LEU . 1.7 mt -77.26 -41.06 30.14 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.014 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 133' ' ' ASN . . . . . 0.529 ' HB2' HD23 ' A' ' 48' ' ' LEU . 1.9 t-20 -58.66 -25.89 63.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.704 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 134' ' ' THR . . . . . 0.566 HG22 ' O ' ' B' ' 134' ' ' THR . 90.8 m -84.44 5.91 25.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.458 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 135' ' ' LYS . . . . . 0.511 ' HG2' ' O ' ' B' ' 134' ' ' THR . 0.0 OUTLIER 34.0 36.98 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.179 0.514 . . . . 0.0 111.733 -179.931 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.91 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 7' ' ' ARG . . . . . . . . . . . . . 8.6 ttm-85 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.33 -37.2 84.69 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-O 121.163 0.506 . . . . 0.0 109.78 179.016 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -75.65 -30.3 59.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.99 179.147 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -77.48 -31.5 53.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.311 179.607 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 1.1 p -72.29 -43.98 63.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.671 179.682 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 12' ' ' GLN . . . . . 0.602 ' HA ' HD23 ' C' ' 15' ' ' LEU . 0.1 OUTLIER -69.46 -35.35 75.54 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.27 179.504 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 23.0 ttt-85 -73.67 -25.19 60.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.965 179.059 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 14' ' ' ALA . . . . . 0.749 ' HB1' HD23 ' D' ' 113' ' ' LEU . . . -78.37 -55.0 5.58 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 179.02 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 15' ' ' LEU . . . . . 0.863 HD22 ' HB3' ' C' ' 44' ' ' PHE . 0.3 OUTLIER -61.39 -26.11 67.63 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.577 179.238 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 16' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -73.4 -43.88 59.58 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 178.451 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 17' ' ' LEU . . . . . 0.947 HD22 ' CE1' ' C' ' 21' ' ' TYR . 1.3 mt -61.89 -48.43 80.54 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.269 179.407 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 18' ' ' LEU . . . . . 1.035 HD22 HG11 ' D' ' 92' ' ' VAL . 6.2 mt -59.02 -37.6 77.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.31 179.704 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -57.69 -47.17 83.11 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.313 0.577 . . . . 0.0 110.368 179.357 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 20' ' ' GLU . . . . . 0.501 ' O ' ' HG3' ' C' ' 24' ' ' LYS . 18.5 mm-40 -71.34 -29.39 64.93 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.063 179.437 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 21' ' ' TYR . . . . . 0.947 ' CE1' HD22 ' C' ' 17' ' ' LEU . 6.1 m-30 -68.43 -49.42 60.08 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.388 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 22' ' ' ARG . . . . . 0.401 ' HB2' ' HG3' ' C' ' 34' ' ' ARG . 29.1 ptt85 -57.45 -42.72 83.04 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.893 0.378 . . . . 0.0 110.362 179.268 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 3.9 m -58.94 -37.36 76.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.841 179.556 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 24' ' ' LYS . . . . . 0.501 ' HG3' ' O ' ' C' ' 20' ' ' GLU . 0.0 OUTLIER -110.32 17.47 20.85 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.624 -179.861 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 25' ' ' LEU . . . . . 0.738 HD12 HD11 ' C' ' 37' ' ' ILE . 0.1 OUTLIER -105.71 -61.13 1.54 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.188 0.518 . . . . 0.0 110.059 179.61 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 26' ' ' SER . . . . . 0.403 ' OG ' ' CG ' ' C' ' 34' ' ' ARG . 1.2 m -65.04 -152.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.911 -179.635 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 27' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 57.76 23.25 9.34 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-O 120.938 0.399 . . . . 0.0 110.678 -179.665 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 28' ' ' THR . . . . . 0.676 HG23 ' H ' ' C' ' 29' ' ' GLU . 4.8 t -145.02 -59.88 0.35 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.043 -179.422 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 29' ' ' GLU . . . . . 0.676 ' H ' HG23 ' C' ' 28' ' ' THR . 17.2 pt-20 -174.69 27.97 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.283 -179.355 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -138.18 48.03 1.98 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.971 0.415 . . . . 0.0 110.922 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 -63.67 -52.31 61.25 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.147 0.499 . . . . 0.0 110.046 179.523 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.18 -43.91 78.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.637 178.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 33' ' ' LEU . . . . . 0.582 HD21 ' HB3' ' D' ' 95' ' ' SER . 8.6 tp -56.41 -34.53 66.84 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.864 178.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 34' ' ' ARG . . . . . 0.403 ' CG ' ' OG ' ' C' ' 26' ' ' SER . 1.8 ttp180 -60.47 -46.32 90.52 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.33 178.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.82 -32.91 69.82 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.065 178.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 36' ' ' SER . . . . . 0.441 ' HB3' ' CB ' ' D' ' 91' ' ' GLN . 0.5 OUTLIER -70.05 -51.39 32.41 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.081 179.218 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 37' ' ' ILE . . . . . 0.953 HG23 ' HB3' ' C' ' 18' ' ' LEU . 57.6 mt -56.84 -40.79 73.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.524 178.687 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.58 -41.51 94.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.82 179.623 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 39' ' ' ARG . . . . . 0.457 ' HB3' ' CB ' ' D' ' 88' ' ' ALA . 9.4 mtt180 -55.57 -49.62 72.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.142 0.496 . . . . 0.0 109.749 179.404 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 40' ' ' VAL . . . . . 0.636 HG21 HG21 ' D' ' 92' ' ' VAL . 24.5 t -60.18 -33.44 53.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.591 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 41' ' ' ILE . . . . . 0.786 HD11 ' HB2' ' C' ' 18' ' ' LEU . 13.5 mm -70.45 -50.29 46.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.809 0.337 . . . . 0.0 111.117 179.58 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 4.5 t -64.09 -48.4 76.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.728 -179.579 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 43' ' ' ILE . . . . . 0.773 HG23 ' CE2' ' D' ' 129' ' ' TYR . 5.1 mt -59.93 -33.53 53.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.143 179.488 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 44' ' ' PHE . . . . . 0.863 ' HB3' HD22 ' C' ' 15' ' ' LEU . 3.8 m-85 -72.01 -53.08 14.04 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.023 179.197 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 45' ' ' GLN . . . . . 0.772 ' NE2' HG22 ' C' ' 41' ' ' ILE . 30.8 mt-30 -55.17 -54.74 39.43 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.913 -179.643 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 46' ' ' SER . . . . . 0.506 ' C ' ' O ' ' C' ' 45' ' ' GLN . 53.6 p -17.13 118.08 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.322 -179.062 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -49.65 -26.23 3.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.712 -179.456 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 48' ' ' LEU . . . . . 0.775 ' O ' HD12 ' C' ' 48' ' ' LEU . 1.7 tp -78.11 -46.8 19.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.678 0.275 . . . . 0.0 110.946 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 49' ' ' PHE . . . . . 0.563 ' CE1' HD11 ' C' ' 53' ' ' ILE . 56.1 t80 -50.81 -55.56 16.3 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.785 0.326 . . . . 0.0 110.533 -179.809 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.09 -37.74 83.77 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.148 0.499 . . . . 0.0 109.934 178.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.68 -41.49 86.31 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.885 179.089 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 52' ' ' LEU . . . . . 0.536 HD21 ' CB ' ' D' ' 128' ' ' LEU . 0.3 OUTLIER -60.75 -43.06 98.45 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.555 178.717 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 53' ' ' ILE . . . . . 0.759 HG12 HD13 ' D' ' 125' ' ' LEU . 19.9 mt -56.16 -35.39 41.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.406 179.026 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -73.28 -31.9 64.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.457 179.541 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 55' ' ' ILE . . . . . 0.656 HG22 ' HB2' ' C' ' 59' ' ' TYR . 85.5 mt -67.52 -48.06 78.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.949 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 56' ' ' GLN . . . . . 0.612 ' OE1' HD21 ' D' ' 125' ' ' LEU . 5.5 pt20 -53.23 -22.3 6.59 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.52 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 57' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -45.01 -32.4 1.65 Allowed 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 120.809 0.338 . . . . 0.0 110.968 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 58' ' ' PHE . . . . . 0.495 ' CD1' ' HB2' ' A' ' 65' ' ' ASP . 54.9 m-85 -155.67 23.74 0.39 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.349 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 59' ' ' TYR . . . . . 0.943 ' CD2' HD21 ' B' ' 128' ' ' LEU . 16.5 m-85 -134.34 74.23 1.53 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.383 179.687 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 60' ' ' GLU . . . . . 0.413 ' HB2' ' HB ' ' A' ' 62' ' ' THR . 1.2 mt-10 -60.78 98.48 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.847 0.356 . . . . 0.0 110.765 -179.79 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 61' ' ' VAL . . . . . 0.617 HG23 HG21 ' D' ' 124' ' ' THR . 0.0 OUTLIER -72.69 99.04 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.155 -179.859 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 62' ' ' THR . . . . . 0.416 ' HB ' ' HB2' ' A' ' 60' ' ' GLU . 6.6 m -86.26 117.45 25.08 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.385 179.701 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 63' ' ' LEU . . . . . 0.617 HD11 ' OH ' ' A' ' 59' ' ' TYR . 0.2 OUTLIER -92.12 135.06 34.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.206 -179.765 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 64' ' ' LEU . . . . . 0.76 ' N ' HD23 ' C' ' 64' ' ' LEU . 0.0 OUTLIER -114.39 -28.39 7.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.713 179.755 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 65' ' ' ASP . . . . . 0.479 ' HB3' ' CD1' ' A' ' 58' ' ' PHE . 32.9 t70 -157.92 -87.12 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.948 179.561 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 66' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 . . . . . 0 N--CA 1.462 0.164 0 CA-C-O 120.609 0.242 . . . . 0.0 111.164 179.789 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.437 0 N-CA-C 110.524 -1.03 . . . . 0.0 110.524 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 82' ' ' LEU . . . . . 0.561 ' O ' ' HB3' ' D' ' 85' ' ' ALA . 1.0 OUTLIER -69.73 -29.87 67.36 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 178.118 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' D' D ' 83' ' ' LEU . . . . . 0.991 HD23 ' H ' ' D' ' 84' ' ' ALA . 0.0 OUTLIER -44.69 -61.11 1.69 Allowed 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 114.922 -1.035 . . . . 0.0 111.255 -179.822 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' D' D ' 84' ' ' ALA . . . . . 0.991 ' H ' HD23 ' D' ' 83' ' ' LEU . . . -66.36 -26.91 67.5 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.126 -179.359 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 85' ' ' ALA . . . . . 0.925 ' HB1' ' HB3' ' D' ' 126' ' ' LEU . . . -53.03 -25.24 11.72 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.968 0.413 . . . . 0.0 110.406 179.514 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 86' ' ' GLU . . . . . 0.404 ' OE1' ' CG ' ' D' ' 123' ' ' HIS . 0.2 OUTLIER -127.04 -44.74 1.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.068 178.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' D' D ' 87' ' ' ARG . . . . . 0.78 ' HB3' ' O ' ' D' ' 83' ' ' LEU . 3.4 ttt180 -57.49 -47.38 82.08 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.063 179.096 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 88' ' ' ALA . . . . . 0.739 ' HB3' ' O ' ' D' ' 84' ' ' ALA . . . -57.55 -48.12 80.18 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.72 179.8 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 89' ' ' VAL . . . . . 0.816 HG13 ' CD1' ' D' ' 117' ' ' PHE . 50.0 t -61.46 -51.3 74.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.622 179.415 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 7.8 t -54.93 -26.3 35.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.229 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 91' ' ' GLN . . . . . 0.441 ' CB ' ' HB3' ' C' ' 36' ' ' SER . 48.4 mt-30 -72.32 -56.25 5.8 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-O 121.329 0.585 . . . . 0.0 110.048 179.6 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 92' ' ' VAL . . . . . 1.035 HG11 HD22 ' C' ' 18' ' ' LEU . 2.8 t -66.02 -28.21 43.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.494 179.481 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 93' ' ' LEU . . . . . 0.776 HD21 ' HA ' ' D' ' 114' ' ' HIS . 1.7 mt -73.9 -32.22 63.47 Favored 'General case' 0 C--O 1.23 0.066 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.354 179.672 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -86.12 -40.85 15.25 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.853 0.359 . . . . 0.0 111.044 -179.621 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 95' ' ' SER . . . . . 0.582 ' HB3' HD21 ' C' ' 33' ' ' LEU . 0.6 OUTLIER -79.21 -17.3 55.11 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.466 -179.834 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' D' D ' 96' ' ' LEU . . . . . 0.833 HD13 ' HB3' ' D' ' 110' ' ' LEU . 0.2 OUTLIER -40.23 -47.14 2.4 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.999 0.428 . . . . 0.0 111.941 -179.755 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -68.36 -34.03 75.34 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.234 -179.237 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 98' ' ' GLU . . . . . 0.819 ' O ' ' HB3' ' D' ' 101' ' ' ALA . 0.1 OUTLIER -69.18 -35.43 76.25 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 178.139 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' D' D ' 99' ' ' ILE . . . . . 0.485 ' HB ' ' O ' ' D' ' 96' ' ' LEU . 33.9 mt -59.18 -48.27 87.42 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.729 0 CA-C-N 114.462 -1.244 . . . . 0.0 109.81 178.451 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 100' ' ' HIS . . . . . 0.975 ' HB2' HD11 ' D' ' 110' ' ' LEU . 0.1 OUTLIER -58.39 -35.57 72.22 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 178.186 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' D' D ' 101' ' ' ALA . . . . . 0.819 ' HB3' ' O ' ' D' ' 98' ' ' GLU . . . -53.78 -44.06 69.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 114.619 -1.173 . . . . 0.0 111.865 179.361 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 102' ' ' LEU . . . . . 0.798 HD21 ' OE2' ' D' ' 98' ' ' GLU . 0.4 OUTLIER -118.09 32.08 6.34 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.619 -0.719 . . . . 0.0 112.692 -177.521 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' D' D ' 103' ' ' THR . . . . . 0.635 HG23 HD12 ' D' ' 102' ' ' LEU . 43.2 p -148.59 -36.98 0.18 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.73 0.3 . . . . 0.0 111.639 179.744 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 77.21 26.73 0.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.041 0.448 . . . . 0.0 110.338 -179.196 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 105' ' ' SER . . . . . . . . . . . . . 3.5 m -61.34 -16.61 47.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.235 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 106' ' ' SER . . . . . . . . . . . . . 1.3 t 77.56 124.94 0.04 OUTLIER 'General case' 0 N--CA 1.461 0.112 0 CA-C-O 120.954 0.407 . . . . 0.0 110.759 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 107' ' ' GLU . . . . . 0.805 ' HA ' HD12 ' D' ' 110' ' ' LEU . 3.6 pt-20 -52.34 -25.8 10.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.185 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.52 -55.18 38.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.083 0.468 . . . . 0.0 110.306 179.714 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 109' ' ' ASP . . . . . 0.509 ' O ' HD12 ' D' ' 113' ' ' LEU . 77.8 m-20 -63.17 -39.08 93.63 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.813 179.093 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 110' ' ' LEU . . . . . 0.975 HD11 ' HB2' ' D' ' 100' ' ' HIS . 31.3 mt -62.94 -36.92 85.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.285 179.393 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 111' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -63.81 -42.63 97.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.442 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 112' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -59.46 -46.65 88.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.392 179.63 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 113' ' ' LEU . . . . . 0.749 HD23 ' HB1' ' C' ' 14' ' ' ALA . 0.5 OUTLIER -69.92 -41.23 74.93 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.655 179.821 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' D' D ' 114' ' ' HIS . . . . . 0.776 ' HA ' HD21 ' D' ' 93' ' ' LEU . 2.3 t60 -56.98 -31.43 65.04 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 178.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 115' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.11 -38.71 51.66 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 177.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 116' ' ' VAL . . . . . 0.822 ' O ' HD22 ' D' ' 122' ' ' LEU . 3.3 t -59.24 -23.66 25.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 115.178 -0.919 . . . . 0.0 109.624 178.074 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 117' ' ' PHE . . . . . 0.816 ' CD1' HG13 ' D' ' 89' ' ' VAL . 27.2 m-85 -97.28 -48.92 5.15 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.26 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 118' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -49.05 -31.39 7.64 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.345 -179.377 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -46.69 119.06 2.27 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.311 -179.684 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 120' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.63 -37.91 89.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.865 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 121' ' ' HIS . . . . . 0.414 ' O ' ' HG ' ' D' ' 125' ' ' LEU . 13.9 m80 -59.06 -38.5 79.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.788 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 122' ' ' LEU . . . . . 0.822 HD22 ' O ' ' D' ' 116' ' ' VAL . 60.8 tp -56.52 -47.59 79.01 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.45 179.745 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 123' ' ' HIS . . . . . 0.944 ' HA ' HD12 ' D' ' 126' ' ' LEU . 50.1 m170 -53.94 -27.22 29.6 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.084 0.469 . . . . 0.0 110.043 178.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 124' ' ' THR . . . . . 0.617 HG21 HG23 ' C' ' 61' ' ' VAL . 1.2 m -74.89 -38.2 61.93 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.491 178.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 125' ' ' LEU . . . . . 0.759 HD13 HG12 ' C' ' 53' ' ' ILE . 1.7 mt -73.18 -29.6 62.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.315 178.38 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 126' ' ' LEU . . . . . 0.944 HD12 ' HA ' ' D' ' 123' ' ' HIS . 9.5 mt -71.27 -50.36 33.49 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.965 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 127' ' ' ASP . . . . . 0.429 ' O ' ' HB2' ' D' ' 131' ' ' LYS . 21.9 m-20 -67.88 -47.54 68.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.854 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 128' ' ' LEU . . . . . 0.834 HD21 ' CD2' ' A' ' 59' ' ' TYR . 64.4 mt -60.49 -35.24 75.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.638 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 129' ' ' TYR . . . . . 0.773 ' CE2' HG23 ' C' ' 43' ' ' ILE . 0.5 OUTLIER -64.01 -50.7 67.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.707 179.931 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' D' D ' 130' ' ' ASP . . . . . 0.841 ' OD2' ' HB2' ' D' ' 85' ' ' ALA . 23.6 m-20 -75.26 -25.7 58.24 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.502 -179.691 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 131' ' ' LYS . . . . . 0.429 ' HB2' ' O ' ' D' ' 127' ' ' ASP . 1.6 tttp -63.91 -52.13 61.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.733 0.301 . . . . 0.0 110.777 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 132' ' ' ILE . . . . . 0.655 HD12 ' O ' ' D' ' 128' ' ' LEU . 3.5 mt -71.91 -35.02 53.0 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 CA-C-O 121.017 0.437 . . . . 0.0 110.469 179.769 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 133' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -71.4 -26.91 62.97 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.877 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 134' ' ' THR . . . . . 0.579 HG22 ' O ' ' D' ' 134' ' ' THR . 91.3 m -112.36 7.87 19.37 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.412 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 135' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.56 -39.08 53.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.834 0.35 . . . . 0.0 110.761 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 136' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.917 179.851 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.466 ' O ' HG23 ' A' ' 11' ' ' THR . 13.0 ttm180 . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.6 tttm -64.1 -39.4 93.97 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-O 121.105 0.479 . . . . 0.0 109.814 179.093 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -77.28 -31.62 54.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.126 179.317 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -77.1 -29.76 55.02 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.13 179.489 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.466 HG23 ' O ' ' A' ' 7' ' ' ARG . 5.4 p -72.54 -47.56 47.35 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.365 179.7 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.54 ' HA ' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -65.22 -36.8 85.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.179 179.634 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.71 -24.45 59.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.053 179.053 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.803 ' CB ' HG11 ' B' ' 116' ' ' VAL . . . -77.8 -54.85 5.86 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.592 179.109 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.895 ' HA ' HD12 ' A' ' 18' ' ' LEU . 0.5 OUTLIER -59.63 -29.61 68.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.327 179.498 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -73.12 -44.29 60.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.11 0.481 . . . . 0.0 110.181 179.112 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.81 HD22 ' CE1' ' A' ' 21' ' ' TYR . 1.4 mt -59.6 -48.18 82.66 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.934 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.895 HD12 ' HA ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -62.46 -33.99 75.93 Favored 'General case' 0 CA--C 1.52 -0.199 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.026 179.614 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -57.4 -44.58 84.67 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.237 0.542 . . . . 0.0 110.126 179.456 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -73.04 -32.68 65.24 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.005 179.074 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.81 ' CE1' HD22 ' A' ' 17' ' ' LEU . 7.0 m-30 -65.77 -47.07 76.41 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.401 179.72 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.548 ' HB3' HD13 ' A' ' 37' ' ' ILE . 3.9 ptm180 -60.42 -41.81 94.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.386 179.514 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.446 ' N ' ' HG3' ' A' ' 22' ' ' ARG . 38.1 p -59.14 -35.69 73.94 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.264 179.304 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.2 ptmt -101.74 3.27 39.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.446 179.644 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.828 HD12 HD11 ' A' ' 37' ' ' ILE . 0.4 OUTLIER -91.5 -66.17 0.95 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.055 0.455 . . . . 0.0 111.107 -179.63 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.448 ' HB3' ' HB2' ' A' ' 34' ' ' ARG . 5.7 p -60.92 -159.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.008 -179.322 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.427 ' OE1' ' NH1' ' A' ' 31' ' ' ARG . 1.6 mp0 58.8 29.64 19.0 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.628 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.712 HG23 ' H ' ' A' ' 29' ' ' GLU . 4.2 t -151.48 -61.31 0.17 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.175 -179.739 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.712 ' H ' HG23 ' A' ' 28' ' ' THR . 26.8 pt-20 -174.43 27.87 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.233 -179.442 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.41 ' HB3' ' HB3' ' A' ' 33' ' ' LEU . 1.8 m-20 -143.05 53.61 1.37 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.583 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.427 ' NH1' ' OE1' ' A' ' 27' ' ' GLN . 11.9 mmm180 -66.41 -52.05 50.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.16 179.679 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -56.65 -47.92 78.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.634 178.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.709 HD21 ' HB3' ' B' ' 95' ' ' SER . 13.7 tp -54.77 -34.12 62.19 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.897 178.726 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.767 ' HA ' HD12 ' A' ' 37' ' ' ILE . 11.2 ttp180 -60.61 -43.28 97.63 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.322 178.86 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.77 -34.27 74.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.2 178.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.43 ' HB2' ' CB ' ' B' ' 91' ' ' GLN . 5.6 p -62.5 -51.66 66.57 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.533 179.513 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.88 HG23 ' HB3' ' A' ' 18' ' ' LEU . 5.1 mt -55.19 -45.79 77.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.096 179.098 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.79 -43.01 72.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.983 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.482 ' HB2' ' HB1' ' B' ' 88' ' ' ALA . 6.4 mtt180 -55.74 -51.34 67.67 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-O 121.207 0.527 . . . . 0.0 110.104 179.419 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.77 HG11 ' CZ ' ' B' ' 117' ' ' PHE . 11.5 t -60.47 -32.0 50.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.436 179.723 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.834 HD11 ' HB2' ' A' ' 18' ' ' LEU . 6.7 mm -70.35 -55.8 13.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.795 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 38.5 t -61.81 -49.24 77.09 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.042 0.448 . . . . 0.0 110.949 -179.006 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.471 HG23 ' CE2' ' B' ' 129' ' ' TYR . 10.2 mt -59.04 -33.49 50.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.191 179.729 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.775 ' HB3' HD22 ' A' ' 15' ' ' LEU . 2.0 m-85 -72.47 -56.16 5.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 112.085 179.685 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.491 ' HG2' ' O ' ' A' ' 41' ' ' ILE . 21.1 pt20 -81.09 5.22 17.32 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -178.463 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.7 m -53.99 177.52 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.401 0 CA-C-O 120.748 0.309 . . . . 0.0 110.183 179.606 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -89.19 -51.41 5.6 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.588 -179.552 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.869 ' O ' HD12 ' A' ' 48' ' ' LEU . 1.8 tp -68.38 -38.49 81.41 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.103 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.403 ' HZ ' HD11 ' B' ' 122' ' ' LEU . 59.8 t80 -51.11 -55.92 15.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.7 0.286 . . . . 0.0 111.014 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -59.16 -34.28 71.9 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.007 0.432 . . . . 0.0 109.995 179.179 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.605 ' HB2' ' HG2' ' D' ' 135' ' ' LYS . . . -58.93 -45.01 91.41 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.211 179.198 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.508 HD21 ' HB3' ' B' ' 128' ' ' LEU . 1.8 mt -60.74 -44.79 96.22 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.082 179.103 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.602 HG12 HD13 ' B' ' 125' ' ' LEU . 9.8 mt -54.22 -35.96 31.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.248 179.314 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -73.3 -33.97 65.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.307 179.153 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.657 HG22 ' HB2' ' A' ' 59' ' ' TYR . 60.3 mt -66.54 -51.25 59.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.716 179.756 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -51.11 -25.15 4.71 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.344 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -48.24 -32.17 6.84 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.867 0.365 . . . . 0.0 110.907 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.441 ' CE1' ' HB2' ' C' ' 65' ' ' ASP . 8.6 m-85 -148.77 21.85 1.01 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.121 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.657 ' HB2' HG22 ' A' ' 55' ' ' ILE . 55.5 m-85 -136.21 74.37 1.5 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.567 179.763 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.403 ' HB2' ' HB ' ' C' ' 62' ' ' THR . 3.1 mm-40 -61.22 94.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.744 0.307 . . . . 0.0 111.045 -179.73 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.536 HG23 HG21 ' B' ' 124' ' ' THR . 0.0 OUTLIER -72.87 104.14 1.96 Allowed 'Isoleucine or valine' 0 CA--C 1.522 -0.129 0 CA-C-O 120.871 0.367 . . . . 0.0 110.796 179.654 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.423 ' O ' HD23 ' A' ' 64' ' ' LEU . 12.2 m -85.76 109.62 18.77 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.743 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.421 HD11 ' CZ ' ' C' ' 59' ' ' TYR . 0.2 OUTLIER -84.29 130.01 34.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.568 179.716 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.713 HD23 ' N ' ' A' ' 64' ' ' LEU . 0.1 OUTLIER -116.04 -25.44 7.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.346 -179.642 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.408 ' HB2' ' CB ' ' C' ' 58' ' ' PHE . 1.2 t0 -63.33 -18.5 63.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.062 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 . . . . . 0 C--N 1.331 -0.222 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.362 -179.878 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.466 0 N-CA-C 109.655 -1.378 . . . . 0.0 109.655 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.523 HD11 ' HG2' ' B' ' 131' ' ' LYS . 8.8 tt -86.17 -25.27 25.78 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.29 -0.955 . . . . 0.0 110.152 178.663 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 83' ' ' LEU . . . . . 0.881 HD23 ' H ' ' B' ' 84' ' ' ALA . 0.8 OUTLIER -70.79 -34.71 72.05 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.976 -179.703 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.995 ' HB1' ' HB2' ' B' ' 88' ' ' ALA . . . -95.1 -16.75 22.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.547 -0.751 . . . . 0.0 112.652 -178.061 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 85' ' ' ALA . . . . . 0.903 ' HB1' ' HB3' ' B' ' 126' ' ' LEU . . . -51.96 -24.27 6.23 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.409 -0.516 . . . . 0.0 110.451 -179.76 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -123.03 -37.73 2.69 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.661 -0.699 . . . . 0.0 109.461 178.633 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 87' ' ' ARG . . . . . 0.67 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 31.7 ttt85 -65.71 -53.13 45.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.407 179.183 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 88' ' ' ALA . . . . . 0.995 ' HB2' ' HB1' ' B' ' 84' ' ' ALA . . . -60.38 -33.25 72.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.524 179.601 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 89' ' ' VAL . . . . . 0.473 ' CG1' ' HB3' ' B' ' 117' ' ' PHE . 38.7 t -66.81 -40.03 84.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.984 179.085 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 48.2 t -75.72 -21.79 57.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.624 179.242 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 91' ' ' GLN . . . . . 0.446 ' NE2' ' HA ' ' B' ' 88' ' ' ALA . 62.8 mt-30 -68.28 -56.9 6.99 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-O 121.266 0.555 . . . . 0.0 109.666 179.522 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 92' ' ' VAL . . . . . 0.839 HG11 HD22 ' A' ' 18' ' ' LEU . 4.2 t -67.84 -28.02 39.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.308 179.393 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 93' ' ' LEU . . . . . 0.634 HD11 ' HB2' ' B' ' 117' ' ' PHE . 0.7 OUTLIER -70.44 -30.07 66.82 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.422 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -87.97 -39.69 14.51 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.867 0.365 . . . . 0.0 111.362 -179.646 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 95' ' ' SER . . . . . 0.709 ' HB3' HD21 ' A' ' 33' ' ' LEU . 1.1 m -79.79 -16.27 55.86 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.892 -179.421 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 96' ' ' LEU . . . . . 0.85 HD13 ' HB3' ' B' ' 110' ' ' LEU . 0.1 OUTLIER -37.85 -51.71 1.3 Allowed 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 -179.25 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -69.08 -31.54 70.36 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.178 -179.008 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 98' ' ' GLU . . . . . 0.823 ' O ' ' HB3' ' B' ' 101' ' ' ALA . 0.0 OUTLIER -69.29 -34.53 74.86 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 178.023 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 99' ' ' ILE . . . . . 0.521 HG12 ' CD1' ' A' ' 25' ' ' LEU . 27.2 mt -60.3 -49.07 85.67 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 CA-C-N 114.476 -1.238 . . . . 0.0 109.9 178.484 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 100' ' ' HIS . . . . . 0.825 ' HB2' HD11 ' B' ' 110' ' ' LEU . 1.4 t60 -55.37 -39.14 69.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 122.007 0.908 . . . . 0.0 108.551 178.188 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 101' ' ' ALA . . . . . 0.823 ' HB3' ' O ' ' B' ' 98' ' ' GLU . . . -51.39 -46.11 62.72 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 113.879 -1.51 . . . . 0.0 112.075 179.573 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 102' ' ' LEU . . . . . 0.655 HD12 HG23 ' B' ' 103' ' ' THR . 0.4 OUTLIER -116.99 31.87 6.5 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.781 -177.479 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 103' ' ' THR . . . . . 0.655 HG23 HD12 ' B' ' 102' ' ' LEU . 33.2 p -149.51 -31.97 0.22 Allowed 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.967 -0.293 . . . . 0.0 111.656 179.471 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 1.1 t70 68.17 27.9 6.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.006 0.431 . . . . 0.0 110.302 -179.363 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.33 -81.98 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.877 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 164.94 108.09 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.153 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 107' ' ' GLU . . . . . 0.769 ' HA ' HD12 ' B' ' 110' ' ' LEU . 9.1 pt-20 -48.78 -36.22 16.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.825 0.345 . . . . 0.0 110.745 -179.798 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 1.6 mmmt -63.21 -46.95 84.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.822 179.068 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 109' ' ' ASP . . . . . 0.727 ' O ' HD12 ' B' ' 113' ' ' LEU . 16.6 m-20 -66.46 -34.9 78.98 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.926 178.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 110' ' ' LEU . . . . . 0.85 ' HB3' HD13 ' B' ' 96' ' ' LEU . 65.3 mt -64.66 -43.15 94.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.908 179.251 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -60.63 -41.57 95.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.504 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 112' ' ' PHE . . . . . 0.639 ' O ' HG23 ' B' ' 116' ' ' VAL . 2.7 t80 -59.03 -47.41 85.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.289 179.576 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 113' ' ' LEU . . . . . 0.77 HD11 ' CD1' ' A' ' 17' ' ' LEU . 0.7 OUTLIER -70.07 -33.2 71.61 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.086 179.597 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 114' ' ' HIS . . . . . 0.634 ' O ' ' HG2' ' B' ' 118' ' ' GLN . 1.0 OUTLIER -56.35 -41.39 76.05 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 178.539 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 115' ' ' SER . . . . . 0.547 ' HA ' ' HG2' ' B' ' 118' ' ' GLN . 27.9 t -76.23 -34.77 59.22 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.946 178.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 116' ' ' VAL . . . . . 0.809 ' O ' HD22 ' B' ' 122' ' ' LEU . 41.4 t -56.3 -26.1 21.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.524 178.561 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 117' ' ' PHE . . . . . 0.77 ' CZ ' HG11 ' A' ' 40' ' ' VAL . 8.2 m-30 -103.08 -19.32 14.59 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.83 179.402 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 118' ' ' GLN . . . . . 0.634 ' HG2' ' O ' ' B' ' 114' ' ' HIS . 11.1 mm100 -62.18 -42.88 99.7 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.064 0.459 . . . . 0.0 110.705 179.335 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -42.4 120.88 1.77 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.873 -179.085 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 5.1 tm0? -67.4 -36.7 81.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.287 179.566 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 49.4 m-70 -59.36 -34.86 72.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.385 179.438 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 122' ' ' LEU . . . . . 0.809 HD22 ' O ' ' B' ' 116' ' ' VAL . 56.2 tp -56.32 -43.87 79.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.027 179.572 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 123' ' ' HIS . . . . . 0.951 ' HA ' HD12 ' B' ' 126' ' ' LEU . 10.9 m170 -58.38 -27.11 63.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.738 178.788 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 124' ' ' THR . . . . . 0.536 HG21 HG23 ' A' ' 61' ' ' VAL . 1.3 m -72.89 -36.23 67.3 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 178.808 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 125' ' ' LEU . . . . . 0.806 HD12 HD12 ' B' ' 122' ' ' LEU . 4.0 mt -73.0 -33.51 65.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.414 178.477 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 126' ' ' LEU . . . . . 0.951 HD12 ' HA ' ' B' ' 123' ' ' HIS . 4.9 mt -72.91 -50.08 25.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.97 179.797 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.89 -51.51 64.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.083 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 128' ' ' LEU . . . . . 0.92 HD21 ' CD2' ' C' ' 59' ' ' TYR . 70.8 mt -60.83 -36.82 80.07 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.908 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 129' ' ' TYR . . . . . 0.604 ' O ' HD23 ' A' ' 48' ' ' LEU . 1.5 t80 -58.94 -52.72 64.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.048 -179.264 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 130' ' ' ASP . . . . . 0.8 ' OD2' ' HB2' ' B' ' 85' ' ' ALA . 16.6 m-20 -77.06 -30.03 55.41 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.228 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 131' ' ' LYS . . . . . 0.523 ' HG2' HD11 ' B' ' 82' ' ' LEU . 2.9 mmtt -56.04 -50.55 70.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.679 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 132' ' ' ILE . . . . . 0.617 HD12 ' O ' ' B' ' 128' ' ' LEU . 2.9 mt -75.87 -39.02 37.5 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.606 179.644 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 133' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -65.2 -30.04 70.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.151 -179.615 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 85.6 m -96.78 -58.7 1.97 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.913 -179.218 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 2.1 mmtt -56.5 -60.57 3.34 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.012 -179.528 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.622 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 7' ' ' ARG . . . . . 0.847 ' O ' HG23 ' C' ' 11' ' ' THR . 1.1 ttm-85 . . . . . 0 N--CA 1.45 -0.438 0 CA-C-O 120.354 0.121 . . . . 0.0 110.692 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 8' ' ' LYS . . . . . 0.673 ' CB ' HG21 ' C' ' 53' ' ' ILE . 0.0 OUTLIER -73.6 -21.65 60.26 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 178.441 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -75.0 -43.09 55.85 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.672 178.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 10' ' ' ASP . . . . . 0.692 ' HB2' HG22 ' D' ' 116' ' ' VAL . 8.3 p30 -72.83 -28.35 62.49 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.028 179.34 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 11' ' ' THR . . . . . 0.847 HG23 ' O ' ' C' ' 7' ' ' ARG . 42.7 p -68.24 -44.6 75.33 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.661 179.745 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -66.7 -44.94 80.34 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 120.902 0.382 . . . . 0.0 110.603 179.637 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 13' ' ' ARG . . . . . 0.407 ' HB3' ' CZ ' ' D' ' 112' ' ' PHE . 7.8 ttm-85 -66.21 -25.25 66.83 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.153 179.297 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 14' ' ' ALA . . . . . 0.937 ' CB ' HG11 ' D' ' 116' ' ' VAL . . . -78.73 -55.3 5.28 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 178.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 15' ' ' LEU . . . . . 0.867 ' HA ' HD12 ' C' ' 18' ' ' LEU . 0.3 OUTLIER -62.53 -28.38 69.81 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.606 179.374 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 16' ' ' HIS . . . . . . . . . . . . . 19.5 t-80 -72.96 -45.58 57.18 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 178.786 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 17' ' ' LEU . . . . . 0.936 HD22 ' CE1' ' C' ' 21' ' ' TYR . 1.8 mt -62.2 -36.98 83.58 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.395 178.703 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 18' ' ' LEU . . . . . 0.934 ' CD2' HG11 ' D' ' 92' ' ' VAL . 43.5 mt -60.45 -50.72 72.46 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.069 -0.969 . . . . 0.0 110.853 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 19' ' ' GLU . . . . . 0.454 ' O ' ' HG3' ' C' ' 22' ' ' ARG . 1.9 tt0 -58.78 -35.07 72.21 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.121 0.486 . . . . 0.0 110.787 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 20' ' ' GLU . . . . . 0.508 ' O ' ' HG3' ' C' ' 24' ' ' LYS . 5.3 mm-40 -75.35 -38.25 60.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.325 179.544 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 21' ' ' TYR . . . . . 0.936 ' CE1' HD22 ' C' ' 17' ' ' LEU . 14.7 m-30 -67.3 -48.91 66.23 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.678 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 22' ' ' ARG . . . . . 0.454 ' HG3' ' O ' ' C' ' 19' ' ' GLU . 0.0 OUTLIER -57.58 -43.38 84.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.881 0.372 . . . . 0.0 110.36 179.348 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 16.0 p -59.49 -35.37 73.99 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.761 179.49 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 24' ' ' LYS . . . . . 0.508 ' HG3' ' O ' ' C' ' 20' ' ' GLU . 0.0 OUTLIER -109.34 15.72 22.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.471 -179.933 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 25' ' ' LEU . . . . . 0.811 HD12 HD11 ' C' ' 37' ' ' ILE . 0.0 OUTLIER -105.28 -64.5 1.13 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.12 0.486 . . . . 0.0 110.101 179.585 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 26' ' ' SER . . . . . 0.465 ' OG ' ' CG ' ' C' ' 34' ' ' ARG . 0.9 OUTLIER -59.6 -158.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.06 -179.572 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 27' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 60.39 28.95 18.61 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 120.952 0.406 . . . . 0.0 110.419 -179.696 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 28' ' ' THR . . . . . 0.686 HG23 ' H ' ' C' ' 29' ' ' GLU . 3.5 t -150.01 -59.29 0.2 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.717 -179.595 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 29' ' ' GLU . . . . . 0.686 ' H ' HG23 ' C' ' 28' ' ' THR . 17.3 pt-20 -175.31 28.12 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.267 -0.878 . . . . 0.0 111.252 -179.492 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -140.72 43.55 1.84 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.057 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.79 -55.11 38.39 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.436 0.636 . . . . 0.0 110.503 179.796 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -52.74 -42.57 65.05 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.636 178.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 33' ' ' LEU . . . . . 0.536 ' CD2' HD11 ' C' ' 25' ' ' LEU . 5.1 tp -57.06 -35.44 69.36 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.977 178.801 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 34' ' ' ARG . . . . . 0.465 ' CG ' ' OG ' ' C' ' 26' ' ' SER . 1.4 ttt180 -60.34 -45.16 94.43 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.511 178.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 15.0 m -59.12 -35.06 72.8 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.239 179.15 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 36' ' ' SER . . . . . 0.517 ' O ' ' HG2' ' C' ' 39' ' ' ARG . 0.1 OUTLIER -70.06 -48.68 56.82 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.059 0.457 . . . . 0.0 110.306 179.507 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 37' ' ' ILE . . . . . 0.811 HD11 HD12 ' C' ' 25' ' ' LEU . 69.0 mt -60.33 -38.35 77.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.856 178.859 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 38' ' ' GLU . . . . . 0.406 ' HA ' HG12 ' C' ' 41' ' ' ILE . 1.4 mt-10 -64.7 -51.08 64.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.154 -0.93 . . . . 0.0 112.115 -179.635 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 39' ' ' ARG . . . . . 0.73 ' HG3' ' HB1' ' D' ' 88' ' ' ALA . 4.3 ptp180 -55.17 -40.26 70.49 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.19 -179.53 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 40' ' ' VAL . . . . . 0.456 ' CG1' ' CD1' ' C' ' 44' ' ' PHE . 92.4 t -62.21 -40.25 86.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 178.28 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 41' ' ' ILE . . . . . 0.652 HG12 ' O ' ' C' ' 37' ' ' ILE . 11.6 mm -55.38 -57.28 7.95 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.178 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.36 179.438 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 13.8 t -59.96 -47.4 85.96 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.917 0.389 . . . . 0.0 110.713 -179.336 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 43' ' ' ILE . . . . . 0.459 ' O ' ' CG ' ' C' ' 49' ' ' PHE . 18.0 mt -60.34 -34.39 57.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.155 179.306 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 44' ' ' PHE . . . . . 0.722 ' HB3' HD22 ' C' ' 15' ' ' LEU . 1.6 m-85 -71.99 -57.19 4.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.511 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 45' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -80.48 1.61 28.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.576 -179.35 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 46' ' ' SER . . . . . 0.473 ' HG ' ' HH ' ' D' ' 129' ' ' TYR . 0.5 OUTLIER -48.2 148.44 1.83 Allowed 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 121.042 0.449 . . . . 0.0 111.231 -179.696 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -64.07 -40.35 96.06 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.012 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 48' ' ' LEU . . . . . 0.857 ' O ' HD12 ' C' ' 48' ' ' LEU . 1.0 OUTLIER -79.49 -44.57 21.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.104 -179.859 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 49' ' ' PHE . . . . . 0.63 ' HE1' HD11 ' C' ' 53' ' ' ILE . 19.2 t80 -51.21 -53.52 34.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.16 -179.602 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -60.42 -40.33 90.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.455 179.69 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.7 -39.41 84.5 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.314 -0.403 . . . . 0.0 109.992 179.106 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 52' ' ' LEU . . . . . 0.558 HD13 ' O ' ' D' ' 125' ' ' LEU . 1.7 mt -61.15 -43.57 98.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.749 178.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 53' ' ' ILE . . . . . 0.731 HG12 HD13 ' D' ' 125' ' ' LEU . 46.8 mt -54.69 -46.77 73.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.367 179.117 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -59.0 -39.57 82.25 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.566 179.62 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 55' ' ' ILE . . . . . 0.715 HG22 ' HB2' ' C' ' 59' ' ' TYR . 64.2 mt -58.14 -43.06 84.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.842 179.724 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.61 -22.9 5.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.818 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 57' ' ' GLU . . . . . 0.4 ' O ' ' CG ' ' C' ' 58' ' ' PHE . 11.7 pt-20 -47.87 -30.96 4.53 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.724 0.297 . . . . 0.0 111.549 -179.686 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 58' ' ' PHE . . . . . 0.408 ' CB ' ' HB2' ' A' ' 65' ' ' ASP . 46.0 m-85 -158.13 26.66 0.26 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.704 -179.64 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 59' ' ' TYR . . . . . 0.92 ' CD2' HD21 ' B' ' 128' ' ' LEU . 49.4 m-85 -132.1 71.66 1.48 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.851 0.358 . . . . 0.0 110.802 179.695 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 60' ' ' GLU . . . . . 0.42 ' HB2' ' HB ' ' A' ' 62' ' ' THR . 2.2 mm-40 -58.14 95.18 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.753 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 61' ' ' VAL . . . . . 0.456 ' CG2' HG21 ' D' ' 124' ' ' THR . 0.0 OUTLIER -72.39 97.28 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.965 0.412 . . . . 0.0 110.645 179.906 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 62' ' ' THR . . . . . 0.403 ' HB ' ' HB2' ' A' ' 60' ' ' GLU . 1.3 m -85.6 110.94 19.61 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.085 -179.624 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 63' ' ' LEU . . . . . 0.614 HD12 ' CE1' ' A' ' 59' ' ' TYR . 0.3 OUTLIER -81.55 137.74 35.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.006 179.247 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 64' ' ' LEU . . . . . 0.635 ' N ' HD23 ' C' ' 64' ' ' LEU . 0.1 OUTLIER -123.21 -41.61 2.3 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 -179.023 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 65' ' ' ASP . . . . . 0.441 ' HB2' ' CE1' ' A' ' 58' ' ' PHE . 0.1 OUTLIER -156.08 15.21 0.34 Allowed 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 -179.111 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 66' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 CA-C-O 120.851 0.357 . . . . 0.0 110.437 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.539 0 N-CA-C 109.622 -1.391 . . . . 0.0 109.622 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 82' ' ' LEU . . . . . 0.456 ' O ' HD23 ' D' ' 82' ' ' LEU . 8.5 tt -87.29 -26.68 23.32 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 114.255 -0.973 . . . . 0.0 110.049 178.624 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 83' ' ' LEU . . . . . 0.924 HD23 ' H ' ' D' ' 84' ' ' ALA . 0.8 OUTLIER -66.03 -38.01 87.34 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.341 179.741 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' D' D ' 84' ' ' ALA . . . . . 1.107 ' HB1' ' HB2' ' D' ' 88' ' ' ALA . . . -81.11 -16.87 51.84 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.633 -179.072 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 85' ' ' ALA . . . . . 0.82 ' HB1' ' CB ' ' D' ' 126' ' ' LEU . . . -52.14 -23.14 4.98 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.219 -0.592 . . . . 0.0 109.658 179.057 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 86' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -127.78 -37.51 1.94 Allowed 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.81 178.611 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 87' ' ' ARG . . . . . 0.628 ' HB3' ' O ' ' D' ' 83' ' ' LEU . 35.9 ttt85 -69.51 -35.8 75.84 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.793 179.721 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 88' ' ' ALA . . . . . 1.107 ' HB2' ' HB1' ' D' ' 84' ' ' ALA . . . -75.44 -42.75 52.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.918 -179.629 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 89' ' ' VAL . . . . . 0.74 HG13 ' CD1' ' D' ' 117' ' ' PHE . 42.9 t -70.98 -36.49 63.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.16 179.342 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 90' ' ' SER . . . . . 0.443 ' HA ' ' HB2' ' D' ' 93' ' ' LEU . 86.4 p -75.2 -27.42 59.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.475 179.131 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 91' ' ' GLN . . . . . 0.405 ' HB3' ' HB3' ' C' ' 36' ' ' SER . 5.9 mt-30 -65.46 -57.3 8.62 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.683 179.49 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 92' ' ' VAL . . . . . 0.934 HG11 ' CD2' ' C' ' 18' ' ' LEU . 11.7 t -66.03 -27.98 42.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.884 179.029 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 93' ' ' LEU . . . . . 0.706 HD21 ' HA ' ' D' ' 114' ' ' HIS . 3.1 mt -65.39 -32.9 74.77 Favored 'General case' 0 N--CA 1.458 -0.047 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.056 179.665 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.05 -38.0 18.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.764 0.316 . . . . 0.0 111.263 -179.533 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 95' ' ' SER . . . . . 0.473 ' HB2' HD11 ' C' ' 33' ' ' LEU . 0.3 OUTLIER -80.13 -22.42 42.12 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.244 -0.435 . . . . 0.0 112.169 -179.275 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' D' D ' 96' ' ' LEU . . . . . 0.92 HD22 HD22 ' D' ' 110' ' ' LEU . 0.2 OUTLIER -38.32 -52.28 1.52 Allowed 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -179.16 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -67.62 -30.5 70.09 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.204 -179.288 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 98' ' ' GLU . . . . . 0.807 ' O ' ' HB3' ' D' ' 101' ' ' ALA . 0.1 OUTLIER -69.83 -34.59 73.86 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 177.958 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' D' D ' 99' ' ' ILE . . . . . 0.61 HG23 HG21 ' D' ' 103' ' ' THR . 37.7 mt -61.51 -49.35 84.78 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.785 0 CA-C-N 114.595 -1.184 . . . . 0.0 109.646 178.452 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 100' ' ' HIS . . . . . 0.794 ' HB2' HD11 ' D' ' 110' ' ' LEU . 0.2 OUTLIER -55.98 -34.84 66.11 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 178.105 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' D' D ' 101' ' ' ALA . . . . . 0.807 ' HB3' ' O ' ' D' ' 98' ' ' GLU . . . -55.37 -45.82 76.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.413 -1.267 . . . . 0.0 111.927 179.405 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 102' ' ' LEU . . . . . 0.804 HD21 ' OE2' ' D' ' 98' ' ' GLU . 0.4 OUTLIER -117.18 28.52 8.45 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.577 -0.738 . . . . 0.0 112.757 -177.452 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' D' D ' 103' ' ' THR . . . . . 0.656 HG23 HD12 ' D' ' 102' ' ' LEU . 45.0 p -141.49 -35.89 0.45 Allowed 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 121.018 -0.273 . . . . 0.0 111.262 179.646 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 3.6 t0 74.87 27.53 1.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.003 0.43 . . . . 0.0 110.356 -179.434 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 105' ' ' SER . . . . . 0.436 ' HB3' ' CZ ' ' C' ' 21' ' ' TYR . 13.8 m -65.86 -10.18 35.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.281 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 106' ' ' SER . . . . . 0.42 ' CB ' ' O ' ' D' ' 105' ' ' SER . 3.9 t 81.63 121.7 0.05 OUTLIER 'General case' 0 C--O 1.233 0.196 0 CA-C-O 121.049 0.452 . . . . 0.0 110.996 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -54.03 -23.85 15.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.868 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.5 -54.23 48.01 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.055 0.455 . . . . 0.0 109.878 179.382 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 109' ' ' ASP . . . . . 0.533 ' O ' HD12 ' D' ' 113' ' ' LEU . 8.6 m-20 -59.85 -40.37 88.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.65 178.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 110' ' ' LEU . . . . . 0.92 HD22 HD22 ' D' ' 96' ' ' LEU . 26.5 mt -59.66 -48.04 83.25 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.008 178.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 111' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -51.51 -44.72 62.66 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.788 179.724 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 112' ' ' PHE . . . . . 0.664 ' O ' HG23 ' D' ' 116' ' ' VAL . 4.7 t80 -60.51 -42.71 96.96 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.762 179.811 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 113' ' ' LEU . . . . . 0.697 HD11 ' CD1' ' C' ' 17' ' ' LEU . 0.4 OUTLIER -71.93 -37.9 69.95 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.401 -179.517 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' D' D ' 114' ' ' HIS . . . . . 0.706 ' HA ' HD21 ' D' ' 93' ' ' LEU . 52.8 m80 -58.28 -34.38 70.47 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 178.302 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 115' ' ' SER . . . . . . . . . . . . . 22.5 t -74.75 -37.15 62.56 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 178.366 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 116' ' ' VAL . . . . . 0.937 HG11 ' CB ' ' C' ' 14' ' ' ALA . 43.0 t -61.87 -26.45 39.94 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 CA-C-N 115.261 -0.881 . . . . 0.0 109.873 178.451 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 117' ' ' PHE . . . . . 0.74 ' CD1' HG13 ' D' ' 89' ' ' VAL . 33.3 m-85 -99.14 -30.45 12.29 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.996 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 118' ' ' GLN . . . . . 0.543 HE22 ' HB3' ' D' ' 114' ' ' HIS . 0.0 OUTLIER -65.1 -28.79 69.69 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.377 -179.486 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -43.09 128.89 4.56 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.961 0.41 . . . . 0.0 111.64 -179.42 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 120' ' ' GLN . . . . . . . . . . . . . 9.1 tp60 -69.91 -49.02 56.15 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.699 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 121' ' ' HIS . . . . . . . . . . . . . 54.2 m80 -55.87 -34.1 65.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.432 179.538 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 122' ' ' LEU . . . . . 0.855 HD22 ' O ' ' D' ' 116' ' ' VAL . 52.6 tp -55.98 -49.28 74.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.139 179.56 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 123' ' ' HIS . . . . . 0.792 ' HA ' HD12 ' D' ' 126' ' ' LEU . 11.0 m-70 -53.01 -26.94 17.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.227 179.096 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 124' ' ' THR . . . . . 0.712 HG22 HD11 ' D' ' 128' ' ' LEU . 6.5 m -75.98 -33.83 59.76 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.881 179.239 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 125' ' ' LEU . . . . . 0.776 HD12 HD12 ' D' ' 122' ' ' LEU . 16.2 mt -65.37 -44.71 86.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.275 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 126' ' ' LEU . . . . . 0.82 ' CB ' ' HB1' ' D' ' 85' ' ' ALA . 0.2 OUTLIER -71.59 -39.48 70.51 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.694 0.283 . . . . 0.0 110.961 -179.737 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' D' D ' 127' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -59.84 -53.12 61.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.082 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 128' ' ' LEU . . . . . 0.712 HD11 HG22 ' D' ' 124' ' ' THR . 4.7 mt -70.81 -33.15 70.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.835 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 129' ' ' TYR . . . . . 0.473 ' HH ' ' HG ' ' C' ' 46' ' ' SER . 2.2 t80 -55.99 -51.83 66.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.045 0.45 . . . . 0.0 110.688 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 130' ' ' ASP . . . . . 0.66 ' OD2' ' HB2' ' D' ' 85' ' ' ALA . 39.9 m-20 -76.86 -29.88 56.05 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.149 179.571 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 131' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.41 -48.61 81.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.909 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 132' ' ' ILE . . . . . 0.596 HD12 ' O ' ' D' ' 128' ' ' LEU . 2.9 mt -74.98 -39.5 44.55 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 CA-C-O 121.024 0.44 . . . . 0.0 110.616 179.709 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 133' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -68.5 -26.61 65.55 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.957 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 134' ' ' THR . . . . . 0.628 HG22 ' O ' ' D' ' 134' ' ' THR . 62.0 m -109.99 40.58 1.89 Allowed 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 121.118 0.485 . . . . 0.0 110.95 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 135' ' ' LYS . . . . . 0.605 ' HG2' ' HB2' ' A' ' 51' ' ' ALA . 1.5 tptt -120.53 -40.66 2.65 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.764 -179.747 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 136' ' ' SER . . . . . . . . . . . . . 90.5 p . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.12 -179.93 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.408 0 CA-C-O 120.631 0.253 . . . . 0.0 110.322 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.6 tttm -63.73 -39.17 93.63 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 179.059 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -74.49 -28.94 61.23 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.926 178.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.632 ' HB3' HG22 ' B' ' 116' ' ' VAL . 96.0 m-20 -79.79 -30.05 40.51 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.473 179.591 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.696 HG22 ' CE1' ' A' ' 44' ' ' PHE . 1.5 p -73.03 -40.4 65.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.52 179.59 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.53 ' HA ' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -71.06 -43.14 68.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.246 179.517 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.5 tpm_? -71.2 -24.01 62.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.99 179.121 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.791 ' CB ' HG11 ' B' ' 116' ' ' VAL . . . -78.62 -53.65 6.95 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.64 179.049 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.847 ' O ' HD12 ' A' ' 41' ' ' ILE . 0.4 OUTLIER -63.24 -28.73 70.23 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.858 179.637 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -73.87 -44.26 55.99 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-O 121.067 0.461 . . . . 0.0 110.087 179.151 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.908 HD22 ' CE1' ' A' ' 21' ' ' TYR . 1.4 mt -61.5 -49.44 76.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.69 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 1.032 HD22 HG11 ' B' ' 92' ' ' VAL . 1.2 mt -61.94 -35.7 79.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.454 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.501 ' HG3' HG21 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -58.02 -43.75 86.91 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.248 0.547 . . . . 0.0 110.063 179.197 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.42 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 5.3 mt-10 -73.37 -33.22 64.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.847 179.065 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.908 ' CE1' HD22 ' A' ' 17' ' ' LEU . 6.8 m-30 -64.29 -48.29 76.26 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.389 179.698 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.535 ' HB3' HD13 ' A' ' 37' ' ' ILE . 3.8 ptm180 -59.3 -44.03 92.57 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.779 0.323 . . . . 0.0 110.403 179.533 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.429 ' N ' ' HG3' ' A' ' 22' ' ' ARG . 26.8 m -57.91 -32.86 68.15 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.362 179.279 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.42 ' HG3' ' O ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -111.59 13.89 21.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.177 179.721 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.797 ' CD1' HD11 ' A' ' 37' ' ' ILE . 0.2 OUTLIER -100.18 -64.1 1.07 Allowed 'General case' 0 CA--C 1.52 -0.201 0 CA-C-O 121.082 0.468 . . . . 0.0 110.367 179.699 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.424 ' HB2' ' HB2' ' A' ' 34' ' ' ARG . 35.6 t -64.91 -148.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.387 -179.742 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.41 ' OE1' ' NH1' ' A' ' 31' ' ' ARG . 1.0 OUTLIER 54.79 24.88 6.04 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 121.159 0.504 . . . . 0.0 110.399 -179.548 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.606 HG23 ' N ' ' A' ' 29' ' ' GLU . 6.2 t -149.01 -55.36 0.19 Allowed 'General case' 0 CA--C 1.516 -0.329 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.516 -179.218 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.606 ' N ' HG23 ' A' ' 28' ' ' THR . 16.6 pt-20 -176.59 28.03 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.398 -179.484 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.484 ' HB3' ' HB3' ' A' ' 33' ' ' LEU . 0.1 OUTLIER -138.73 53.69 1.77 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.901 0.381 . . . . 0.0 110.713 -179.778 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.41 ' NH1' ' OE1' ' A' ' 27' ' ' GLN . 15.9 mmm180 -66.31 -53.39 37.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.15 0.5 . . . . 0.0 110.03 179.694 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 20.5 tp60 -59.98 -47.42 85.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.518 178.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.693 HD21 ' HB3' ' B' ' 95' ' ' SER . 13.7 tp -55.27 -33.58 63.33 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.121 178.803 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.693 ' HA ' HD12 ' A' ' 37' ' ' ILE . 6.4 ttp180 -60.38 -48.96 79.49 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.285 179.033 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.4 m -57.96 -31.56 66.99 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.256 178.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.456 ' HB2' ' HB3' ' B' ' 91' ' ' GLN . 1.1 p -65.89 -51.52 57.99 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.093 0.473 . . . . 0.0 110.547 179.536 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.84 HG23 ' HB3' ' A' ' 18' ' ' LEU . 6.2 mt -55.31 -42.94 69.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.263 0.554 . . . . 0.0 109.552 178.815 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -55.45 -43.68 75.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.986 -1.006 . . . . 0.0 110.835 179.529 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.454 ' HD2' ' HA ' ' A' ' 36' ' ' SER . 13.3 mtt180 -55.57 -50.39 70.2 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-O 121.309 0.576 . . . . 0.0 109.924 179.382 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.573 HG12 ' CD2' ' A' ' 44' ' ' PHE . 86.6 t -59.93 -34.17 55.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.478 179.707 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.847 HD12 ' O ' ' A' ' 15' ' ' LEU . 6.7 mm -70.24 -54.61 17.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.55 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 26.2 t -62.45 -47.96 81.75 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-O 120.849 0.357 . . . . 0.0 110.947 -179.134 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.808 HG23 ' CE2' ' B' ' 129' ' ' TYR . 8.7 mt -59.83 -32.92 50.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.206 179.502 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.787 ' HB3' HD22 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -71.95 -56.7 5.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.056 -0.52 . . . . 0.0 112.141 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.477 ' HG2' ' O ' ' A' ' 41' ' ' ILE . 20.7 pt20 -78.16 -0.65 29.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 112.002 -178.495 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.411 ' OG ' ' CE1' ' B' ' 129' ' ' TYR . 0.2 OUTLIER -51.62 130.96 29.36 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.824 0.345 . . . . 0.0 110.822 179.898 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -50.44 -34.55 25.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.569 -179.472 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.79 ' O ' HD12 ' A' ' 48' ' ' LEU . 1.7 tp -79.25 -43.55 23.52 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.261 -179.74 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.505 ' CE2' HD11 ' A' ' 53' ' ' ILE . 28.8 t80 -51.17 -54.61 23.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.691 0.281 . . . . 0.0 111.285 -179.597 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -54.09 -38.91 65.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.949 0.404 . . . . 0.0 110.712 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.639 ' CB ' HG23 ' D' ' 132' ' ' ILE . . . -58.94 -46.84 87.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.644 179.629 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.574 HD22 HD12 ' B' ' 128' ' ' LEU . 3.4 mt -60.32 -45.97 91.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.39 179.459 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.563 HG12 HD13 ' B' ' 125' ' ' LEU . 50.1 mt -54.45 -36.44 34.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.662 179.483 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.16 -36.1 74.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.255 179.344 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.736 HG22 ' HB2' ' A' ' 59' ' ' TYR . 99.7 mt -63.38 -43.42 98.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.722 179.597 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -52.53 -22.18 4.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.49 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.421 ' O ' ' CD1' ' A' ' 58' ' ' PHE . 36.2 mt-10 -45.08 -34.57 2.64 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.394 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.493 ' CD1' ' HB2' ' C' ' 65' ' ' ASP . 27.7 m-85 -157.58 25.5 0.28 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.622 -179.715 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.858 ' CE2' HD11 ' C' ' 63' ' ' LEU . 11.6 m-85 -129.93 70.44 1.43 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.703 179.601 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.456 ' HB2' ' HB ' ' C' ' 62' ' ' THR . 1.5 mt-10 -58.58 94.48 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.837 0.351 . . . . 0.0 111.043 -179.769 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.611 HG12 HG13 ' C' ' 61' ' ' VAL . 0.0 OUTLIER -72.94 104.51 2.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.117 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.8 m -87.01 120.56 28.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.483 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.442 ' CD1' ' CE2' ' C' ' 59' ' ' TYR . 0.1 OUTLIER -91.41 129.64 37.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 179.897 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.664 HD23 ' N ' ' A' ' 64' ' ' LEU . 0.1 OUTLIER -117.65 -16.43 10.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.36 -179.716 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.13 -5.48 44.5 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.532 -0.303 . . . . 0.0 110.922 179.621 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.332 -0.174 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.39 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.483 0 N-CA-C 109.894 -1.282 . . . . 0.0 109.894 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.656 ' O ' HD23 ' B' ' 82' ' ' LEU . 9.3 tt -89.29 -26.39 21.17 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.18 -1.01 . . . . 0.0 110.195 178.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 83' ' ' LEU . . . . . 0.997 HD23 ' H ' ' B' ' 84' ' ' ALA . 0.7 OUTLIER -67.96 -39.18 83.42 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.959 -179.768 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.997 ' H ' HD23 ' B' ' 83' ' ' LEU . . . -75.47 -21.51 58.03 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.454 -178.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 85' ' ' ALA . . . . . 0.98 ' HB1' ' HB2' ' B' ' 126' ' ' LEU . . . -52.55 -24.61 8.52 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.134 0.492 . . . . 0.0 110.207 179.44 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -124.8 -42.39 2.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.544 178.697 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 87' ' ' ARG . . . . . 0.633 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 33.6 ttt85 -61.05 -46.63 89.93 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.195 178.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 88' ' ' ALA . . . . . 0.829 ' HB2' ' HB1' ' B' ' 84' ' ' ALA . . . -69.02 -46.06 68.94 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.843 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 89' ' ' VAL . . . . . 0.791 HG13 ' CD1' ' B' ' 117' ' ' PHE . 60.7 t -56.83 -50.34 75.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.519 179.416 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 15.6 t -70.93 -21.15 62.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.683 179.358 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 91' ' ' GLN . . . . . 0.456 ' HB3' ' HB2' ' A' ' 36' ' ' SER . 0.3 OUTLIER -67.51 -57.68 6.08 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-O 121.389 0.614 . . . . 0.0 110.073 179.744 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 92' ' ' VAL . . . . . 1.032 HG11 HD22 ' A' ' 18' ' ' LEU . 4.9 t -68.59 -27.97 38.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.157 179.33 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 93' ' ' LEU . . . . . 0.662 HD11 ' HB2' ' B' ' 117' ' ' PHE . 0.7 OUTLIER -70.88 -28.5 64.61 Favored 'General case' 0 C--O 1.231 0.096 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 179.411 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -88.08 -37.04 16.58 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.822 0.344 . . . . 0.0 111.465 -179.615 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 95' ' ' SER . . . . . 0.693 ' HB3' HD21 ' A' ' 33' ' ' LEU . 2.3 m -79.84 -16.76 54.81 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.233 -0.439 . . . . 0.0 112.0 -179.474 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 96' ' ' LEU . . . . . 0.897 HD22 ' CD2' ' B' ' 110' ' ' LEU . 0.1 OUTLIER -39.5 -52.14 2.14 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -179.447 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -65.4 -30.44 71.26 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.123 -179.189 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 98' ' ' GLU . . . . . 0.827 ' O ' ' HB3' ' B' ' 101' ' ' ALA . 0.1 OUTLIER -70.97 -35.98 72.37 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 178.334 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 99' ' ' ILE . . . . . 0.719 HG23 HG21 ' B' ' 103' ' ' THR . 59.2 mt -61.57 -49.32 84.87 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.718 0 CA-C-N 114.646 -1.161 . . . . 0.0 109.562 178.357 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 100' ' ' HIS . . . . . 0.46 ' HB2' ' CD1' ' B' ' 110' ' ' LEU . 8.6 t-160 -53.52 -37.5 62.85 Favored 'General case' 0 CA--C 1.516 -0.354 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 177.725 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 101' ' ' ALA . . . . . 0.827 ' HB3' ' O ' ' B' ' 98' ' ' GLU . . . -55.11 -44.95 75.44 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 113.889 -1.505 . . . . 0.0 111.973 179.437 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 102' ' ' LEU . . . . . 0.79 HD21 ' OE2' ' B' ' 98' ' ' GLU . 0.5 OUTLIER -121.36 31.37 6.35 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 113.229 0.825 . . . . 0.0 113.229 -177.218 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 103' ' ' THR . . . . . 0.719 HG21 HG23 ' B' ' 99' ' ' ILE . 44.2 p -146.19 -38.47 0.23 Allowed 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.843 -0.343 . . . . 0.0 111.622 179.439 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 1.8 t0 75.8 28.69 0.87 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.935 0.398 . . . . 0.0 110.18 -179.202 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 105' ' ' SER . . . . . 0.407 ' O ' ' CB ' ' B' ' 106' ' ' SER . 3.7 m -60.63 -15.2 25.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.551 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 106' ' ' SER . . . . . 0.407 ' CB ' ' O ' ' B' ' 105' ' ' SER . 0.3 OUTLIER 79.11 127.25 0.05 OUTLIER 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 120.873 0.368 . . . . 0.0 110.643 -179.767 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 107' ' ' GLU . . . . . 0.535 ' HA ' HD12 ' B' ' 110' ' ' LEU . 3.3 mt-10 -57.48 -20.79 33.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.23 -179.759 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 10.1 mmtm -63.01 -55.39 26.09 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.995 0.426 . . . . 0.0 110.195 179.465 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 109' ' ' ASP . . . . . 0.689 ' O ' HD12 ' B' ' 113' ' ' LEU . 15.9 m-20 -66.42 -34.98 79.16 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.751 178.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 110' ' ' LEU . . . . . 0.897 ' CD2' HD22 ' B' ' 96' ' ' LEU . 14.3 mt -67.0 -37.23 83.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.37 179.369 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -65.41 -40.84 93.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.307 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 112' ' ' PHE . . . . . 0.526 ' O ' HG23 ' B' ' 116' ' ' VAL . 0.4 OUTLIER -60.6 -47.3 86.8 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.169 179.435 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 113' ' ' LEU . . . . . 0.719 HD11 ' CD1' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -68.97 -39.34 79.5 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.219 179.537 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 114' ' ' HIS . . . . . 0.569 ' O ' ' HG2' ' B' ' 118' ' ' GLN . 0.8 OUTLIER -53.2 -38.82 63.19 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 178.939 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 115' ' ' SER . . . . . 0.503 ' HA ' ' HB2' ' B' ' 118' ' ' GLN . 1.5 m -74.81 -34.79 62.43 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.613 178.594 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 116' ' ' VAL . . . . . 0.814 ' O ' HD22 ' B' ' 122' ' ' LEU . 29.5 t -56.23 -23.79 16.83 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.071 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.443 178.468 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 117' ' ' PHE . . . . . 0.791 ' CD1' HG13 ' B' ' 89' ' ' VAL . 68.9 m-85 -108.26 -20.27 13.2 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.183 179.375 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 118' ' ' GLN . . . . . 0.569 ' HG2' ' O ' ' B' ' 114' ' ' HIS . 6.2 mm100 -61.13 -39.63 90.75 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-O 120.995 0.426 . . . . 0.0 110.596 179.433 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -44.23 138.63 2.96 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.966 -179.164 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -81.57 -42.88 19.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.44 179.506 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -55.91 -33.77 64.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.339 179.301 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 122' ' ' LEU . . . . . 0.814 HD22 ' O ' ' B' ' 116' ' ' VAL . 55.1 tp -55.38 -46.43 76.51 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.846 179.641 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 123' ' ' HIS . . . . . 0.679 ' HA ' ' CD1' ' B' ' 126' ' ' LEU . 0.0 OUTLIER -53.2 -28.08 24.89 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 121.165 0.507 . . . . 0.0 109.872 178.66 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 124' ' ' THR . . . . . 0.547 HG21 HG23 ' A' ' 61' ' ' VAL . 2.8 m -77.16 -32.62 56.34 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.167 179.381 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 125' ' ' LEU . . . . . 0.738 HD12 HD12 ' B' ' 122' ' ' LEU . 20.9 mt -68.2 -43.77 77.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.31 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 126' ' ' LEU . . . . . 0.98 ' HB2' ' HB1' ' B' ' 85' ' ' ALA . 0.2 OUTLIER -73.39 -37.18 66.05 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.735 179.925 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.68 -53.09 62.09 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.324 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 128' ' ' LEU . . . . . 0.863 HD21 ' CD2' ' C' ' 59' ' ' TYR . 4.5 mt -70.99 -35.15 71.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.145 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 129' ' ' TYR . . . . . 0.808 ' CE2' HG23 ' A' ' 43' ' ' ILE . 0.4 OUTLIER -55.17 -50.75 68.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.038 -179.451 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 130' ' ' ASP . . . . . 0.782 ' OD2' ' HB2' ' B' ' 85' ' ' ALA . 14.2 m-20 -75.72 -33.54 60.31 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.327 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -54.88 -50.14 69.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.04 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 132' ' ' ILE . . . . . 0.677 HD12 ' O ' ' B' ' 128' ' ' LEU . 2.0 mt -76.75 -38.69 30.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.968 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 133' ' ' ASN . . . . . 0.46 ' HB2' HD23 ' A' ' 48' ' ' LEU . 8.7 t-20 -65.79 -25.78 67.4 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.558 -179.207 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 134' ' ' THR . . . . . 0.698 HG22 ' HD3' ' B' ' 135' ' ' LYS . 90.1 m -78.97 -49.68 12.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.834 0.35 . . . . 0.0 110.824 -179.771 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 135' ' ' LYS . . . . . 0.698 ' HD3' HG22 ' B' ' 134' ' ' THR . 0.2 OUTLIER 165.57 -26.36 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.928 179.937 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 10.7 p . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.996 -179.829 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.203 0 CA-C-O 120.343 0.116 . . . . 0.0 110.726 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 8' ' ' LYS . . . . . 0.4 ' HG2' ' CG2' ' C' ' 53' ' ' ILE . 1.7 mmmm -69.13 -35.8 76.79 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 179.263 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -77.12 -30.67 55.32 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.518 178.428 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -79.49 -29.71 41.75 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.73 178.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 11' ' ' THR . . . . . 0.671 HG23 ' CD2' ' C' ' 44' ' ' PHE . 55.5 m -73.18 -50.43 22.59 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.126 179.382 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 12' ' ' GLN . . . . . 0.473 ' O ' ' HB2' ' C' ' 16' ' ' HIS . 0.1 OUTLIER -65.28 -35.72 81.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.109 179.375 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.55 -24.72 60.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.114 179.098 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 14' ' ' ALA . . . . . 0.732 ' CB ' HG11 ' D' ' 116' ' ' VAL . . . -78.57 -55.07 5.48 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 178.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 15' ' ' LEU . . . . . 0.744 ' O ' HD12 ' C' ' 41' ' ' ILE . 0.4 OUTLIER -61.01 -26.71 67.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.229 179.426 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' C' C ' 16' ' ' HIS . . . . . 0.473 ' HB2' ' O ' ' C' ' 12' ' ' GLN . 17.8 t-80 -73.86 -50.45 20.24 Favored 'General case' 0 CA--C 1.519 -0.23 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 178.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 17' ' ' LEU . . . . . 0.853 HD22 ' CZ ' ' C' ' 21' ' ' TYR . 1.0 OUTLIER -56.15 -39.25 72.02 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.345 178.693 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' C' C ' 18' ' ' LEU . . . . . 0.831 HD11 ' HZ ' ' D' ' 117' ' ' PHE . 50.3 mt -62.77 -44.52 95.96 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.641 -1.163 . . . . 0.0 110.822 179.587 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 19' ' ' GLU . . . . . 0.419 ' CG ' HG21 ' C' ' 41' ' ' ILE . 3.9 mt-10 -59.15 -34.93 72.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.982 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 20' ' ' GLU . . . . . 0.423 ' O ' ' HG3' ' C' ' 24' ' ' LYS . 1.0 OUTLIER -75.5 -39.99 57.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.973 0.416 . . . . 0.0 110.504 179.866 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' C' C ' 21' ' ' TYR . . . . . 0.853 ' CZ ' HD22 ' C' ' 17' ' ' LEU . 21.9 m-85 -66.65 -47.43 72.56 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.631 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 22' ' ' ARG . . . . . 0.529 ' HG3' ' N ' ' C' ' 23' ' ' SER . 0.0 OUTLIER -57.8 -48.26 80.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.783 179.808 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' C' C ' 23' ' ' SER . . . . . 0.529 ' N ' ' HG3' ' C' ' 22' ' ' ARG . 1.3 p -56.5 -37.2 70.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.033 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 24' ' ' LYS . . . . . 0.454 ' NZ ' ' HB ' ' D' ' 103' ' ' THR . 0.0 OUTLIER -101.52 8.73 41.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.448 179.886 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' C' C ' 25' ' ' LEU . . . . . 0.878 HD12 HD11 ' C' ' 37' ' ' ILE . 0.2 OUTLIER -93.38 -62.56 1.35 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.041 0.448 . . . . 0.0 111.483 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' C' C ' 26' ' ' SER . . . . . 0.686 ' HB2' ' HA ' ' C' ' 31' ' ' ARG . 27.7 p -58.45 -18.36 28.04 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.706 -0.679 . . . . 0.0 112.301 -178.586 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 27' ' ' GLN . . . . . 0.424 ' O ' ' HB ' ' C' ' 28' ' ' THR . 1.1 mm100 -76.4 51.34 0.71 Allowed 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.465 -179.272 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 28' ' ' THR . . . . . 0.484 HG23 ' N ' ' C' ' 29' ' ' GLU . 3.1 t -176.15 -55.74 0.01 OUTLIER 'General case' 0 C--N 1.334 -0.09 0 CA-C-O 120.683 0.278 . . . . 0.0 111.724 179.299 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 29' ' ' GLU . . . . . 0.484 ' N ' HG23 ' C' ' 28' ' ' THR . 17.5 pt-20 -178.01 26.33 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.752 -179.554 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 30' ' ' ASP . . . . . 0.465 ' HB2' HD22 ' C' ' 25' ' ' LEU . 5.3 m-20 -131.81 50.16 2.26 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.891 -179.814 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 31' ' ' ARG . . . . . 0.686 ' HA ' ' HB2' ' C' ' 26' ' ' SER . 22.3 mmm180 -66.92 -51.33 56.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.487 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 8.0 tp60 -59.12 -45.35 91.13 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.229 0.538 . . . . 0.0 109.774 178.668 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 33' ' ' LEU . . . . . 0.738 HD21 ' HB3' ' D' ' 95' ' ' SER . 7.2 tp -55.56 -37.34 67.88 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.352 179.022 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 34' ' ' ARG . . . . . 0.663 ' HB2' ' HB3' ' C' ' 26' ' ' SER . 6.7 ttt180 -60.13 -42.28 94.47 Favored 'General case' 0 CA--C 1.516 -0.346 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 178.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 10.8 t -55.72 -39.92 71.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.969 178.492 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 36' ' ' SER . . . . . 0.423 ' O ' ' HB2' ' C' ' 39' ' ' ARG . 2.2 m -65.55 -51.52 59.26 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.244 179.13 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 37' ' ' ILE . . . . . 0.878 HD11 HD12 ' C' ' 25' ' ' LEU . 40.6 mt -57.13 -36.39 51.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 178.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -62.36 -40.74 97.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.143 179.314 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 39' ' ' ARG . . . . . 0.651 ' HB3' ' HB1' ' D' ' 88' ' ' ALA . 17.6 mtt180 -55.51 -50.49 69.82 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.426 179.075 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 40' ' ' VAL . . . . . 0.551 ' O ' ' HB2' ' C' ' 44' ' ' PHE . 19.7 t -61.06 -30.73 48.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.87 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 41' ' ' ILE . . . . . 0.744 HD12 ' O ' ' C' ' 15' ' ' LEU . 12.5 mm -69.14 -51.76 40.33 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 N-CA-C 111.827 0.306 . . . . 0.0 111.827 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 11.4 t -65.38 -48.97 71.05 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-O 120.927 0.394 . . . . 0.0 111.199 -178.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 43' ' ' ILE . . . . . 0.639 HG23 ' CD2' ' D' ' 129' ' ' TYR . 9.2 mt -59.47 -34.37 54.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.543 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.54 179.759 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 44' ' ' PHE . . . . . 0.691 ' HB3' HD22 ' C' ' 15' ' ' LEU . 3.0 m-85 -71.9 -54.05 11.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.086 -0.506 . . . . 0.0 112.26 -179.694 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 45' ' ' GLN . . . . . 0.469 ' HG2' ' O ' ' C' ' 41' ' ' ILE . 17.3 pt20 -79.5 -0.96 35.4 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -178.427 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.41 141.78 18.96 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.839 0.352 . . . . 0.0 110.853 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -60.59 -39.69 89.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.532 -179.597 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 48' ' ' LEU . . . . . 0.868 ' O ' HD12 ' C' ' 48' ' ' LEU . 1.2 tp -77.75 -43.04 32.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.17 -179.684 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 49' ' ' PHE . . . . . 0.776 ' CE2' HD11 ' C' ' 53' ' ' ILE . 82.8 t80 -50.92 -54.26 25.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.08 -179.417 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 50' ' ' GLN . . . . . 0.469 HE21 ' HB3' ' C' ' 50' ' ' GLN . 3.8 mm100 -55.51 -35.81 66.02 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.875 0.369 . . . . 0.0 110.446 179.424 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 51' ' ' ALA . . . . . 0.49 ' CB ' HG23 ' B' ' 132' ' ' ILE . . . -58.91 -48.6 80.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.471 179.436 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 52' ' ' LEU . . . . . 0.462 HD21 ' HB3' ' D' ' 128' ' ' LEU . 5.9 mt -57.61 -43.3 84.64 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.077 179.192 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 53' ' ' ILE . . . . . 0.776 HD11 ' CE2' ' C' ' 49' ' ' PHE . 37.0 mt -56.08 -36.03 43.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.164 179.18 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.07 -28.76 62.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.545 179.328 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 55' ' ' ILE . . . . . 0.615 HG22 ' HB2' ' C' ' 59' ' ' TYR . 70.2 mt -74.82 -45.15 44.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.158 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 56' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -49.71 -22.48 1.39 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.887 -179.644 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 57' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -43.21 -46.6 6.14 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.742 0.306 . . . . 0.0 111.481 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 58' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -145.33 33.09 1.08 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.017 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 59' ' ' TYR . . . . . 0.863 ' CD2' HD21 ' B' ' 128' ' ' LEU . 52.6 m-85 -133.99 69.74 1.46 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.512 179.623 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -60.4 96.18 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 61' ' ' VAL . . . . . 0.611 HG13 HG12 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -72.98 96.97 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.555 179.897 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' C' C ' 62' ' ' THR . . . . . 0.456 ' HB ' ' HB2' ' A' ' 60' ' ' GLU . 11.8 m -74.07 119.98 19.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.895 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 63' ' ' LEU . . . . . 0.858 HD11 ' CE2' ' A' ' 59' ' ' TYR . 1.1 mp -89.8 127.2 35.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.668 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 64' ' ' LEU . . . . . 0.621 ' N ' HD23 ' C' ' 64' ' ' LEU . 0.2 OUTLIER -120.0 -14.98 8.84 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 179.928 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' C' C ' 65' ' ' ASP . . . . . 0.493 ' HB2' ' CD1' ' A' ' 58' ' ' PHE . 8.4 t70 -136.5 6.49 3.0 Favored 'General case' 0 C--O 1.232 0.169 0 N-CA-C 112.219 0.451 . . . . 0.0 112.219 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 66' ' ' ASN . . . . . 0.569 ' HB2' ' CD2' ' C' ' 63' ' ' LEU . 1.1 m120 . . . . . 0 C--N 1.328 -0.358 0 CA-C-O 120.547 0.213 . . . . 0.0 111.311 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 81' ' ' GLY . . . . . 0.64 ' O ' ' HB2' ' D' ' 85' ' ' ALA . . . . . . . . 0 N--CA 1.448 -0.512 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 82' ' ' LEU . . . . . 0.82 ' N ' HD23 ' D' ' 82' ' ' LEU . 0.4 OUTLIER -73.66 -36.31 65.35 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.366 0.603 . . . . 0.0 109.411 178.868 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D ' 83' ' ' LEU . . . . . 0.868 HD23 ' H ' ' D' ' 84' ' ' ALA . 0.4 OUTLIER -55.8 -42.4 75.58 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.251 -179.85 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D ' 84' ' ' ALA . . . . . 0.893 ' HB1' ' HB2' ' D' ' 88' ' ' ALA . . . -113.6 1.57 15.0 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.675 -0.693 . . . . 0.0 112.405 -177.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 85' ' ' ALA . . . . . 0.79 ' O ' HD13 ' D' ' 126' ' ' LEU . . . -53.08 -25.92 14.46 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 108.145 -1.058 . . . . 0.0 108.145 177.391 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 86' ' ' GLU . . . . . 0.446 ' HG3' ' CE1' ' D' ' 123' ' ' HIS . 0.6 OUTLIER -120.25 -31.37 4.4 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 114.642 -1.163 . . . . 0.0 109.533 178.126 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D ' 87' ' ' ARG . . . . . 0.882 ' HB2' ' HA ' ' D' ' 84' ' ' ALA . 0.9 OUTLIER -66.83 -53.95 27.41 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 121.162 0.506 . . . . 0.0 109.947 179.04 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D ' 88' ' ' ALA . . . . . 0.893 ' HB2' ' HB1' ' D' ' 84' ' ' ALA . . . -56.3 -41.63 76.25 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.497 179.729 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 89' ' ' VAL . . . . . 0.867 HG13 ' CD1' ' D' ' 117' ' ' PHE . 98.7 t -68.37 -50.37 57.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.804 178.694 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 5.5 t -62.7 -24.85 67.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.537 179.303 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 91' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -67.54 -51.02 55.8 Favored 'General case' 0 CA--C 1.516 -0.354 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 179.382 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 92' ' ' VAL . . . . . 0.798 HG11 ' CD2' ' C' ' 18' ' ' LEU . 11.9 t -74.35 -28.49 22.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.894 178.791 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 93' ' ' LEU . . . . . 0.888 HD21 ' HA ' ' D' ' 114' ' ' HIS . 1.4 mt -69.16 -27.07 65.2 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.835 179.249 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.31 -43.42 10.95 Favored 'General case' 0 C--N 1.334 -0.093 0 CA-C-O 120.925 0.393 . . . . 0.0 111.175 -179.815 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 95' ' ' SER . . . . . 0.738 ' HB3' HD21 ' C' ' 33' ' ' LEU . 0.5 OUTLIER -79.69 -16.93 54.79 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.993 -179.494 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D ' 96' ' ' LEU . . . . . 0.649 HD22 HD22 ' D' ' 110' ' ' LEU . 0.1 OUTLIER -41.22 -50.49 3.6 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.022 0.439 . . . . 0.0 111.853 -179.526 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D ' 97' ' ' GLU . . . . . 0.422 ' HA ' HD13 ' D' ' 110' ' ' LEU . 51.5 mt-10 -68.94 -28.71 66.9 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.058 -179.623 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 98' ' ' GLU . . . . . 0.795 ' O ' ' HB3' ' D' ' 101' ' ' ALA . 0.2 OUTLIER -70.49 -34.61 72.55 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 178.119 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D ' 99' ' ' ILE . . . . . 0.83 HG12 HD11 ' C' ' 25' ' ' LEU . 73.0 mt -60.08 -49.57 83.54 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.681 0 CA-C-N 114.591 -1.186 . . . . 0.0 109.449 178.146 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 100' ' ' HIS . . . . . 0.885 ' HB2' HD11 ' D' ' 110' ' ' LEU . 0.2 OUTLIER -56.35 -34.95 67.11 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 178.232 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D ' 101' ' ' ALA . . . . . 0.795 ' HB3' ' O ' ' D' ' 98' ' ' GLU . . . -55.67 -43.92 76.78 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.577 -1.192 . . . . 0.0 111.679 179.366 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 102' ' ' LEU . . . . . 0.676 HD12 HG23 ' D' ' 103' ' ' THR . 0.3 OUTLIER -118.4 24.83 10.69 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -177.529 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D ' 103' ' ' THR . . . . . 0.676 HG23 HD12 ' D' ' 102' ' ' LEU . 37.7 p -141.63 -23.7 0.72 Allowed 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.095 0.405 . . . . 0.0 112.095 179.748 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 1.8 t0 67.46 23.83 8.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.078 0.466 . . . . 0.0 110.557 -179.368 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 105' ' ' SER . . . . . 0.42 ' HB3' ' CZ ' ' C' ' 21' ' ' TYR . 32.7 m -62.3 -16.1 51.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.119 179.77 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 106' ' ' SER . . . . . . . . . . . . . 4.2 t 78.9 124.64 0.04 OUTLIER 'General case' 0 C--O 1.232 0.163 0 CA-C-O 121.017 0.437 . . . . 0.0 111.043 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -54.16 -24.17 17.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.854 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 4.8 mmtt -59.02 -54.56 45.76 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.026 0.441 . . . . 0.0 110.034 179.455 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 109' ' ' ASP . . . . . 0.479 ' O ' HD12 ' D' ' 113' ' ' LEU . 3.3 m-20 -61.5 -40.37 94.35 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.833 179.036 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 110' ' ' LEU . . . . . 0.885 HD11 ' HB2' ' D' ' 100' ' ' HIS . 83.9 mt -61.96 -39.85 93.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.351 179.323 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 111' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -60.06 -43.1 95.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.406 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 112' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -58.72 -47.25 85.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.174 179.563 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 113' ' ' LEU . . . . . 0.695 HD23 ' HB1' ' C' ' 14' ' ' ALA . 0.5 OUTLIER -70.22 -33.01 71.15 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.425 179.861 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D ' 114' ' ' HIS . . . . . 0.888 ' HA ' HD21 ' D' ' 93' ' ' LEU . 0.1 OUTLIER -57.57 -33.96 68.7 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 178.189 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D ' 115' ' ' SER . . . . . 0.429 ' HA ' ' HB2' ' D' ' 118' ' ' GLN . 14.8 m -74.94 -38.88 61.64 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.013 178.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 116' ' ' VAL . . . . . 0.847 ' O ' HD22 ' D' ' 122' ' ' LEU . 54.0 t -57.26 -23.55 19.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.311 -0.859 . . . . 0.0 109.702 178.289 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 117' ' ' PHE . . . . . 0.867 ' CD1' HG13 ' D' ' 89' ' ' VAL . 25.8 m-85 -103.45 -37.58 7.53 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.585 -179.626 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 118' ' ' GLN . . . . . 0.429 ' HB2' ' HA ' ' D' ' 115' ' ' SER . 0.8 OUTLIER -55.23 -32.91 62.67 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.49 -178.963 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -46.09 138.96 4.83 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.636 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 120' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -80.88 -45.67 16.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.769 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 121' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -55.78 -33.95 64.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.553 179.628 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 122' ' ' LEU . . . . . 0.847 HD22 ' O ' ' D' ' 116' ' ' VAL . 53.9 tp -55.58 -49.57 72.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.307 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 123' ' ' HIS . . . . . 0.909 ' HA ' HD12 ' D' ' 126' ' ' LEU . 93.4 m-70 -50.83 -27.47 7.43 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.192 0.52 . . . . 0.0 110.034 178.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 124' ' ' THR . . . . . 0.569 HG21 ' CG2' ' C' ' 61' ' ' VAL . 2.0 m -76.56 -35.86 57.95 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.848 179.174 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 125' ' ' LEU . . . . . 0.718 HD13 HG12 ' C' ' 53' ' ' ILE . 11.9 mt -67.21 -37.63 83.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.496 179.441 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 126' ' ' LEU . . . . . 0.909 HD12 ' HA ' ' D' ' 123' ' ' HIS . 0.9 OUTLIER -68.93 -49.33 59.01 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.669 179.784 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D ' 127' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.79 -53.28 59.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.285 -179.767 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 128' ' ' LEU . . . . . 0.796 HD21 ' CD2' ' A' ' 59' ' ' TYR . 52.5 mt -62.53 -36.98 84.32 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.18 -179.669 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 129' ' ' TYR . . . . . 0.639 ' CD2' HG23 ' C' ' 43' ' ' ILE . 0.3 OUTLIER -55.8 -52.25 64.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.887 0.375 . . . . 0.0 110.96 -179.344 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D ' 130' ' ' ASP . . . . . 0.453 ' HB3' ' CD2' ' D' ' 82' ' ' LEU . 7.8 t70 -76.19 -28.97 57.48 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.078 179.785 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.86 -54.01 47.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.847 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 132' ' ' ILE . . . . . 0.745 HD12 ' O ' ' D' ' 128' ' ' LEU . 1.6 mt -75.46 -38.15 39.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.757 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 133' ' ' ASN . . . . . 0.487 ' HB2' HD23 ' C' ' 48' ' ' LEU . 27.8 t-20 -63.83 -28.14 69.65 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.215 -179.644 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 134' ' ' THR . . . . . . . . . . . . . 89.5 m -85.5 -31.48 22.73 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.941 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 135' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.32 -35.29 58.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.55 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 136' ' ' SER . . . . . . . . . . . . . 12.5 t . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.98 -179.706 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.6 ttm180 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.73 -38.33 88.86 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-O 121.255 0.55 . . . . 0.0 109.525 179.006 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -74.99 -30.61 61.21 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.806 178.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -78.91 -29.59 44.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.919 179.19 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.578 HG23 ' CD2' ' A' ' 44' ' ' PHE . 58.6 m -70.08 -45.7 66.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.359 179.62 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -69.61 -38.49 77.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.291 -0.413 . . . . 0.0 109.988 179.329 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 44.4 ttt180 -71.96 -24.37 61.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.038 179.022 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.786 ' CB ' HG11 ' B' ' 116' ' ' VAL . . . -78.46 -54.8 5.77 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 121.229 0.538 . . . . 0.0 109.569 179.119 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.834 ' HA ' HD12 ' A' ' 18' ' ' LEU . 0.4 OUTLIER -63.11 -25.03 68.17 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.738 179.272 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 17.3 t-80 -72.97 -46.46 52.18 Favored 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 178.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.898 HD22 ' CE1' ' A' ' 21' ' ' TYR . 2.2 mt -62.06 -35.5 78.83 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.562 -0.744 . . . . 0.0 109.258 178.43 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.896 ' CD2' HG11 ' B' ' 92' ' ' VAL . 52.7 mt -61.54 -44.43 97.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.572 179.516 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -63.08 -37.48 87.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -73.47 -37.51 65.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.057 179.661 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.898 ' CE1' HD22 ' A' ' 17' ' ' LEU . 14.8 m-30 -68.18 -45.81 72.43 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.902 179.566 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.634 ' HA ' HD12 ' A' ' 37' ' ' ILE . 0.1 OUTLIER -55.1 -51.11 67.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.809 179.735 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 60.6 p -56.42 -42.79 78.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.873 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.2 ptmt -89.78 3.12 53.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.632 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 1.076 HD12 HD11 ' A' ' 37' ' ' ILE . 0.2 OUTLIER -92.14 -67.3 0.86 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.981 0.42 . . . . 0.0 111.176 -179.799 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.462 ' HB3' ' HB2' ' A' ' 34' ' ' ARG . 2.5 p -59.41 -158.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.208 -179.308 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.429 ' OE1' ' NH1' ' A' ' 31' ' ' ARG . 1.7 mp0 60.04 27.83 17.3 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 120.967 0.413 . . . . 0.0 110.537 -179.785 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.779 HG23 ' H ' ' A' ' 29' ' ' GLU . 3.5 t -150.47 -63.15 0.2 Allowed 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 121.211 0.529 . . . . 0.0 111.222 -179.693 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.779 ' H ' HG23 ' A' ' 28' ' ' THR . 17.2 pt-20 -172.79 27.92 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.323 -179.508 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.414 ' HB3' ' HB3' ' A' ' 33' ' ' LEU . 2.0 m-20 -143.17 52.56 1.36 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.657 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.429 ' NH1' ' OE1' ' A' ' 27' ' ' GLN . 12.5 mmm180 -66.08 -52.52 48.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.181 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -55.79 -47.08 77.72 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.201 0.524 . . . . 0.0 109.693 178.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.874 HD21 ' HB3' ' B' ' 95' ' ' SER . 11.0 tp -55.64 -34.06 64.59 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.798 178.8 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.462 ' HB2' ' HB3' ' A' ' 26' ' ' SER . 7.2 ttp180 -60.62 -42.63 97.23 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.491 178.826 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.9 t -62.06 -33.79 75.05 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.306 179.049 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.519 ' O ' ' HG2' ' A' ' 39' ' ' ARG . 5.6 p -65.91 -48.68 70.65 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.944 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 1.076 HD11 HD12 ' A' ' 25' ' ' LEU . 32.4 mt -60.51 -39.19 80.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.135 0.493 . . . . 0.0 109.744 179.134 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.401 ' HA ' HG12 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -62.58 -51.78 66.01 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.028 -0.987 . . . . 0.0 111.918 -179.65 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.779 ' HG3' ' HB1' ' B' ' 88' ' ' ALA . 4.5 ptp180 -55.21 -39.3 69.48 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.15 -179.61 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.433 ' O ' ' HB2' ' A' ' 44' ' ' PHE . 92.3 t -63.59 -38.01 81.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.863 178.386 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.62 HD11 ' HB3' ' A' ' 18' ' ' LEU . 9.4 mm -57.6 -56.4 15.59 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.156 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.087 179.484 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.8 p -59.71 -47.2 86.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.848 0.356 . . . . 0.0 110.555 -179.495 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.738 HG23 ' CE2' ' B' ' 129' ' ' TYR . 14.7 mt -59.89 -34.89 57.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.971 179.347 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.716 ' HB3' HD22 ' A' ' 15' ' ' LEU . 1.4 m-85 -72.56 -56.66 5.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.775 179.665 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -81.88 2.83 28.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.023 -0.535 . . . . 0.0 112.129 -178.619 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.6 p -50.12 175.57 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.844 0.354 . . . . 0.0 111.118 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -88.18 -38.38 15.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.213 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.826 ' O ' HD12 ' A' ' 48' ' ' LEU . 1.8 tp -79.72 -43.08 23.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.546 -179.619 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.59 ' HZ ' HD11 ' B' ' 122' ' ' LEU . 42.7 t80 -50.58 -56.35 12.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.103 -179.372 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -58.54 -31.84 68.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.953 0.406 . . . . 0.0 110.035 179.306 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.561 ' HB3' ' O ' ' A' ' 48' ' ' LEU . . . -60.06 -47.92 83.87 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.379 179.306 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.613 HD13 ' O ' ' B' ' 125' ' ' LEU . 1.6 mt -60.14 -44.37 94.99 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.404 179.481 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.677 HG12 HD13 ' B' ' 125' ' ' LEU . 11.9 mt -55.03 -37.38 42.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.487 179.389 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -73.2 -38.31 66.15 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.085 178.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.724 HG22 ' HB2' ' A' ' 59' ' ' TYR . 70.0 mt -60.86 -44.35 97.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.49 179.381 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -52.27 -24.84 8.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.486 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -49.3 -28.22 4.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.687 0.279 . . . . 0.0 111.118 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.431 ' CG ' ' HB2' ' C' ' 65' ' ' ASP . 52.9 m-85 -153.62 24.17 0.52 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.316 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.933 ' CD2' HD21 ' D' ' 128' ' ' LEU . 49.6 m-85 -135.91 80.62 1.84 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.5 179.77 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -66.98 95.04 0.36 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.57 HG13 ' CG1' ' C' ' 61' ' ' VAL . 0.0 OUTLIER -72.66 96.9 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-O 120.934 0.397 . . . . 0.0 110.737 179.794 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.442 ' O ' HD23 ' A' ' 64' ' ' LEU . 3.1 m -82.68 104.43 12.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.613 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.473 HD12 HG23 ' B' ' 124' ' ' THR . 0.3 OUTLIER -82.1 130.47 35.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.961 0.41 . . . . 0.0 110.649 179.681 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.725 HD23 ' N ' ' A' ' 64' ' ' LEU . 0.1 OUTLIER -109.79 -27.09 9.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.033 -179.526 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.415 ' HB2' ' CG ' ' C' ' 58' ' ' PHE . 15.3 t0 -70.44 -25.62 63.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.564 179.679 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.517 -0.309 0 CA-C-O 121.508 0.67 . . . . 0.0 110.764 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.48 0 N-CA-C 110.187 -1.165 . . . . 0.0 110.187 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.736 ' O ' HD23 ' B' ' 82' ' ' LEU . 9.6 tt -106.78 -22.71 12.63 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 114.692 -0.754 . . . . 0.0 110.249 179.14 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 83' ' ' LEU . . . . . 0.938 HD23 ' H ' ' B' ' 84' ' ' ALA . 0.6 OUTLIER -71.05 -40.22 71.79 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.369 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 1.085 ' HB1' ' HB2' ' B' ' 88' ' ' ALA . . . -82.35 -17.31 46.1 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.834 -179.032 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 85' ' ' ALA . . . . . 0.825 ' HB1' ' HB3' ' B' ' 126' ' ' LEU . . . -52.06 -23.03 4.64 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.227 -0.589 . . . . 0.0 109.728 179.152 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -127.06 -40.02 1.89 Allowed 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.793 178.511 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 87' ' ' ARG . . . . . 0.653 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 33.8 ttt85 -65.59 -40.49 92.74 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.733 179.471 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 88' ' ' ALA . . . . . 1.085 ' HB2' ' HB1' ' B' ' 84' ' ' ALA . . . -68.53 -42.9 77.82 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.0 -179.578 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 89' ' ' VAL . . . . . 0.763 HG13 ' CD1' ' B' ' 117' ' ' PHE . 61.0 t -69.66 -36.0 68.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.374 179.31 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 2.4 t -74.31 -26.75 60.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.673 179.53 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 91' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -67.4 -57.08 7.23 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-O 121.329 0.585 . . . . 0.0 109.742 179.455 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 92' ' ' VAL . . . . . 0.896 HG11 ' CD2' ' A' ' 18' ' ' LEU . 6.2 t -65.37 -27.65 42.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.276 -0.874 . . . . 0.0 109.96 179.069 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 93' ' ' LEU . . . . . 0.766 HD21 ' HA ' ' B' ' 114' ' ' HIS . 2.7 mt -66.26 -36.52 83.21 Favored 'General case' 0 C--O 1.231 0.09 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.555 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.52 -39.25 20.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.975 0.417 . . . . 0.0 111.039 -179.51 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 95' ' ' SER . . . . . 0.874 ' HB3' HD21 ' A' ' 33' ' ' LEU . 5.5 m -80.22 -17.89 51.04 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.133 -179.256 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 96' ' ' LEU . . . . . 0.515 HD13 ' HB3' ' B' ' 110' ' ' LEU . 0.1 OUTLIER -38.53 -52.41 1.6 Allowed 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -179.077 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -71.21 -28.23 64.06 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.037 -179.365 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 98' ' ' GLU . . . . . 0.821 ' O ' ' HB3' ' B' ' 101' ' ' ALA . 0.1 OUTLIER -69.6 -33.56 72.87 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 177.764 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 99' ' ' ILE . . . . . 0.623 HG23 HG21 ' B' ' 103' ' ' THR . 58.1 mt -63.36 -49.58 82.28 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.862 0 CA-C-N 114.51 -1.223 . . . . 0.0 109.689 178.508 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 100' ' ' HIS . . . . . 0.961 ' HB2' HD11 ' B' ' 110' ' ' LEU . 0.2 OUTLIER -56.48 -32.88 65.42 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 178.116 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 101' ' ' ALA . . . . . 0.821 ' HB3' ' O ' ' B' ' 98' ' ' GLU . . . -57.39 -46.07 83.84 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 114.54 -1.209 . . . . 0.0 111.986 179.38 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 102' ' ' LEU . . . . . 0.673 HD12 HG23 ' B' ' 103' ' ' THR . 0.4 OUTLIER -116.63 26.66 9.7 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.736 -177.48 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 103' ' ' THR . . . . . 0.673 HG23 HD12 ' B' ' 102' ' ' LEU . 31.9 p -140.67 -31.93 0.6 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.663 0.268 . . . . 0.0 111.484 179.604 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 1.1 t70 68.45 27.25 6.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.963 0.411 . . . . 0.0 110.55 -179.586 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 105' ' ' SER . . . . . 0.414 ' HB3' ' CE1' ' A' ' 21' ' ' TYR . 10.9 m -53.8 -77.75 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.654 179.813 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 167.55 105.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.429 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -47.97 -35.17 10.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.869 0.366 . . . . 0.0 110.638 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.8 -43.15 89.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.631 178.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 109' ' ' ASP . . . . . 0.658 ' O ' HD12 ' B' ' 113' ' ' LEU . 0.9 OUTLIER -63.94 -39.74 94.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.767 179.0 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 110' ' ' LEU . . . . . 0.961 HD11 ' HB2' ' B' ' 100' ' ' HIS . 50.8 mt -61.46 -35.01 76.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.816 179.048 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 111' ' ' ASP . . . . . 0.65 ' HA ' ' CD2' ' B' ' 114' ' ' HIS . 5.0 m-20 -64.01 -48.67 75.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.737 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 112' ' ' PHE . . . . . 0.582 ' O ' HG23 ' B' ' 116' ' ' VAL . 1.3 t80 -58.86 -37.79 77.3 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.865 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 113' ' ' LEU . . . . . 0.713 HD11 ' CD1' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -75.96 -36.74 59.18 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.033 -179.865 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 114' ' ' HIS . . . . . 0.766 ' HA ' HD21 ' B' ' 93' ' ' LEU . 0.0 OUTLIER -59.05 -33.35 70.66 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 178.939 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 39.2 t -75.81 -36.76 59.61 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 178.283 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 116' ' ' VAL . . . . . 0.859 ' O ' HD22 ' B' ' 122' ' ' LEU . 28.1 t -61.34 -23.33 30.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.726 178.297 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 117' ' ' PHE . . . . . 0.763 ' CD1' HG13 ' B' ' 89' ' ' VAL . 27.8 m-85 -100.49 -37.08 8.97 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.374 -179.642 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -62.49 -28.06 69.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.682 -179.095 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -41.16 114.72 0.52 Allowed 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.792 -179.325 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.32 -43.01 92.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.495 179.771 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 16.9 m-70 -60.99 -34.15 74.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.448 179.478 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 122' ' ' LEU . . . . . 0.859 HD22 ' O ' ' B' ' 116' ' ' VAL . 48.8 tp -56.03 -49.08 74.69 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.498 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 123' ' ' HIS . . . . . 1.021 ' HA ' HD12 ' B' ' 126' ' ' LEU . 97.1 m-70 -53.81 -26.03 22.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.981 179.04 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 124' ' ' THR . . . . . 0.689 HG22 HD11 ' B' ' 128' ' ' LEU . 1.9 m -74.22 -40.21 62.59 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.294 178.755 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 125' ' ' LEU . . . . . 0.834 HD12 HD12 ' B' ' 122' ' ' LEU . 4.9 mt -67.02 -31.82 72.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.845 178.857 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 126' ' ' LEU . . . . . 1.021 HD12 ' HA ' ' B' ' 123' ' ' HIS . 7.1 mt -73.29 -50.87 19.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.393 -179.582 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.87 -51.55 68.8 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.909 0.385 . . . . 0.0 110.942 179.759 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 128' ' ' LEU . . . . . 0.939 HD21 ' CD2' ' C' ' 59' ' ' TYR . 12.0 mt -60.66 -37.48 81.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.34 179.595 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 129' ' ' TYR . . . . . 0.738 ' CE2' HG23 ' A' ' 43' ' ' ILE . 0.2 OUTLIER -56.95 -44.25 82.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.359 179.567 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 130' ' ' ASP . . . . . 0.586 ' CG ' ' HA ' ' B' ' 82' ' ' LEU . 0.2 OUTLIER -76.07 -39.24 55.85 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.064 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 15.2 mttm -54.98 -53.84 50.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.496 -179.488 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 132' ' ' ILE . . . . . 0.731 HD12 ' O ' ' B' ' 128' ' ' LEU . 2.2 mt -72.26 -38.21 61.21 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 CA-C-O 120.978 0.418 . . . . 0.0 110.67 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 133' ' ' ASN . . . . . 0.452 ' HB2' HD23 ' A' ' 48' ' ' LEU . 60.6 t-20 -60.53 -32.64 71.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.672 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 80.7 m -64.02 -29.67 70.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.914 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.59 -29.78 14.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.019 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 136' ' ' SER . . . . . 0.459 ' HA ' ' ND2' ' C' ' 47' ' ' ASN . 1.9 t . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.043 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 7' ' ' ARG . . . . . . . . . . . . . 12.0 ttm-85 . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 1.5 tptp -60.88 -38.17 84.7 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-O 121.149 0.5 . . . . 0.0 109.722 179.101 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 61.4 mm-40 -73.93 -29.19 61.9 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.066 179.094 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 10' ' ' ASP . . . . . 0.593 ' HB3' HG22 ' D' ' 116' ' ' VAL . 93.1 m-20 -78.13 -31.76 50.06 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.371 179.675 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 11' ' ' THR . . . . . 0.427 HG21 ' CD1' ' C' ' 53' ' ' ILE . 16.8 p -71.92 -42.73 66.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.384 179.69 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 12' ' ' GLN . . . . . 0.446 ' HA ' HD23 ' C' ' 15' ' ' LEU . 0.5 OUTLIER -68.95 -40.59 78.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.389 179.561 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 12.2 ttt180 -72.9 -24.36 60.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.183 179.031 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 14' ' ' ALA . . . . . 0.902 ' CB ' HG11 ' D' ' 116' ' ' VAL . . . -78.72 -50.79 10.78 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.877 179.3 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 15' ' ' LEU . . . . . 0.785 ' O ' HD12 ' C' ' 41' ' ' ILE . 0.5 OUTLIER -66.81 -27.24 67.41 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.763 179.623 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 16' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -73.61 -45.86 50.47 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 178.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 17' ' ' LEU . . . . . 0.824 HD22 ' CE1' ' C' ' 21' ' ' TYR . 1.6 mt -61.62 -42.16 98.49 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.669 178.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 18' ' ' LEU . . . . . 0.773 ' HB3' HD11 ' C' ' 41' ' ' ILE . 10.7 mt -58.99 -42.91 91.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.393 -0.822 . . . . 0.0 110.629 179.617 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 19' ' ' GLU . . . . . 0.406 ' O ' ' CG ' ' C' ' 22' ' ' ARG . 0.0 OUTLIER -58.05 -45.71 86.56 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.06 0.457 . . . . 0.0 110.508 179.637 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -69.81 -32.98 71.71 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.697 179.086 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 21' ' ' TYR . . . . . 0.824 ' CE1' HD22 ' C' ' 17' ' ' LEU . 9.1 m-30 -65.93 -47.42 74.77 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.915 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 22' ' ' ARG . . . . . 0.514 ' HA ' HD12 ' C' ' 37' ' ' ILE . 9.1 ptt85 -59.95 -43.58 94.93 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.866 0.365 . . . . 0.0 110.758 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 1.7 p -58.09 -39.66 79.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.679 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 24' ' ' LYS . . . . . 0.41 ' HG3' ' HB ' ' D' ' 103' ' ' THR . 5.9 ptmt -94.0 -11.42 30.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.828 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 25' ' ' LEU . . . . . 0.804 HD12 HD11 ' C' ' 37' ' ' ILE . 0.7 OUTLIER -79.32 -68.78 0.63 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.873 0.368 . . . . 0.0 111.152 -179.632 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 26' ' ' SER . . . . . 0.468 ' HB2' ' HB2' ' C' ' 34' ' ' ARG . 33.6 t -62.39 -144.46 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.803 -179.396 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 48.35 27.24 1.3 Allowed 'General case' 0 N--CA 1.452 -0.346 0 CA-C-O 120.992 0.425 . . . . 0.0 110.35 -179.429 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 28' ' ' THR . . . . . 0.533 HG23 ' N ' ' C' ' 29' ' ' GLU . 12.9 t -152.18 -53.4 0.12 Allowed 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.856 -179.619 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 29' ' ' GLU . . . . . 0.533 ' N ' HG23 ' C' ' 28' ' ' THR . 9.7 pt-20 -177.47 26.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.779 -179.807 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 30' ' ' ASP . . . . . 0.518 ' CB ' HD22 ' C' ' 25' ' ' LEU . 0.9 OUTLIER -141.71 55.07 1.5 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.992 0.425 . . . . 0.0 110.914 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 2.0 mmm180 -65.02 -50.81 64.8 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.096 179.614 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.88 -50.56 73.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.083 179.156 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 33' ' ' LEU . . . . . 0.81 HD21 ' HB3' ' D' ' 95' ' ' SER . 4.9 tp -52.72 -33.32 47.43 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.092 179.058 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 34' ' ' ARG . . . . . 0.468 ' HB2' ' HB2' ' C' ' 26' ' ' SER . 6.8 ttp180 -60.62 -49.76 76.24 Favored 'General case' 0 CA--C 1.517 -0.311 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 178.806 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 4.9 m -55.7 -32.68 63.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.173 179.026 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 36' ' ' SER . . . . . 0.484 ' O ' ' CG ' ' C' ' 39' ' ' ARG . 1.4 m -66.69 -48.29 69.77 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.528 179.458 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 37' ' ' ILE . . . . . 0.804 HD11 HD12 ' C' ' 25' ' ' LEU . 54.0 mt -58.21 -40.04 75.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 179.208 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -58.81 -52.61 64.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.611 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 39' ' ' ARG . . . . . 0.764 ' HG3' ' HB1' ' D' ' 88' ' ' ALA . 1.9 ptp180 -55.68 -35.75 66.37 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.053 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 40' ' ' VAL . . . . . 0.546 HG12 ' CD2' ' C' ' 44' ' ' PHE . 89.8 t -68.82 -33.0 57.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.883 178.655 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 41' ' ' ILE . . . . . 0.785 HD12 ' O ' ' C' ' 15' ' ' LEU . 9.7 mm -69.67 -58.26 6.05 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.136 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 179.449 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 18.9 p -56.57 -47.56 79.27 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-O 121.07 0.462 . . . . 0.0 110.377 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 43' ' ' ILE . . . . . 0.725 HG23 ' CE2' ' D' ' 129' ' ' TYR . 16.8 mt -60.05 -32.23 49.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.948 179.086 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 44' ' ' PHE . . . . . 0.754 ' HB3' HD22 ' C' ' 15' ' ' LEU . 0.3 OUTLIER -72.59 -57.29 4.26 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.77 179.704 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 45' ' ' GLN . . . . . 0.447 ' HG2' ' O ' ' C' ' 41' ' ' ILE . 19.0 pt20 -74.4 -3.28 29.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 112.116 -178.725 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 46' ' ' SER . . . . . 0.4 ' OG ' ' CE1' ' D' ' 129' ' ' TYR . 6.3 t -54.71 126.47 24.12 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.799 0.333 . . . . 0.0 110.678 179.809 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 47' ' ' ASN . . . . . 0.459 ' ND2' ' HA ' ' B' ' 136' ' ' SER . 5.0 p-10 -53.87 -24.73 16.9 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.601 -179.553 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 48' ' ' LEU . . . . . 0.636 HD13 ' O ' ' C' ' 48' ' ' LEU . 0.3 OUTLIER -76.14 -49.21 17.96 Favored 'General case' 0 CA--C 1.519 -0.225 0 N-CA-C 109.252 -0.648 . . . . 0.0 109.252 179.173 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 49' ' ' PHE . . . . . 0.957 ' CE2' HD11 ' C' ' 53' ' ' ILE . 85.6 t80 -52.71 -41.78 64.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.37 179.45 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 50' ' ' GLN . . . . . 0.469 ' OE1' ' CA ' ' C' ' 50' ' ' GLN . 0.0 OUTLIER -59.68 -44.91 93.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.462 179.352 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 51' ' ' ALA . . . . . 0.561 ' HB1' ' HA ' ' B' ' 132' ' ' ILE . . . -59.18 -48.03 83.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.945 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 52' ' ' LEU . . . . . 0.687 HD13 ' O ' ' D' ' 125' ' ' LEU . 2.1 mt -59.12 -45.88 89.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.903 0.383 . . . . 0.0 110.53 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 53' ' ' ILE . . . . . 0.957 HD11 ' CE2' ' C' ' 49' ' ' PHE . 50.2 mt -53.61 -42.39 50.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.517 179.624 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -63.27 -39.13 93.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.385 179.646 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 55' ' ' ILE . . . . . 0.745 HG22 ' HB2' ' C' ' 59' ' ' TYR . 67.8 mt -60.37 -34.17 56.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.681 179.761 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 56' ' ' GLN . . . . . 0.454 ' NE2' HD21 ' D' ' 125' ' ' LEU . 0.0 OUTLIER -53.19 -21.76 5.63 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.764 -179.81 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 57' ' ' GLU . . . . . 0.405 ' O ' ' CD1' ' C' ' 58' ' ' PHE . 41.5 mt-10 -45.08 -43.03 9.22 Favored 'General case' 0 N--CA 1.462 0.159 0 N-CA-C 111.692 0.256 . . . . 0.0 111.692 -179.666 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 58' ' ' PHE . . . . . 0.415 ' CG ' ' HB2' ' A' ' 65' ' ' ASP . 83.1 m-85 -155.69 38.73 0.38 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.822 0.304 . . . . 0.0 111.822 -179.59 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 59' ' ' TYR . . . . . 0.939 ' CD2' HD21 ' B' ' 128' ' ' LEU . 59.7 m-85 -136.07 79.7 1.78 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.874 179.609 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.16 87.9 0.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.948 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 61' ' ' VAL . . . . . 0.64 HG23 HG21 ' D' ' 124' ' ' THR . 0.0 OUTLIER -73.26 98.77 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 120.924 0.393 . . . . 0.0 111.126 179.858 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 62' ' ' THR . . . . . . . . . . . . . 3.7 m -80.97 122.36 27.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.527 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 63' ' ' LEU . . . . . 0.481 HD11 ' OH ' ' A' ' 59' ' ' TYR . 0.1 OUTLIER -93.01 130.03 38.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.895 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 64' ' ' LEU . . . . . 0.703 ' N ' HD23 ' C' ' 64' ' ' LEU . 0.1 OUTLIER -115.81 -27.05 7.15 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.086 -179.604 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 65' ' ' ASP . . . . . 0.431 ' HB2' ' CG ' ' A' ' 58' ' ' PHE . 31.7 t70 -59.04 -20.59 54.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.836 0.35 . . . . 0.0 110.939 179.631 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 66' ' ' ASN . . . . . . . . . . . . . 17.8 p-10 . . . . . 0 C--N 1.332 -0.187 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.147 -179.914 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.414 0 N-CA-C 109.913 -1.275 . . . . 0.0 109.913 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 82' ' ' LEU . . . . . 0.668 HD12 ' HB3' ' D' ' 130' ' ' ASP . 9.3 tt -92.36 -27.24 17.65 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 114.444 -0.878 . . . . 0.0 109.878 178.85 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 83' ' ' LEU . . . . . 0.958 HD23 ' H ' ' D' ' 84' ' ' ALA . 0.7 OUTLIER -66.51 -40.18 89.07 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.604 179.911 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' D' D ' 84' ' ' ALA . . . . . 1.108 ' HB1' ' HB2' ' D' ' 88' ' ' ALA . . . -80.27 -17.84 51.05 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.617 -178.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 85' ' ' ALA . . . . . 0.857 ' HB1' ' HB3' ' D' ' 126' ' ' LEU . . . -51.68 -25.68 7.73 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 179.085 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 86' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -124.84 -37.81 2.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.023 178.521 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 87' ' ' ARG . . . . . 0.632 ' HB3' ' O ' ' D' ' 83' ' ' LEU . 33.0 ttt180 -68.37 -37.73 80.72 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.969 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 88' ' ' ALA . . . . . 1.108 ' HB2' ' HB1' ' D' ' 84' ' ' ALA . . . -72.15 -39.96 68.38 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.245 -179.296 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 89' ' ' VAL . . . . . 0.821 HG12 ' HB3' ' D' ' 117' ' ' PHE . 21.5 t -76.97 -35.2 23.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.871 179.586 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 8.3 t -74.96 -43.26 55.1 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.169 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 91' ' ' GLN . . . . . 0.412 ' CG ' ' N ' ' D' ' 92' ' ' VAL . 6.9 pt20 -64.56 -49.97 69.12 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.056 0.455 . . . . 0.0 109.782 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 92' ' ' VAL . . . . . 0.554 HG23 ' O ' ' D' ' 88' ' ' ALA . 62.4 t -64.28 -27.67 43.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 177.825 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 93' ' ' LEU . . . . . 0.72 HD21 ' HA ' ' D' ' 114' ' ' HIS . 1.0 OUTLIER -58.22 -47.45 83.45 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.129 179.141 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.01 -24.41 52.15 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.196 -179.655 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 95' ' ' SER . . . . . 0.81 ' HB3' HD21 ' C' ' 33' ' ' LEU . 4.8 m -79.31 -29.69 42.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.758 -179.483 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 96' ' ' LEU . . . . . 0.924 HD22 HD22 ' D' ' 110' ' ' LEU . 0.2 OUTLIER -37.64 -52.49 1.23 Allowed 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 112.528 0.566 . . . . 0.0 112.528 -179.294 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -66.09 -30.52 71.05 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.959 0.409 . . . . 0.0 111.187 -179.173 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 98' ' ' GLU . . . . . 0.808 ' OE2' HD21 ' D' ' 102' ' ' LEU . 0.0 OUTLIER -70.02 -34.95 73.95 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 177.62 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' D' D ' 99' ' ' ILE . . . . . 0.565 ' O ' HG23 ' D' ' 103' ' ' THR . 6.6 mt -59.32 -49.35 83.81 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.644 0 CA-C-N 114.386 -1.279 . . . . 0.0 110.031 178.433 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 100' ' ' HIS . . . . . 0.841 ' HB2' HD11 ' D' ' 110' ' ' LEU . 0.2 OUTLIER -58.03 -35.08 70.78 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 178.464 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' D' D ' 101' ' ' ALA . . . . . 0.782 ' HB3' ' O ' ' D' ' 98' ' ' GLU . . . -55.36 -43.25 74.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.676 -1.147 . . . . 0.0 111.874 179.408 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 102' ' ' LEU . . . . . 0.808 HD21 ' OE2' ' D' ' 98' ' ' GLU . 0.4 OUTLIER -119.66 31.67 6.45 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.622 -0.717 . . . . 0.0 112.804 -177.452 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' D' D ' 103' ' ' THR . . . . . 0.674 HG23 HD12 ' D' ' 102' ' ' LEU . 35.4 p -146.89 -34.29 0.27 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.709 0.29 . . . . 0.0 111.572 179.713 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 1.7 t0 70.75 28.01 3.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.892 0.377 . . . . 0.0 110.326 -179.478 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 105' ' ' SER . . . . . . . . . . . . . 3.7 m -54.32 -77.61 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.773 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 106' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 167.55 105.36 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.487 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -47.31 -32.32 4.62 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.91 0.386 . . . . 0.0 110.596 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -66.93 -44.42 80.72 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 178.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 109' ' ' ASP . . . . . 0.733 ' O ' HD12 ' D' ' 113' ' ' LEU . 55.7 m-20 -66.23 -35.2 79.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.706 178.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 110' ' ' LEU . . . . . 0.924 HD22 HD22 ' D' ' 96' ' ' LEU . 17.1 mt -63.08 -44.53 95.52 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.998 179.268 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 111' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -60.34 -42.1 94.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.608 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 112' ' ' PHE . . . . . 0.754 ' O ' HG23 ' D' ' 116' ' ' VAL . 1.3 t80 -58.83 -43.25 90.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.344 179.45 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 113' ' ' LEU . . . . . 0.733 HD12 ' O ' ' D' ' 109' ' ' ASP . 0.5 OUTLIER -72.82 -32.71 65.7 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.707 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' D' D ' 114' ' ' HIS . . . . . 0.72 ' HA ' HD21 ' D' ' 93' ' ' LEU . 35.1 m170 -60.24 -37.9 81.79 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 178.347 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 115' ' ' SER . . . . . . . . . . . . . 70.1 m -73.37 -37.71 65.95 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 178.75 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 116' ' ' VAL . . . . . 0.902 HG11 ' CB ' ' C' ' 14' ' ' ALA . 55.1 t -60.05 -23.07 26.04 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 CA-C-N 115.165 -0.925 . . . . 0.0 109.711 178.293 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 117' ' ' PHE . . . . . 0.821 ' HB3' HG12 ' D' ' 89' ' ' VAL . 6.7 m-30 -107.37 -25.18 11.56 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.69 -179.503 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 118' ' ' GLN . . . . . 0.419 ' HB2' ' O ' ' D' ' 114' ' ' HIS . 0.0 OUTLIER -67.43 -37.81 83.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.698 0.285 . . . . 0.0 111.588 -179.029 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -42.71 111.71 0.28 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.749 -179.262 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 120' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -56.51 -40.19 74.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.422 179.702 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 121' ' ' HIS . . . . . . . . . . . . . 20.4 m170 -56.16 -34.01 65.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.195 179.318 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 122' ' ' LEU . . . . . 0.906 HD12 HD12 ' D' ' 125' ' ' LEU . 36.4 tp -56.03 -48.99 74.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.297 179.667 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 123' ' ' HIS . . . . . 0.99 ' HA ' HD12 ' D' ' 126' ' ' LEU . 40.5 m170 -54.64 -24.42 21.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.092 179.042 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 124' ' ' THR . . . . . 0.64 HG21 HG23 ' C' ' 61' ' ' VAL . 1.7 m -75.52 -39.04 58.92 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 178.775 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 125' ' ' LEU . . . . . 0.906 HD12 HD12 ' D' ' 122' ' ' LEU . 4.7 mt -69.45 -33.63 73.2 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.647 178.668 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 126' ' ' LEU . . . . . 0.99 HD12 ' HA ' ' D' ' 123' ' ' HIS . 3.9 mt -73.6 -49.85 24.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.07 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 127' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -60.79 -43.0 98.67 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.709 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 128' ' ' LEU . . . . . 0.933 HD21 ' CD2' ' A' ' 59' ' ' TYR . 19.1 mt -74.24 -29.7 61.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.204 179.309 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 129' ' ' TYR . . . . . 0.725 ' CE2' HG23 ' C' ' 43' ' ' ILE . 0.3 OUTLIER -56.39 -52.1 65.87 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.861 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' D' D ' 130' ' ' ASP . . . . . 0.668 ' HB3' HD12 ' D' ' 82' ' ' LEU . 0.1 OUTLIER -76.47 -35.48 58.41 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.787 0.327 . . . . 0.0 111.234 179.926 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' D' D ' 131' ' ' LYS . . . . . . . . . . . . . 1.2 mtpp -55.04 -51.0 67.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.099 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 132' ' ' ILE . . . . . 0.421 HD12 ' O ' ' D' ' 128' ' ' LEU . 5.0 mt -74.2 -38.38 48.02 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 CA-C-O 120.995 0.426 . . . . 0.0 110.708 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 133' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -58.98 -26.02 64.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.889 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 134' ' ' THR . . . . . . . . . . . . . 97.7 m -90.23 -55.04 3.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.079 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 135' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -63.03 -20.06 64.96 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.269 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 136' ' ' SER . . . . . . . . . . . . . 59.3 p . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 120.795 0.331 . . . . 0.0 111.096 179.954 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.455 -0.201 0 N-CA-C 110.081 -0.341 . . . . 0.0 110.081 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.48 -38.43 89.83 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 121.098 0.475 . . . . 0.0 109.783 179.169 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 17.2 mm100 -74.77 -29.05 61.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.094 179.057 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.423 ' O ' ' HB2' ' A' ' 14' ' ' ALA . 63.2 m-20 -80.43 -30.34 37.65 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.708 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.7 p -75.47 -36.09 60.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.264 179.562 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -71.99 -44.9 62.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.096 179.338 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.5 ttt180 -70.13 -24.65 63.22 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.023 178.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.952 ' CB ' HG11 ' B' ' 116' ' ' VAL . . . -78.41 -53.99 6.66 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.857 179.073 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.914 ' HA ' HD12 ' A' ' 18' ' ' LEU . 0.4 OUTLIER -66.09 -25.53 67.06 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.696 179.54 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.416 ' O ' ' HG3' ' A' ' 19' ' ' GLU . 0.7 OUTLIER -73.12 -44.38 60.32 Favored 'General case' 0 CA--C 1.518 -0.261 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 178.878 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.894 HD22 ' CE1' ' A' ' 21' ' ' TYR . 5.4 mt -64.36 -29.01 70.09 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.558 178.423 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.914 HD12 ' HA ' ' A' ' 15' ' ' LEU . 45.0 mt -66.2 -50.3 64.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.909 179.767 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.462 ' HG3' ' N ' ' A' ' 20' ' ' GLU . 0.3 OUTLIER -61.26 -36.52 80.25 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.707 -179.803 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.462 ' N ' ' HG3' ' A' ' 19' ' ' GLU . 74.2 mm-40 -74.86 -36.1 62.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.872 179.25 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.894 ' CE1' HD22 ' A' ' 17' ' ' LEU . 9.8 m-30 -66.16 -47.14 75.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.365 179.473 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.448 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 2.6 ptm180 -58.77 -43.52 90.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.799 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.431 ' N ' ' HG3' ' A' ' 22' ' ' ARG . 1.5 m -61.74 -35.11 77.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.466 179.604 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.646 ' O ' HG22 ' B' ' 103' ' ' THR . 8.5 ptmt -99.16 5.29 46.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.464 179.718 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.817 HD12 HD11 ' A' ' 37' ' ' ILE . 0.2 OUTLIER -98.53 -65.39 0.96 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.008 0.433 . . . . 0.0 110.676 -179.778 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.473 ' OG ' ' CG ' ' A' ' 34' ' ' ARG . 0.7 OUTLIER -60.6 -145.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.098 -179.479 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 47.3 27.4 0.87 Allowed 'General case' 0 N--CA 1.452 -0.367 0 CA-C-O 120.836 0.35 . . . . 0.0 110.593 -179.608 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.573 HG23 ' N ' ' A' ' 29' ' ' GLU . 14.7 t -150.85 -55.47 0.15 Allowed 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.42 -179.686 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.573 ' N ' HG23 ' A' ' 28' ' ' THR . 14.1 pt-20 -177.31 27.78 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.732 -179.352 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -143.08 48.07 1.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.03 0.443 . . . . 0.0 111.266 -179.742 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.8 -51.0 71.63 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.249 0.547 . . . . 0.0 110.049 179.433 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -56.25 -46.04 79.78 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.896 179.075 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.693 HD21 ' HB2' ' B' ' 95' ' ' SER . 6.2 tp -53.87 -33.79 57.46 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.871 179.081 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.473 ' CG ' ' OG ' ' A' ' 26' ' ' SER . 6.6 ttp180 -61.63 -46.83 88.14 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 178.604 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.554 ' HA ' ' CG ' ' A' ' 38' ' ' GLU . 0.3 OUTLIER -57.39 -30.46 64.92 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.965 179.669 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.649 ' HB3' ' NE2' ' B' ' 91' ' ' GLN . 0.1 OUTLIER -75.89 -46.6 29.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.114 0.483 . . . . 0.0 110.411 179.67 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.817 HD11 HD12 ' A' ' 25' ' ' LEU . 56.1 mt -63.47 -40.55 89.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.908 179.501 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.573 ' HA ' HG12 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -69.8 -38.43 76.62 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.089 -0.505 . . . . 0.0 112.338 -178.954 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.561 ' HG2' ' O ' ' A' ' 36' ' ' SER . 6.1 ptp180 -62.1 -38.92 90.69 Favored 'General case' 0 CA--C 1.519 -0.241 0 C-N-CA 119.955 -0.698 . . . . 0.0 109.499 179.782 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.554 HG12 ' CD1' ' A' ' 44' ' ' PHE . 94.9 t -60.94 -44.31 97.74 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 177.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.714 HD11 ' HB3' ' A' ' 18' ' ' LEU . 11.3 mm -50.79 -57.52 2.63 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.577 179.527 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.4 t -56.28 -46.12 79.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.944 0.402 . . . . 0.0 110.795 -179.063 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.955 HG23 ' CE2' ' B' ' 129' ' ' TYR . 9.2 mt -59.83 -34.59 56.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.864 179.055 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.892 ' HB3' HD22 ' A' ' 15' ' ' LEU . 2.5 m-85 -72.53 -57.13 4.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.503 179.477 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.597 ' OE1' HG22 ' A' ' 41' ' ' ILE . 45.7 mt-30 -62.7 -26.44 68.67 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.985 -178.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.496 ' CB ' ' CE1' ' B' ' 129' ' ' TYR . 0.2 OUTLIER -37.62 127.41 1.14 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.981 0.419 . . . . 0.0 111.774 -179.331 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -54.4 -24.86 21.53 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.504 -179.709 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.818 HD12 ' HA ' ' B' ' 129' ' ' TYR . 0.4 OUTLIER -79.15 -47.38 16.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.828 0.347 . . . . 0.0 110.243 179.766 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.66 ' CE2' HD11 ' A' ' 53' ' ' ILE . 88.1 t80 -50.44 -51.49 46.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.029 -179.399 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 49.6 mm-40 -59.03 -34.22 71.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.026 0.441 . . . . 0.0 110.398 179.379 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' A' ' 48' ' ' LEU . . . -59.43 -47.28 86.09 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.533 179.55 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.707 HD13 ' O ' ' B' ' 125' ' ' LEU . 0.3 OUTLIER -60.35 -44.6 95.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.242 179.489 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.66 HD11 ' CE2' ' A' ' 49' ' ' PHE . 10.8 mt -54.7 -37.37 39.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.46 179.432 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -67.52 -39.27 85.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.259 179.34 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.828 HG22 ' HB2' ' A' ' 59' ' ' TYR . 66.6 mt -62.82 -35.08 69.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.726 179.602 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.476 ' HG3' HD21 ' B' ' 125' ' ' LEU . 0.9 OUTLIER -54.66 -21.06 9.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.765 -179.721 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.429 ' O ' ' CD1' ' A' ' 58' ' ' PHE . 37.2 mt-10 -46.97 -36.83 8.17 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 120.572 0.225 . . . . 0.0 111.265 -179.784 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.45 ' CG ' ' HB2' ' C' ' 65' ' ' ASP . 18.9 m-85 -156.75 35.14 0.3 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.614 -179.786 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.83 ' CD2' HD21 ' D' ' 128' ' ' LEU . 26.7 m-85 -139.86 94.17 2.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.826 179.615 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -84.91 99.01 10.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.784 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.636 HG13 HG12 ' C' ' 61' ' ' VAL . 0.0 OUTLIER -77.55 98.72 2.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.132 179.94 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 28.8 m -75.28 128.63 35.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.368 179.67 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.856 HD11 ' CE2' ' C' ' 59' ' ' TYR . 0.9 OUTLIER -97.21 120.53 37.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.974 -179.867 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.682 HD23 ' N ' ' A' ' 64' ' ' LEU . 0.1 OUTLIER -111.37 -17.44 13.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.857 179.691 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.466 ' HB2' ' CD1' ' C' ' 58' ' ' PHE . 6.9 t0 -166.79 -22.05 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.87 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.432 ' HA ' ' CE1' ' C' ' 59' ' ' TYR . 1.2 p-10 . . . . . 0 N--CA 1.463 0.218 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 81' ' ' GLY . . . . . 0.426 ' O ' ' HB2' ' B' ' 85' ' ' ALA . . . . . . . . 0 N--CA 1.445 -0.731 0 N-CA-C 111.409 -0.676 . . . . 0.0 111.409 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.873 HD23 ' N ' ' B' ' 82' ' ' LEU . 0.3 OUTLIER -87.78 -33.34 18.68 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.099 0.476 . . . . 0.0 110.468 179.658 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 83' ' ' LEU . . . . . 1.084 HD23 ' H ' ' B' ' 84' ' ' ALA . 0.0 OUTLIER -63.51 -55.13 26.46 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.14 -179.316 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 1.084 ' H ' HD23 ' B' ' 83' ' ' LEU . . . -71.19 -25.0 62.34 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.391 -179.309 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 85' ' ' ALA . . . . . 0.905 ' HB1' ' CB ' ' B' ' 126' ' ' LEU . . . -52.66 -28.04 19.89 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-O 121.113 0.483 . . . . 0.0 110.036 179.624 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -123.03 -44.09 2.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.902 178.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 87' ' ' ARG . . . . . 0.78 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 16.0 ttt180 -57.64 -50.42 73.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.935 178.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 88' ' ' ALA . . . . . 0.77 ' HB3' ' O ' ' B' ' 84' ' ' ALA . . . -58.04 -48.4 80.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.109 -0.951 . . . . 0.0 111.8 -179.394 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 89' ' ' VAL . . . . . 0.602 HG12 ' HB3' ' B' ' 117' ' ' PHE . 24.8 t -62.19 -30.21 48.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.223 -179.725 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 73.7 m -75.24 -30.46 60.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.287 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 91' ' ' GLN . . . . . 0.649 ' NE2' ' HB3' ' A' ' 36' ' ' SER . 0.8 OUTLIER -68.65 -54.0 19.02 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 179.519 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 92' ' ' VAL . . . . . 0.832 HG11 HD22 ' A' ' 18' ' ' LEU . 3.6 t -64.28 -27.94 43.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.766 178.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 93' ' ' LEU . . . . . 0.72 HD21 ' HA ' ' B' ' 114' ' ' HIS . 1.5 mt -63.63 -42.54 98.16 Favored 'General case' 0 N--CA 1.457 -0.084 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.48 179.688 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.37 -27.96 31.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.387 -179.409 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 95' ' ' SER . . . . . 0.693 ' HB2' HD21 ' A' ' 33' ' ' LEU . 4.5 p -80.05 -28.54 39.24 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -179.345 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 96' ' ' LEU . . . . . 0.803 HD22 HD22 ' B' ' 110' ' ' LEU . 0.2 OUTLIER -36.04 -51.12 0.72 Allowed 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 112.455 0.539 . . . . 0.0 112.455 -179.113 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -69.0 -31.65 70.64 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.034 -179.477 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 98' ' ' GLU . . . . . 0.812 ' O ' ' HB3' ' B' ' 101' ' ' ALA . 0.2 OUTLIER -68.73 -34.27 75.33 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.045 -1.095 . . . . 0.0 108.045 177.706 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 99' ' ' ILE . . . . . 0.666 HG23 HG21 ' B' ' 103' ' ' THR . 12.8 mt -61.99 -49.5 83.91 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.883 0 CA-C-N 114.352 -1.295 . . . . 0.0 109.984 178.493 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 100' ' ' HIS . . . . . 0.904 ' HB2' HD11 ' B' ' 110' ' ' LEU . 0.1 OUTLIER -56.37 -34.16 66.4 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 178.187 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 101' ' ' ALA . . . . . 0.812 ' HB3' ' O ' ' B' ' 98' ' ' GLU . . . -56.79 -45.03 82.42 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.416 -1.266 . . . . 0.0 111.786 179.403 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 102' ' ' LEU . . . . . 0.683 HD12 HG23 ' B' ' 103' ' ' THR . 0.4 OUTLIER -118.48 27.08 9.15 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.768 -177.329 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 103' ' ' THR . . . . . 0.683 HG23 HD12 ' B' ' 102' ' ' LEU . 31.8 p -141.57 -33.83 0.5 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.702 0.287 . . . . 0.0 111.365 179.521 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 68.42 28.42 6.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.958 0.408 . . . . 0.0 110.448 -179.608 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 6.0 m -53.74 -76.07 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.754 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 1.1 m 168.63 105.88 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.493 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -47.72 -34.9 8.89 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.911 0.386 . . . . 0.0 110.657 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 5.3 mmtt -65.91 -46.22 79.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.205 0.526 . . . . 0.0 109.711 178.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 109' ' ' ASP . . . . . 0.719 ' O ' HD12 ' B' ' 113' ' ' LEU . 62.9 m-20 -62.87 -36.99 85.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.836 178.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 110' ' ' LEU . . . . . 0.904 HD11 ' HB2' ' B' ' 100' ' ' HIS . 20.3 mt -60.93 -50.64 72.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.922 179.107 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.94 -43.07 66.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.873 179.732 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 112' ' ' PHE . . . . . 0.862 ' O ' HG23 ' B' ' 116' ' ' VAL . 1.9 t80 -62.03 -38.42 88.64 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.801 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 113' ' ' LEU . . . . . 0.719 HD12 ' O ' ' B' ' 109' ' ' ASP . 0.4 OUTLIER -75.51 -34.46 60.82 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.156 -179.768 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 114' ' ' HIS . . . . . 0.72 ' HA ' HD21 ' B' ' 93' ' ' LEU . 57.9 m80 -60.91 -37.11 81.11 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 178.591 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.81 -37.6 64.86 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 178.508 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 116' ' ' VAL . . . . . 0.952 HG11 ' CB ' ' A' ' 14' ' ' ALA . 47.5 t -59.05 -23.77 25.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.234 -0.894 . . . . 0.0 109.96 178.47 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 117' ' ' PHE . . . . . 0.625 ' HZ ' HD11 ' A' ' 18' ' ' LEU . 22.2 m-85 -105.06 -29.88 10.12 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.365 -179.782 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.43 -29.47 70.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.236 -179.595 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -46.34 131.56 10.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.45 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -72.77 -46.49 53.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.731 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -55.95 -34.71 65.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.694 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 122' ' ' LEU . . . . . 0.862 HD12 HD12 ' B' ' 125' ' ' LEU . 44.3 tp -56.35 -49.16 75.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.307 179.703 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 123' ' ' HIS . . . . . 0.943 ' HA ' HD12 ' B' ' 126' ' ' LEU . 46.3 m170 -53.07 -26.05 14.84 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.201 179.106 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 124' ' ' THR . . . . . 0.572 HG21 HG23 ' A' ' 61' ' ' VAL . 5.7 m -77.54 -34.67 53.8 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.042 179.298 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 125' ' ' LEU . . . . . 0.862 HD12 HD12 ' B' ' 122' ' ' LEU . 13.1 mt -65.98 -38.95 89.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.779 179.694 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 126' ' ' LEU . . . . . 0.943 HD12 ' HA ' ' B' ' 123' ' ' HIS . 0.3 OUTLIER -73.54 -46.46 47.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.431 -179.64 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -56.6 -51.48 68.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.995 0.426 . . . . 0.0 110.899 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 128' ' ' LEU . . . . . 0.803 HD21 ' CD2' ' C' ' 59' ' ' TYR . 9.9 mt -71.14 -29.04 64.73 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.331 179.495 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 129' ' ' TYR . . . . . 0.955 ' CE2' HG23 ' A' ' 43' ' ' ILE . 0.2 OUTLIER -55.19 -53.84 50.93 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.164 -179.239 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 130' ' ' ASP . . . . . 0.43 ' HB3' ' CD2' ' B' ' 82' ' ' LEU . 2.4 m-20 -77.65 -31.04 52.45 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.156 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 131' ' ' LYS . . . . . 0.674 ' HD2' HD13 ' B' ' 82' ' ' LEU . 0.3 OUTLIER -54.94 -52.02 64.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.877 179.876 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 132' ' ' ILE . . . . . 0.596 HD12 ' O ' ' B' ' 128' ' ' LEU . 3.0 mt -76.15 -39.13 35.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.636 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 133' ' ' ASN . . . . . . . . . . . . . 33.7 t30 -64.19 -28.6 69.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.92 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 134' ' ' THR . . . . . 0.65 HG22 ' O ' ' B' ' 134' ' ' THR . 61.6 m -95.51 23.01 6.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.289 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 47.03 26.68 0.64 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.592 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 -179.479 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 7' ' ' ARG . . . . . 0.4 ' NH1' ' HB2' ' C' ' 7' ' ' ARG . 12.2 ttm105 . . . . . 0 CA--C 1.521 -0.173 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.93 -42.6 94.53 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.005 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -73.84 -30.83 62.9 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.944 179.018 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.47 -29.72 52.81 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.367 179.442 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 11' ' ' THR . . . . . 0.438 HG21 ' CD1' ' C' ' 53' ' ' ILE . 1.9 p -71.4 -43.62 66.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.391 179.667 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 12' ' ' GLN . . . . . 0.434 ' HA ' HD23 ' C' ' 15' ' ' LEU . 0.7 OUTLIER -66.78 -42.65 85.67 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-O 120.919 0.39 . . . . 0.0 110.272 179.541 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 -67.81 -26.19 65.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.155 179.321 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 14' ' ' ALA . . . . . 0.693 ' CB ' HG11 ' D' ' 116' ' ' VAL . . . -78.64 -54.8 5.74 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.679 178.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 15' ' ' LEU . . . . . 0.83 HD22 ' HB3' ' C' ' 44' ' ' PHE . 0.3 OUTLIER -64.37 -27.14 68.81 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.612 179.227 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 16' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -70.94 -45.41 64.23 Favored 'General case' 0 C--O 1.234 0.268 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 178.196 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 17' ' ' LEU . . . . . 0.745 HD22 ' CE1' ' C' ' 21' ' ' TYR . 4.0 mt -63.73 -35.37 80.36 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.135 -0.938 . . . . 0.0 109.177 178.171 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 18' ' ' LEU . . . . . 1.012 HD22 HG23 ' C' ' 37' ' ' ILE . 13.2 mt -62.19 -42.25 99.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 114.966 -1.015 . . . . 0.0 110.752 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 19' ' ' GLU . . . . . 0.426 ' O ' ' HG2' ' C' ' 22' ' ' ARG . 20.7 mm-40 -62.4 -48.17 80.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.11 0.481 . . . . 0.0 110.942 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 20' ' ' GLU . . . . . 0.447 ' O ' ' HG3' ' C' ' 24' ' ' LYS . 6.1 mt-10 -70.86 -31.62 68.37 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.145 179.744 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 21' ' ' TYR . . . . . 0.745 ' CE1' HD22 ' C' ' 17' ' ' LEU . 8.4 m-30 -69.93 -46.16 65.95 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.818 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 22' ' ' ARG . . . . . 0.504 ' HB3' ' HB ' ' C' ' 37' ' ' ILE . 2.8 ptm180 -59.87 -39.81 86.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.87 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 23' ' ' SER . . . . . 0.45 ' N ' ' HG3' ' C' ' 22' ' ' ARG . 74.2 p -61.9 -46.23 90.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 24' ' ' LYS . . . . . 0.447 ' HG3' ' O ' ' C' ' 20' ' ' GLU . 45.7 mtpt -74.43 -31.46 62.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.312 0.577 . . . . 0.0 110.41 179.473 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 25' ' ' LEU . . . . . 1.024 HD11 ' HG ' ' C' ' 33' ' ' LEU . 0.3 OUTLIER -56.78 -73.66 0.06 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.168 -0.924 . . . . 0.0 111.726 -179.445 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 26' ' ' SER . . . . . 0.505 ' HB3' ' HB3' ' C' ' 34' ' ' ARG . 24.4 p -58.92 -157.83 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.295 -179.138 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 27' ' ' GLN . . . . . 0.419 ' OE1' ' NH1' ' C' ' 31' ' ' ARG . 2.8 mp0 59.01 24.21 12.42 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.504 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 28' ' ' THR . . . . . 0.674 HG23 ' H ' ' C' ' 29' ' ' GLU . 6.8 t -148.74 -60.24 0.23 Allowed 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 121.088 0.471 . . . . 0.0 111.702 -179.017 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 29' ' ' GLU . . . . . 0.674 ' H ' HG23 ' C' ' 28' ' ' THR . 12.7 pt-20 -175.33 27.99 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.394 -179.102 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 30' ' ' ASP . . . . . 0.463 ' HB3' ' HB3' ' C' ' 33' ' ' LEU . 1.6 m-20 -152.29 56.84 0.83 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.159 0.504 . . . . 0.0 110.726 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 31' ' ' ARG . . . . . 0.518 ' O ' ' HG2' ' C' ' 34' ' ' ARG . 10.0 mmm180 -68.86 -43.17 75.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.405 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 21.6 tp60 -63.74 -34.14 77.22 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.178 0.513 . . . . 0.0 109.804 179.015 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 33' ' ' LEU . . . . . 1.024 ' HG ' HD11 ' C' ' 25' ' ' LEU . 0.1 OUTLIER -62.53 -48.96 77.25 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.639 179.625 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 34' ' ' ARG . . . . . 0.518 ' HG2' ' O ' ' C' ' 31' ' ' ARG . 0.7 OUTLIER -60.85 -31.87 71.29 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 179.094 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.15 -39.81 93.85 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.695 178.566 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 36' ' ' SER . . . . . 0.509 ' O ' ' HG2' ' C' ' 39' ' ' ARG . 2.1 m -62.4 -43.6 98.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.539 0.685 . . . . 0.0 109.835 178.814 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 37' ' ' ILE . . . . . 1.012 HG23 HD22 ' C' ' 18' ' ' LEU . 65.7 mt -60.97 -37.2 76.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.744 179.119 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -60.92 -51.77 67.87 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.525 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 39' ' ' ARG . . . . . 0.723 ' HG3' ' HB1' ' D' ' 88' ' ' ALA . 2.6 ptp180 -55.1 -37.8 67.3 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 40' ' ' VAL . . . . . 0.429 HG11 HD11 ' C' ' 18' ' ' LEU . 89.5 t -64.83 -33.64 64.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.757 178.395 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 41' ' ' ILE . . . . . 0.779 HD11 ' HB3' ' C' ' 18' ' ' LEU . 25.6 mm -65.22 -59.62 3.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 179.396 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 23.9 t -55.6 -44.03 76.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.925 0.393 . . . . 0.0 110.653 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 43' ' ' ILE . . . . . 0.556 HD13 ' HA ' ' D' ' 85' ' ' ALA . 13.7 mt -59.84 -35.83 62.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.803 179.239 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 44' ' ' PHE . . . . . 0.83 ' HB3' HD22 ' C' ' 15' ' ' LEU . 2.6 m-85 -73.12 -58.48 3.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.303 178.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 45' ' ' GLN . . . . . 0.656 ' OE1' HG22 ' C' ' 41' ' ' ILE . 41.4 mt-30 -63.03 -21.68 66.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.72 -179.205 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 46' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -39.76 149.44 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.953 0.406 . . . . 0.0 111.814 -179.269 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -72.79 -28.4 62.56 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.388 -179.464 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 48' ' ' LEU . . . . . 0.745 HD21 ' HB ' ' D' ' 132' ' ' ILE . 0.4 OUTLIER -79.2 -47.46 15.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.02 0.438 . . . . 0.0 110.212 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 49' ' ' PHE . . . . . 0.899 ' CE2' HD11 ' C' ' 53' ' ' ILE . 85.0 t80 -51.22 -55.71 16.65 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.297 -179.539 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 -54.75 -41.9 70.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.996 0.427 . . . . 0.0 110.485 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 51' ' ' ALA . . . . . 0.409 ' O ' HG12 ' C' ' 55' ' ' ILE . . . -58.76 -49.18 78.62 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.603 179.576 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 52' ' ' LEU . . . . . 0.737 HD12 ' CD1' ' C' ' 48' ' ' LEU . 0.5 OUTLIER -57.95 -45.64 86.31 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.39 179.388 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 53' ' ' ILE . . . . . 0.899 HD11 ' CE2' ' C' ' 49' ' ' PHE . 35.6 mt -51.16 -40.09 21.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 121.081 0.467 . . . . 0.0 110.087 178.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -66.88 -34.34 77.58 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.249 179.193 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 55' ' ' ILE . . . . . 0.72 HG22 ' HB2' ' C' ' 59' ' ' TYR . 37.3 mm -56.0 -40.83 65.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.852 179.678 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 56' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -52.71 -20.75 3.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.648 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 57' ' ' GLU . . . . . 0.404 ' O ' ' CG ' ' C' ' 58' ' ' PHE . 2.4 mm-40 -42.96 -46.61 5.49 Favored 'General case' 0 N--CA 1.462 0.169 0 N-CA-C 111.712 0.264 . . . . 0.0 111.712 -179.777 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 58' ' ' PHE . . . . . 0.466 ' CD1' ' HB2' ' A' ' 65' ' ' ASP . 90.3 m-85 -157.57 27.58 0.28 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.762 0.315 . . . . 0.0 111.645 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 59' ' ' TYR . . . . . 0.856 ' CE2' HD11 ' A' ' 63' ' ' LEU . 42.0 m-85 -126.27 75.42 1.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.248 179.43 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.93 96.21 0.13 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.813 0.34 . . . . 0.0 111.067 -179.557 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 61' ' ' VAL . . . . . 0.636 HG12 HG13 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -72.93 98.96 0.94 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.188 0 CA-C-O 120.8 0.333 . . . . 0.0 110.906 179.695 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 62' ' ' THR . . . . . . . . . . . . . 22.3 m -83.66 117.03 22.92 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.65 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 63' ' ' LEU . . . . . 0.498 ' C ' HD23 ' C' ' 64' ' ' LEU . 0.1 OUTLIER -89.93 129.62 36.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.786 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 64' ' ' LEU . . . . . 0.874 ' N ' HD23 ' C' ' 64' ' ' LEU . 0.0 OUTLIER -108.17 -29.75 8.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.472 -179.805 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 65' ' ' ASP . . . . . 0.45 ' HB2' ' CG ' ' A' ' 58' ' ' PHE . 0.1 OUTLIER -149.38 -85.22 0.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.067 179.898 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 66' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 . . . . . 0 C--N 1.332 -0.179 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.023 179.95 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 81' ' ' GLY . . . . . 0.403 ' O ' ' HB2' ' D' ' 85' ' ' ALA . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 111.598 -0.601 . . . . 0.0 111.598 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 82' ' ' LEU . . . . . 0.492 ' O ' HD23 ' D' ' 82' ' ' LEU . 6.7 tt -103.53 -25.84 13.06 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 122.671 0.389 . . . . 0.0 111.35 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 83' ' ' LEU . . . . . 0.931 HD23 ' H ' ' D' ' 84' ' ' ALA . 0.0 OUTLIER -79.09 -50.93 10.26 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.998 -178.924 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' D' D ' 84' ' ' ALA . . . . . 0.963 ' HB1' ' HB2' ' D' ' 88' ' ' ALA . . . -74.51 -23.26 58.81 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.297 -179.459 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 85' ' ' ALA . . . . . 0.899 ' HB1' ' HB3' ' D' ' 126' ' ' LEU . . . -51.99 -25.71 8.97 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.529 -0.468 . . . . 0.0 109.875 179.316 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 86' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -124.33 -35.36 2.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.141 178.603 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 87' ' ' ARG . . . . . 0.704 ' HB3' ' O ' ' D' ' 83' ' ' LEU . 17.0 ttt180 -71.92 -38.83 69.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.703 179.655 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 88' ' ' ALA . . . . . 0.963 ' HB2' ' HB1' ' D' ' 84' ' ' ALA . . . -73.41 -36.88 66.07 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.037 -179.552 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 89' ' ' VAL . . . . . 0.774 HG13 ' CD1' ' D' ' 117' ' ' PHE . 45.8 t -76.27 -37.56 32.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.721 179.635 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 38.4 m -76.22 -40.57 51.82 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.439 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 91' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -66.25 -46.52 76.83 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 121.125 0.488 . . . . 0.0 109.871 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 92' ' ' VAL . . . . . 0.606 HG23 ' O ' ' D' ' 88' ' ' ALA . 60.0 t -68.62 -27.76 37.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.394 178.008 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 93' ' ' LEU . . . . . 0.699 HD21 ' HA ' ' D' ' 114' ' ' HIS . 1.7 mt -62.12 -41.18 97.99 Favored 'General case' 0 C--O 1.231 0.089 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.297 179.733 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.19 -29.84 34.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.225 -179.625 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 95' ' ' SER . . . . . 0.805 ' HB3' HD21 ' C' ' 33' ' ' LEU . 20.0 m -79.9 -24.58 41.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.289 -0.414 . . . . 0.0 112.067 -179.344 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 96' ' ' LEU . . . . . 0.696 HD22 HD22 ' D' ' 110' ' ' LEU . 0.2 OUTLIER -38.75 -49.84 1.62 Allowed 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -179.331 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -64.83 -32.05 73.56 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.564 -179.188 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 98' ' ' GLU . . . . . 0.803 ' O ' ' HB3' ' D' ' 101' ' ' ALA . 0.1 OUTLIER -69.05 -35.96 77.17 Favored 'General case' 0 C--O 1.237 0.405 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 178.018 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' D' D ' 99' ' ' ILE . . . . . 0.905 HD13 HD11 ' C' ' 37' ' ' ILE . 20.3 mt -60.2 -48.52 87.78 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.883 0 CA-C-N 114.283 -1.326 . . . . 0.0 110.254 178.76 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 100' ' ' HIS . . . . . 0.743 ' HB2' HD11 ' D' ' 110' ' ' LEU . 0.2 OUTLIER -57.64 -35.7 70.86 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 178.215 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' D' D ' 101' ' ' ALA . . . . . 0.803 ' HB3' ' O ' ' D' ' 98' ' ' GLU . . . -53.66 -43.05 68.5 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 114.662 -1.154 . . . . 0.0 111.406 179.156 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 102' ' ' LEU . . . . . 0.79 HD21 ' OE2' ' D' ' 98' ' ' GLU . 0.3 OUTLIER -118.04 22.23 12.34 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -177.679 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' D' D ' 103' ' ' THR . . . . . 0.619 HG23 HD12 ' D' ' 102' ' ' LEU . 42.7 p -140.47 -10.49 1.07 Allowed 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 55.23 23.73 5.73 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.917 0.389 . . . . 0.0 110.759 -179.397 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 105' ' ' SER . . . . . 0.496 ' HB3' ' CE1' ' C' ' 21' ' ' TYR . 0.2 OUTLIER -58.92 -19.58 43.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.161 179.77 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' D' D ' 106' ' ' SER . . . . . 0.413 ' CB ' ' O ' ' D' ' 105' ' ' SER . 4.3 t 81.1 121.09 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.465 -179.593 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -53.15 -23.75 9.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.289 -179.59 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 1.4 mmtp -60.54 -55.61 31.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.133 0.492 . . . . 0.0 110.162 179.579 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 109' ' ' ASP . . . . . 0.63 ' O ' HD12 ' D' ' 113' ' ' LEU . 7.4 m-20 -62.27 -36.71 82.92 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.552 178.838 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 110' ' ' LEU . . . . . 0.743 HD11 ' HB2' ' D' ' 100' ' ' HIS . 19.1 mt -60.93 -45.54 94.3 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.779 178.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 111' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -54.64 -45.93 73.84 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.686 179.693 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 112' ' ' PHE . . . . . 0.43 ' O ' HG23 ' D' ' 116' ' ' VAL . 0.6 OUTLIER -60.13 -38.94 84.57 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.668 179.751 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' D' D ' 113' ' ' LEU . . . . . 0.71 HD11 HD12 ' C' ' 17' ' ' LEU . 0.4 OUTLIER -76.24 -34.94 59.2 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.179 -179.742 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' D' D ' 114' ' ' HIS . . . . . 0.699 ' HA ' HD21 ' D' ' 93' ' ' LEU . 49.6 m80 -59.93 -34.77 73.67 Favored 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 178.185 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 115' ' ' SER . . . . . . . . . . . . . 3.7 t -74.24 -38.32 63.54 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 178.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 116' ' ' VAL . . . . . 0.851 ' O ' HD22 ' D' ' 122' ' ' LEU . 14.0 t -59.41 -23.83 26.44 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.73 178.511 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 117' ' ' PHE . . . . . 0.774 ' CD1' HG13 ' D' ' 89' ' ' VAL . 24.2 m-85 -103.42 -30.36 10.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.157 -179.711 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 118' ' ' GLN . . . . . 0.421 ' NE2' ' O ' ' D' ' 114' ' ' HIS . 0.0 OUTLIER -65.26 -30.14 70.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.028 -179.607 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -45.43 113.04 0.52 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.47 -179.575 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 120' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -58.17 -35.48 71.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.696 179.793 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 121' ' ' HIS . . . . . 0.4 ' O ' ' HG ' ' D' ' 125' ' ' LEU . 16.0 m80 -62.84 -35.54 80.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.647 179.699 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 122' ' ' LEU . . . . . 0.851 HD22 ' O ' ' D' ' 116' ' ' VAL . 44.3 tp -56.52 -49.1 75.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.641 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 123' ' ' HIS . . . . . 1.005 ' HA ' HD12 ' D' ' 126' ' ' LEU . 11.7 m170 -55.38 -23.83 26.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.249 179.159 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 124' ' ' THR . . . . . 0.588 HG21 HG23 ' C' ' 61' ' ' VAL . 2.3 m -76.31 -38.72 55.65 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 178.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 125' ' ' LEU . . . . . 0.82 HD12 HD12 ' D' ' 122' ' ' LEU . 2.8 mt -70.79 -28.64 64.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.748 178.568 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 126' ' ' LEU . . . . . 1.005 HD12 ' HA ' ' D' ' 123' ' ' HIS . 11.5 mt -73.6 -50.76 19.58 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.648 -179.483 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 127' ' ' ASP . . . . . 0.424 ' OD2' ' HA ' ' D' ' 124' ' ' THR . 1.3 p30 -64.86 -38.89 92.49 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 179.087 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 128' ' ' LEU . . . . . 0.83 HD21 ' CD2' ' A' ' 59' ' ' TYR . 44.2 mt -73.65 -29.7 62.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.855 178.522 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 129' ' ' TYR . . . . . 0.743 ' HA ' HD12 ' C' ' 48' ' ' LEU . 7.8 t80 -55.7 -52.34 64.22 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.579 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 130' ' ' ASP . . . . . 0.429 ' CG ' ' HB2' ' D' ' 82' ' ' LEU . 11.4 t70 -76.98 -31.26 56.39 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.691 -0.404 . . . . 0.0 111.323 179.514 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.44 -50.45 67.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.038 -179.522 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 132' ' ' ILE . . . . . 0.745 ' HB ' HD21 ' C' ' 48' ' ' LEU . 5.0 mt -78.77 -38.66 21.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.827 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 133' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -63.42 -27.04 69.02 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.119 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 134' ' ' THR . . . . . . . . . . . . . 90.8 m -82.28 -45.92 14.34 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.143 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 135' ' ' LYS . . . . . . . . . . . . . 2.3 mmpt? -56.99 -35.35 69.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 136' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.784 179.644 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.825 ' O ' HG23 ' A' ' 11' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.209 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.54 -36.8 83.78 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 121.145 0.497 . . . . 0.0 109.832 179.047 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 17.3 mm100 -76.71 -28.65 55.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.219 179.199 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.698 ' HB3' HG22 ' B' ' 116' ' ' VAL . 5.5 m-20 -78.97 -32.62 45.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.446 179.662 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.825 HG23 ' O ' ' A' ' 7' ' ' ARG . 79.3 p -72.76 -41.36 65.17 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.426 179.539 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.412 ' HA ' HD23 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -69.55 -40.19 76.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.323 179.583 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.6 ttm180 -73.31 -24.63 60.42 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.074 179.157 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.806 ' CB ' HG11 ' B' ' 116' ' ' VAL . . . -78.6 -51.28 10.13 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.104 179.155 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.878 HD22 ' HB3' ' A' ' 44' ' ' PHE . 0.4 OUTLIER -67.76 -25.05 65.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.645 179.579 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.3 m170 -72.99 -45.85 55.56 Favored 'General case' 0 CA--C 1.518 -0.27 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 178.555 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.941 HD22 ' CE1' ' A' ' 21' ' ' TYR . 3.0 mt -63.35 -35.5 80.59 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.227 178.352 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.898 ' CD2' HG11 ' B' ' 92' ' ' VAL . 31.8 mt -63.36 -40.95 98.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.133 -0.94 . . . . 0.0 110.503 179.517 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.624 ' CD ' HG21 ' A' ' 41' ' ' ILE . 2.2 mt-10 -64.04 -38.61 91.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.489 179.665 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.65 -36.95 62.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.225 179.679 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.941 ' CE1' HD22 ' A' ' 17' ' ' LEU . 11.8 m-30 -67.52 -46.47 72.74 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.925 179.561 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.543 ' HA ' HD13 ' A' ' 37' ' ' ILE . 4.2 ttt180 -55.58 -51.33 67.47 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.792 179.531 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 72.2 p -57.96 -36.98 73.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.115 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.421 ' O ' HG22 ' B' ' 103' ' ' THR . 8.4 ptmt -96.09 4.0 52.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.702 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.986 HD12 HD11 ' A' ' 37' ' ' ILE . 0.2 OUTLIER -94.05 -66.09 0.94 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.002 0.429 . . . . 0.0 111.149 -179.751 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.531 ' HB3' ' HB2' ' A' ' 34' ' ' ARG . 1.5 p -60.41 -157.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.144 -179.187 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.423 ' OE1' ' NH1' ' A' ' 31' ' ' ARG . 1.3 mp0 59.62 28.14 17.5 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 120.964 0.412 . . . . 0.0 110.459 -179.762 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.767 HG23 ' H ' ' A' ' 29' ' ' GLU . 3.7 t -150.3 -63.51 0.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.379 -179.546 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.767 ' H ' HG23 ' A' ' 28' ' ' THR . 26.8 pt-20 -170.01 27.66 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.68 -179.289 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.536 ' HB2' HD22 ' A' ' 25' ' ' LEU . 4.8 m-20 -146.74 56.33 1.14 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.999 0.428 . . . . 0.0 110.783 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.423 ' NH1' ' OE1' ' A' ' 27' ' ' GLN . 12.9 mmm180 -66.23 -48.27 71.11 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.143 179.781 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -58.72 -48.94 79.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.799 178.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.845 HD21 ' HB3' ' B' ' 95' ' ' SER . 9.4 tp -53.51 -35.51 60.72 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.032 178.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.638 ' HA ' HD12 ' A' ' 37' ' ' ILE . 6.7 ttp180 -60.67 -43.96 97.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.722 178.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.6 m -60.67 -32.65 71.84 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.47 -0.787 . . . . 0.0 110.456 179.234 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.427 ' O ' ' HG2' ' A' ' 39' ' ' ARG . 61.0 m -66.41 -51.29 58.5 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.93 0.395 . . . . 0.0 110.628 179.695 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.986 HD11 HD12 ' A' ' 25' ' ' LEU . 6.4 mt -56.55 -40.58 69.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.268 0.556 . . . . 0.0 109.83 179.152 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.81 -52.59 64.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.042 -0.981 . . . . 0.0 111.909 -179.636 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.58 ' HG3' ' HB1' ' B' ' 88' ' ' ALA . 3.0 ptp180 -55.77 -34.59 65.38 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.066 -179.649 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.663 HG12 ' CD2' ' A' ' 44' ' ' PHE . 98.5 t -66.83 -34.42 69.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 178.17 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.685 HD11 ' HB3' ' A' ' 18' ' ' LEU . 12.4 mm -64.96 -61.07 1.87 Allowed 'Isoleucine or valine' 0 C--O 1.227 -0.131 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.05 179.232 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.3 p -54.97 -47.33 74.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.626 -179.423 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.773 HG23 ' CE2' ' B' ' 129' ' ' TYR . 14.2 mt -59.88 -32.01 48.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.738 178.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.878 ' HB3' HD22 ' A' ' 15' ' ' LEU . 0.5 OUTLIER -72.59 -58.59 3.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.819 178.926 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.437 ' OE1' HG22 ' A' ' 41' ' ' ILE . 33.8 mt-30 -66.63 -17.23 64.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.515 -179.563 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.456 ' CB ' ' CE1' ' B' ' 129' ' ' TYR . 1.2 m -38.81 127.02 1.56 Allowed 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.94 0.4 . . . . 0.0 111.623 -179.53 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -55.04 -29.74 58.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.295 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.788 ' O ' HD12 ' A' ' 48' ' ' LEU . 1.3 tp -79.84 -47.91 14.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.71 0.291 . . . . 0.0 110.803 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.798 ' CE2' HD11 ' A' ' 53' ' ' ILE . 79.7 t80 -50.99 -51.98 47.37 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.865 -179.677 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -59.28 -35.83 74.47 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.93 0.395 . . . . 0.0 110.427 179.468 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 48' ' ' LEU . . . -58.79 -43.67 90.52 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.321 179.565 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.504 HD13 ' O ' ' B' ' 125' ' ' LEU . 1.8 mt -62.24 -44.1 97.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.103 179.206 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.798 HD11 ' CE2' ' A' ' 49' ' ' PHE . 53.5 mt -52.09 -41.99 33.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.558 179.391 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -67.24 -38.1 84.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.411 179.398 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.687 HG22 ' HB2' ' A' ' 59' ' ' TYR . 68.3 mt -61.59 -41.51 90.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.641 179.564 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -51.92 -23.44 4.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.609 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.405 ' O ' ' CD1' ' A' ' 58' ' ' PHE . 68.4 mt-10 -47.1 -36.82 8.77 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.692 -179.685 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.468 ' CG ' ' HB3' ' C' ' 65' ' ' ASP . 61.2 m-85 -154.28 30.08 0.44 Allowed 'General case' 0 C--O 1.234 0.251 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 -179.529 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.981 ' CD2' HD21 ' D' ' 128' ' ' LEU . 57.5 m-85 -134.09 75.39 1.59 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.563 179.477 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.405 ' HB2' ' HB ' ' C' ' 62' ' ' THR . 1.0 OUTLIER -63.26 100.35 0.23 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.8 -179.743 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.598 HG12 ' HB3' ' C' ' 59' ' ' TYR . 0.0 OUTLIER -72.83 96.94 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.966 0.412 . . . . 0.0 110.684 179.841 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.419 ' HB ' ' CB ' ' C' ' 60' ' ' GLU . 1.7 m -72.34 116.95 13.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.975 -179.788 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.654 HD11 ' CZ ' ' C' ' 59' ' ' TYR . 2.9 tp -88.27 118.48 27.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.337 179.423 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.511 HD23 ' N ' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -106.96 -28.48 10.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.341 -179.71 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.42 ' HB2' ' HB3' ' C' ' 58' ' ' PHE . 2.4 t0 -64.9 -47.12 78.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.95 0.405 . . . . 0.0 110.465 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.465 0.301 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.644 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.382 0 N-CA-C 111.617 -0.593 . . . . 0.0 111.617 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.74 ' O ' HD23 ' B' ' 82' ' ' LEU . 8.8 tt -110.22 -23.17 11.39 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 122.498 0.319 . . . . 0.0 111.579 -179.561 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 83' ' ' LEU . . . . . 0.885 HD23 ' H ' ' B' ' 84' ' ' ALA . 0.0 OUTLIER -72.44 -49.45 33.34 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.007 0.432 . . . . 0.0 110.677 -179.578 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.885 ' H ' HD23 ' B' ' 83' ' ' LEU . . . -67.98 -25.6 65.51 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.58 -178.785 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 85' ' ' ALA . . . . . 0.822 ' HB1' ' HB3' ' B' ' 126' ' ' LEU . . . -52.5 -24.71 8.54 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.494 -0.482 . . . . 0.0 110.198 179.383 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -126.02 -44.81 1.75 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.991 178.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 87' ' ' ARG . . . . . 0.666 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 7.7 ttt85 -57.9 -47.46 82.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.355 179.139 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 88' ' ' ALA . . . . . 0.699 ' HB3' ' O ' ' B' ' 84' ' ' ALA . . . -56.36 -46.25 80.1 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.406 -0.816 . . . . 0.0 111.373 -179.267 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 89' ' ' VAL . . . . . 0.554 HG12 ' HB3' ' B' ' 117' ' ' PHE . 25.4 t -69.61 -30.17 44.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.074 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 13.4 t -74.7 -35.5 62.73 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.79 -179.513 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 91' ' ' GLN . . . . . 0.584 ' HG3' ' O ' ' B' ' 87' ' ' ARG . 6.2 mt-30 -68.69 -52.91 25.85 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-O 121.2 0.524 . . . . 0.0 109.633 179.741 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 92' ' ' VAL . . . . . 0.898 HG11 ' CD2' ' A' ' 18' ' ' LEU . 12.5 t -63.55 -27.83 43.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.086 179.364 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 93' ' ' LEU . . . . . 0.797 HD21 ' HA ' ' B' ' 114' ' ' HIS . 1.8 mt -66.54 -43.28 85.53 Favored 'General case' 0 C--N 1.337 0.041 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.448 179.667 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.57 -33.89 35.77 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.81 -179.73 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 95' ' ' SER . . . . . 0.845 ' HB3' HD21 ' A' ' 33' ' ' LEU . 8.2 m -79.96 -22.91 42.05 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.568 -179.773 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 96' ' ' LEU . . . . . 0.998 HD22 HD22 ' B' ' 110' ' ' LEU . 0.2 OUTLIER -38.01 -52.59 1.39 Allowed 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -179.358 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -70.11 -28.32 65.29 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.971 0.415 . . . . 0.0 111.022 -179.356 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 98' ' ' GLU . . . . . 0.802 ' O ' ' HB3' ' B' ' 101' ' ' ALA . 0.1 OUTLIER -69.82 -34.79 74.15 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.796 -1.186 . . . . 0.0 107.796 177.755 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 99' ' ' ILE . . . . . 0.619 HG23 HG21 ' B' ' 103' ' ' THR . 39.8 mt -62.45 -49.79 82.45 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.777 0 CA-C-N 114.446 -1.252 . . . . 0.0 109.88 178.595 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 100' ' ' HIS . . . . . 0.909 ' HB2' HD11 ' B' ' 110' ' ' LEU . 0.2 OUTLIER -56.57 -33.76 66.46 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 178.231 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 101' ' ' ALA . . . . . 0.802 ' HB3' ' O ' ' B' ' 98' ' ' GLU . . . -56.65 -45.61 81.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 114.459 -1.246 . . . . 0.0 111.899 179.419 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 102' ' ' LEU . . . . . 0.78 HD21 ' OE2' ' B' ' 98' ' ' GLU . 0.4 OUTLIER -117.37 26.5 9.7 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.615 -0.721 . . . . 0.0 112.684 -177.361 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 103' ' ' THR . . . . . 0.675 HG23 HD12 ' B' ' 102' ' ' LEU . 33.9 p -140.64 -31.98 0.6 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.717 0.294 . . . . 0.0 111.534 179.677 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 13.1 t70 68.45 27.47 6.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.905 0.384 . . . . 0.0 110.397 -179.513 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 3.3 m -54.31 -76.78 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.724 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 167.76 104.01 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.56 179.774 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -47.97 -32.86 6.99 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.92 0.39 . . . . 0.0 110.637 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.56 -46.61 72.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.629 178.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 109' ' ' ASP . . . . . 0.654 ' O ' HD12 ' B' ' 113' ' ' LEU . 60.4 m-20 -63.05 -36.93 85.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.721 178.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 110' ' ' LEU . . . . . 0.998 HD22 HD22 ' B' ' 96' ' ' LEU . 29.5 mt -60.26 -39.78 88.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.899 179.049 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.8 -43.68 95.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.559 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 112' ' ' PHE . . . . . 0.409 ' O ' HG23 ' B' ' 116' ' ' VAL . 2.7 t80 -58.44 -38.75 78.11 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.416 179.716 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 113' ' ' LEU . . . . . 0.688 HD11 ' CD1' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -76.11 -31.28 58.6 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.944 -179.766 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 114' ' ' HIS . . . . . 0.797 ' HA ' HD21 ' B' ' 93' ' ' LEU . 0.0 OUTLIER -64.92 -29.77 70.73 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 178.834 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 115' ' ' SER . . . . . 0.433 ' N ' ' CD2' ' B' ' 114' ' ' HIS . 0.3 OUTLIER -79.2 -38.49 35.64 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 177.8 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 116' ' ' VAL . . . . . 0.818 ' O ' HD22 ' B' ' 122' ' ' LEU . 16.5 t -61.99 -23.73 32.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.592 178.07 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 117' ' ' PHE . . . . . 0.61 ' HZ ' HD11 ' A' ' 18' ' ' LEU . 17.9 m-85 -99.98 -30.54 11.94 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.286 -179.692 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 118' ' ' GLN . . . . . 0.56 ' NE2' ' ND1' ' B' ' 114' ' ' HIS . 0.0 OUTLIER -66.94 -29.4 69.26 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.415 -179.531 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -46.66 114.19 0.78 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.419 -179.678 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.02 -38.33 85.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.548 179.758 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -59.64 -34.32 72.65 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.617 179.704 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 122' ' ' LEU . . . . . 0.851 HD12 HD12 ' B' ' 125' ' ' LEU . 47.7 tp -56.16 -46.29 79.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.504 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 123' ' ' HIS . . . . . 1.01 ' HA ' HD12 ' B' ' 126' ' ' LEU . 38.7 m170 -57.58 -25.33 59.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.07 179.078 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 124' ' ' THR . . . . . 0.4 ' O ' ' HG ' ' B' ' 128' ' ' LEU . 1.8 m -73.74 -37.92 64.92 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.179 -0.675 . . . . 0.0 109.179 178.759 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 125' ' ' LEU . . . . . 0.851 HD12 HD12 ' B' ' 122' ' ' LEU . 4.3 mt -71.32 -32.32 68.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.602 178.469 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 126' ' ' LEU . . . . . 1.01 HD12 ' HA ' ' B' ' 123' ' ' HIS . 7.5 mt -73.34 -50.62 21.06 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.145 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.22 -53.04 62.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.095 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 128' ' ' LEU . . . . . 0.931 HD21 ' CD2' ' C' ' 59' ' ' TYR . 14.3 mt -60.85 -39.06 87.67 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.638 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 129' ' ' TYR . . . . . 0.773 ' CE2' HG23 ' A' ' 43' ' ' ILE . 1.0 OUTLIER -56.34 -40.94 75.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.132 0.491 . . . . 0.0 110.354 179.582 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 130' ' ' ASP . . . . . 0.645 ' OD1' ' HB2' ' B' ' 85' ' ' ALA . 0.3 OUTLIER -76.23 -40.27 52.45 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.196 179.93 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 24.8 mmtt -54.56 -54.12 45.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.358 -179.29 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 132' ' ' ILE . . . . . 0.807 HD12 ' O ' ' B' ' 128' ' ' LEU . 1.8 mt -72.87 -35.86 50.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.912 0.387 . . . . 0.0 110.708 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 133' ' ' ASN . . . . . 0.589 ' HB2' HD23 ' A' ' 48' ' ' LEU . 48.0 t-20 -63.69 -25.88 68.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.818 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 134' ' ' THR . . . . . 0.643 HG22 ' O ' ' B' ' 134' ' ' THR . 58.2 m -94.39 28.81 2.43 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.19 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 135' ' ' LYS . . . . . 0.447 ' HG3' ' O ' ' B' ' 134' ' ' THR . 1.6 pttp 41.81 32.08 0.25 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.696 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 10.8 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.98 179.913 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.13 -36.31 83.2 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.2 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -75.74 -28.93 58.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.026 179.071 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 10' ' ' ASP . . . . . 0.718 ' HB3' HG22 ' D' ' 116' ' ' VAL . 4.4 m-20 -79.47 -30.61 42.17 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.301 179.537 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 3.3 p -73.08 -42.39 63.07 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.542 179.647 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 12' ' ' GLN . . . . . 0.477 ' HA ' HD23 ' C' ' 15' ' ' LEU . 0.7 OUTLIER -71.13 -38.75 72.26 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.357 179.515 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 18.7 ttm180 -73.04 -24.77 60.75 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.931 178.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 14' ' ' ALA . . . . . 0.856 ' CB ' HG11 ' D' ' 116' ' ' VAL . . . -78.47 -54.23 6.39 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.6 178.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 15' ' ' LEU . . . . . 0.877 ' HA ' HD12 ' C' ' 18' ' ' LEU . 0.4 OUTLIER -62.34 -26.07 68.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.602 179.38 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 16' ' ' HIS . . . . . . . . . . . . . 6.8 m170 -73.19 -45.88 53.83 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 178.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 17' ' ' LEU . . . . . 0.697 ' CD1' HD11 ' D' ' 113' ' ' LEU . 5.7 mt -63.15 -36.4 83.48 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.458 178.618 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 18' ' ' LEU . . . . . 0.982 HD22 HG11 ' D' ' 92' ' ' VAL . 38.8 mt -62.99 -46.8 85.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.632 179.587 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 19' ' ' GLU . . . . . 0.407 ' CG ' HG21 ' C' ' 41' ' ' ILE . 15.4 mt-10 -57.91 -41.51 82.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.767 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -71.53 -32.36 68.07 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.221 179.617 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 21' ' ' TYR . . . . . 0.67 ' O ' ' HB2' ' C' ' 25' ' ' LEU . 14.4 m-30 -70.13 -48.65 56.58 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.451 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 22' ' ' ARG . . . . . 0.461 ' HB2' ' CG ' ' C' ' 34' ' ' ARG . 6.5 ptm180 -55.66 -42.66 75.39 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.607 179.455 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 17.7 t -59.68 -43.27 94.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.734 179.498 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 24' ' ' LYS . . . . . 0.53 ' O ' HG22 ' D' ' 103' ' ' THR . 10.1 ptmt -98.74 13.17 33.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.74 -179.802 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 25' ' ' LEU . . . . . 0.923 HD12 HD11 ' C' ' 37' ' ' ILE . 0.0 OUTLIER -107.85 -67.5 0.96 Allowed 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.815 0.302 . . . . 0.0 111.815 -179.269 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 26' ' ' SER . . . . . 0.589 ' CB ' ' HB2' ' C' ' 34' ' ' ARG . 0.0 OUTLIER -61.74 -18.13 58.58 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -178.399 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 27' ' ' GLN . . . . . 0.435 ' OE1' ' NH1' ' C' ' 31' ' ' ARG . 0.3 OUTLIER -72.65 57.38 0.41 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.946 0.403 . . . . 0.0 111.077 -179.513 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 28' ' ' THR . . . . . 0.632 HG22 ' O ' ' C' ' 25' ' ' LEU . 9.0 t -176.34 -58.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 112.058 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 29' ' ' GLU . . . . . 0.626 ' N ' HG23 ' C' ' 28' ' ' THR . 14.8 pt-20 -168.57 29.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -178.792 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 30' ' ' ASP . . . . . 0.57 ' HB2' HD22 ' C' ' 25' ' ' LEU . 2.0 m-20 -141.93 47.23 1.64 Allowed 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 120.932 -0.307 . . . . 0.0 111.654 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 31' ' ' ARG . . . . . 0.468 ' HA ' ' HB2' ' C' ' 26' ' ' SER . 10.8 mmm180 -54.87 -51.88 64.56 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.181 0.515 . . . . 0.0 110.715 179.456 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.04 -45.88 75.26 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.098 179.116 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 33' ' ' LEU . . . . . 0.886 HD21 ' HB3' ' D' ' 95' ' ' SER . 3.9 tp -53.1 -35.09 59.25 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.951 179.073 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 34' ' ' ARG . . . . . 0.589 ' HB2' ' CB ' ' C' ' 26' ' ' SER . 6.0 ttp180 -60.76 -45.83 92.8 Favored 'General case' 0 CA--C 1.512 -0.495 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 178.535 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 10.4 t -54.13 -36.9 63.78 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.376 179.4 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 36' ' ' SER . . . . . 0.484 ' O ' HG23 ' C' ' 40' ' ' VAL . 3.9 p -68.88 -49.63 56.58 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.951 0.405 . . . . 0.0 110.319 179.051 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 37' ' ' ILE . . . . . 0.923 HD11 HD12 ' C' ' 25' ' ' LEU . 52.0 mt -58.1 -38.14 65.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.081 0.467 . . . . 0.0 109.816 178.809 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -61.45 -52.38 64.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.61 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 39' ' ' ARG . . . . . 0.602 ' HG3' ' HB1' ' D' ' 88' ' ' ALA . 4.3 ptp85 -55.52 -35.05 65.21 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.652 -0.419 . . . . 0.0 109.897 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 40' ' ' VAL . . . . . 0.716 HG12 ' CD2' ' C' ' 44' ' ' PHE . 57.9 t -68.73 -31.96 52.99 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 CA-C-N 116.257 -0.429 . . . . 0.0 109.925 178.336 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 41' ' ' ILE . . . . . 0.622 HG12 ' O ' ' C' ' 37' ' ' ILE . 8.6 mm -69.31 -59.48 3.51 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.601 179.672 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 16.5 p -57.76 -47.16 83.28 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-O 121.022 0.439 . . . . 0.0 110.5 -179.228 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 43' ' ' ILE . . . . . 0.452 ' HA ' ' CZ ' ' D' ' 129' ' ' TYR . 31.2 mt -59.94 -33.08 51.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.966 179.05 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 44' ' ' PHE . . . . . 0.787 ' HB3' HD22 ' C' ' 15' ' ' LEU . 0.2 OUTLIER -73.04 -57.48 4.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.804 -179.932 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 45' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -80.21 -18.5 49.38 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 -176.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 46' ' ' SER . . . . . 0.437 ' CB ' ' OH ' ' D' ' 129' ' ' TYR . 0.4 OUTLIER -45.28 143.92 1.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.989 0.424 . . . . 0.0 111.328 -179.286 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -54.94 -22.53 15.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.389 -178.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 48' ' ' LEU . . . . . 0.658 HD13 ' O ' ' C' ' 48' ' ' LEU . 0.3 OUTLIER -75.74 -46.2 32.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.818 0.342 . . . . 0.0 111.033 -179.475 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 49' ' ' PHE . . . . . 0.906 ' CE2' HD11 ' C' ' 53' ' ' ILE . 19.7 t80 -51.29 -56.3 13.72 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.54 -179.195 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 50.2 mm-40 -51.75 -39.17 58.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.866 0.365 . . . . 0.0 110.739 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 51' ' ' ALA . . . . . 0.514 ' CB ' HG23 ' B' ' 132' ' ' ILE . . . -60.76 -52.24 65.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.764 179.517 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 52' ' ' LEU . . . . . 0.782 HD13 ' O ' ' D' ' 125' ' ' LEU . 1.2 mt -58.33 -46.99 85.17 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.721 179.801 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 53' ' ' ILE . . . . . 0.906 HD11 ' CE2' ' C' ' 49' ' ' PHE . 63.4 mt -53.64 -36.26 28.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.543 179.541 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.72 -30.64 64.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.623 179.474 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 55' ' ' ILE . . . . . 0.729 HG23 ' CD2' ' B' ' 128' ' ' LEU . 72.7 mt -70.07 -50.95 43.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.163 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 56' ' ' GLN . . . . . 0.407 ' HG2' ' HA ' ' C' ' 53' ' ' ILE . 5.3 pt20 -53.51 -23.15 9.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.533 -179.587 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.71 -35.19 13.49 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.633 0.254 . . . . 0.0 111.023 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 58' ' ' PHE . . . . . 0.422 ' HA ' ' HG ' ' A' ' 64' ' ' LEU . 80.7 m-85 -146.92 16.03 1.21 Allowed 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 59' ' ' TYR . . . . . 0.931 ' CD2' HD21 ' B' ' 128' ' ' LEU . 13.4 m-85 -130.64 62.28 1.6 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.886 0.374 . . . . 0.0 110.675 179.804 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 60' ' ' GLU . . . . . 0.419 ' CB ' ' HB ' ' A' ' 62' ' ' THR . 0.9 OUTLIER -48.29 95.8 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.976 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 61' ' ' VAL . . . . . 0.599 HG23 HG21 ' D' ' 124' ' ' THR . 0.1 OUTLIER -72.14 104.44 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.993 0.425 . . . . 0.0 111.276 -179.713 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 62' ' ' THR . . . . . 0.432 ' O ' HD23 ' C' ' 64' ' ' LEU . 2.5 m -89.19 110.43 21.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.472 179.753 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 63' ' ' LEU . . . . . 0.47 HD22 ' HB3' ' C' ' 66' ' ' ASN . 0.2 OUTLIER -82.56 132.47 35.19 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.835 -179.912 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 64' ' ' LEU . . . . . 0.681 ' N ' HD23 ' C' ' 64' ' ' LEU . 0.1 OUTLIER -116.75 -31.29 5.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.469 -179.558 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 65' ' ' ASP . . . . . 0.468 ' HB3' ' CG ' ' A' ' 58' ' ' PHE . 2.7 p30 -60.67 -27.46 67.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.897 0.38 . . . . 0.0 110.694 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 66' ' ' ASN . . . . . 0.47 ' HB3' HD22 ' C' ' 63' ' ' LEU . 18.2 p-10 . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.285 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.48 0 N-CA-C 109.543 -1.423 . . . . 0.0 109.543 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 82' ' ' LEU . . . . . 0.804 ' N ' HD23 ' D' ' 82' ' ' LEU . 0.5 OUTLIER -78.13 -24.47 47.41 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 177.67 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' D' D ' 83' ' ' LEU . . . . . 0.998 HD23 ' H ' ' D' ' 84' ' ' ALA . 0.3 OUTLIER -66.53 -47.12 73.88 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.021 -0.991 . . . . 0.0 110.698 -179.835 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' D' D ' 84' ' ' ALA . . . . . 0.998 ' H ' HD23 ' D' ' 83' ' ' LEU . . . -77.82 -20.04 53.9 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.435 -179.216 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 85' ' ' ALA . . . . . 0.87 ' HB1' ' HB2' ' D' ' 126' ' ' LEU . . . -52.3 -23.19 5.39 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.214 0.53 . . . . 0.0 110.112 179.253 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 86' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -128.29 -38.97 1.73 Allowed 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.536 178.72 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 87' ' ' ARG . . . . . 0.698 ' HB3' ' O ' ' D' ' 83' ' ' LEU . 31.9 ttt85 -65.53 -41.0 93.56 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.493 179.288 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 88' ' ' ALA . . . . . 0.983 ' HB2' ' HB1' ' D' ' 84' ' ' ALA . . . -70.6 -46.15 63.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.597 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 89' ' ' VAL . . . . . 0.587 HG12 ' HB3' ' D' ' 117' ' ' PHE . 28.9 t -68.69 -35.82 71.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.34 179.24 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 90' ' ' SER . . . . . 0.451 ' HA ' ' HB2' ' D' ' 93' ' ' LEU . 62.5 m -75.35 -24.75 57.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.632 179.308 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 91' ' ' GLN . . . . . 0.414 ' HB3' ' HB2' ' C' ' 36' ' ' SER . 11.3 mt-30 -67.69 -57.09 6.98 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-O 121.325 0.583 . . . . 0.0 109.627 179.357 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 92' ' ' VAL . . . . . 0.982 HG11 HD22 ' C' ' 18' ' ' LEU . 3.6 t -66.09 -27.99 42.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.262 -0.881 . . . . 0.0 109.902 179.127 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 93' ' ' LEU . . . . . 0.773 HD21 ' HA ' ' D' ' 114' ' ' HIS . 2.3 mt -64.36 -37.9 89.12 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.263 179.7 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -83.22 -35.35 25.49 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.929 0.395 . . . . 0.0 111.136 -179.533 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 95' ' ' SER . . . . . 0.886 ' HB3' HD21 ' C' ' 33' ' ' LEU . 16.1 m -80.59 -23.36 39.92 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.137 -179.509 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 96' ' ' LEU . . . . . 0.831 HD22 HD22 ' D' ' 110' ' ' LEU . 0.2 OUTLIER -36.83 -52.73 0.93 Allowed 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 112.722 0.638 . . . . 0.0 112.722 -178.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -70.54 -27.95 64.55 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.978 -179.376 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 98' ' ' GLU . . . . . 0.764 ' O ' ' HB3' ' D' ' 101' ' ' ALA . 0.1 OUTLIER -69.83 -34.73 74.05 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 177.597 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' D' D ' 99' ' ' ILE . . . . . 0.572 HG23 HG21 ' D' ' 103' ' ' THR . 24.8 mt -61.45 -49.74 83.24 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.756 0 CA-C-N 114.452 -1.249 . . . . 0.0 109.925 178.437 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 100' ' ' HIS . . . . . 0.816 ' HB2' HD11 ' D' ' 110' ' ' LEU . 0.2 OUTLIER -57.42 -33.79 68.25 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 178.326 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' D' D ' 101' ' ' ALA . . . . . 0.764 ' HB3' ' O ' ' D' ' 98' ' ' GLU . . . -57.8 -43.07 85.39 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.528 -1.214 . . . . 0.0 111.967 179.5 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 102' ' ' LEU . . . . . 0.657 HD12 HG23 ' D' ' 103' ' ' THR . 0.4 OUTLIER -119.41 25.94 9.75 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 -177.395 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' D' D ' 103' ' ' THR . . . . . 0.657 HG23 HD12 ' D' ' 102' ' ' LEU . 30.9 p -141.25 -32.91 0.53 Allowed 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 120.984 -0.286 . . . . 0.0 111.517 179.727 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 67.73 28.29 7.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.873 0.368 . . . . 0.0 110.448 -179.427 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 105' ' ' SER . . . . . 0.42 ' OG ' ' CE1' ' C' ' 21' ' ' TYR . 3.7 m -52.84 -75.93 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.892 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 169.64 105.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.405 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -47.48 -39.28 15.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.871 0.367 . . . . 0.0 110.736 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 5.2 mmtp -63.3 -43.88 96.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.146 0.498 . . . . 0.0 109.853 179.157 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 109' ' ' ASP . . . . . 0.714 ' O ' HD12 ' D' ' 113' ' ' LEU . 2.5 m-20 -65.03 -37.67 88.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.753 178.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 110' ' ' LEU . . . . . 0.831 HD22 HD22 ' D' ' 96' ' ' LEU . 13.3 mt -59.58 -49.67 76.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.929 179.136 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 111' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.66 -42.56 79.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.899 -179.697 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 112' ' ' PHE . . . . . 0.468 ' O ' HG23 ' D' ' 116' ' ' VAL . 2.4 t80 -58.67 -39.91 81.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.36 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 113' ' ' LEU . . . . . 0.714 HD12 ' O ' ' D' ' 109' ' ' ASP . 0.5 OUTLIER -73.71 -30.74 63.03 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.217 -179.704 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' D' D ' 114' ' ' HIS . . . . . 0.773 ' HA ' HD21 ' D' ' 93' ' ' LEU . 65.2 m80 -63.21 -34.85 78.55 Favored 'General case' 0 CA--C 1.517 -0.293 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 178.296 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 115' ' ' SER . . . . . . . . . . . . . 44.1 t -73.0 -39.54 65.97 Favored 'General case' 0 N--CA 1.453 -0.275 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 178.426 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 116' ' ' VAL . . . . . 0.873 ' O ' HD22 ' D' ' 122' ' ' LEU . 41.3 t -62.28 -23.39 31.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.141 -0.936 . . . . 0.0 109.698 178.326 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 117' ' ' PHE . . . . . 0.704 ' CZ ' HD11 ' C' ' 18' ' ' LEU . 8.4 m-30 -105.32 -18.88 13.97 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.585 -179.728 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 118' ' ' GLN . . . . . 0.594 HE22 ' HB3' ' D' ' 114' ' ' HIS . 0.0 OUTLIER -74.71 -33.65 62.46 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.725 0.298 . . . . 0.0 111.39 -179.5 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -42.45 127.95 3.82 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.711 -179.321 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 120' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -69.0 -46.9 66.84 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.674 179.731 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 121' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 -55.88 -34.03 65.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.404 179.378 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 122' ' ' LEU . . . . . 0.873 HD22 ' O ' ' D' ' 116' ' ' VAL . 24.3 tp -56.19 -50.41 71.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.286 179.844 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 123' ' ' HIS . . . . . 0.474 ' HA ' ' CD1' ' D' ' 126' ' ' LEU . 28.9 m170 -51.73 -27.14 11.03 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.176 179.023 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 124' ' ' THR . . . . . 0.599 HG21 HG23 ' C' ' 61' ' ' VAL . 6.2 m -75.7 -35.86 60.18 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.92 179.372 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 125' ' ' LEU . . . . . 0.782 ' O ' HD13 ' C' ' 52' ' ' LEU . 14.9 mt -62.32 -41.48 98.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.796 179.662 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 126' ' ' LEU . . . . . 0.87 ' HB2' ' HB1' ' D' ' 85' ' ' ALA . 1.7 mp -73.38 -40.43 64.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.46 -179.442 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 127' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.42 -53.5 57.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.946 0.403 . . . . 0.0 111.137 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 128' ' ' LEU . . . . . 0.981 HD21 ' CD2' ' A' ' 59' ' ' TYR . 2.4 mt -72.13 -29.09 63.72 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.339 179.622 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 129' ' ' TYR . . . . . 0.49 ' CD2' ' HB3' ' C' ' 48' ' ' LEU . 1.6 t80 -55.37 -52.56 63.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.313 -179.437 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 130' ' ' ASP . . . . . 0.432 ' HB3' ' CD2' ' D' ' 82' ' ' LEU . 2.2 m-20 -76.88 -36.44 56.73 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.832 0.349 . . . . 0.0 111.039 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 131' ' ' LYS . . . . . . . . . . . . . 7.1 mttm -56.57 -43.88 80.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.134 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 132' ' ' ILE . . . . . 0.641 HG12 HD11 ' A' ' 55' ' ' ILE . 5.3 mt -78.86 -39.05 21.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.865 0.364 . . . . 0.0 111.039 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 133' ' ' ASN . . . . . . . . . . . . . 16.6 t30 -63.71 -25.9 68.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.237 -179.591 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 134' ' ' THR . . . . . . . . . . . . . 74.8 m -81.28 -35.99 30.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.464 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 135' ' ' LYS . . . . . . . . . . . . . 12.1 mttp -92.59 -19.56 21.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.433 -179.646 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 136' ' ' SER . . . . . . . . . . . . . 5.5 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.314 -179.83 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.09 -38.56 91.66 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 121.136 0.493 . . . . 0.0 109.692 179.046 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 55.4 mm-40 -74.17 -29.86 61.97 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.023 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.628 ' HB3' HG22 ' B' ' 116' ' ' VAL . 1.1 m-20 -80.03 -29.81 39.4 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.233 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.776 HG23 ' CD1' ' A' ' 44' ' ' PHE . 94.9 m -71.21 -42.21 69.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.117 179.571 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.416 ' O ' ' HB2' ' A' ' 16' ' ' HIS . 0.8 OUTLIER -69.51 -46.82 65.64 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.202 179.272 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.446 ' HD2' ' CE1' ' B' ' 112' ' ' PHE . 0.4 OUTLIER -65.91 -25.05 66.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.139 179.193 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.915 ' CB ' HG11 ' B' ' 116' ' ' VAL . . . -78.7 -54.71 5.82 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 179.065 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.762 ' O ' HD12 ' A' ' 41' ' ' ILE . 0.4 OUTLIER -65.92 -27.34 68.12 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.681 179.342 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.416 ' HB2' ' O ' ' A' ' 12' ' ' GLN . 4.6 m-70 -73.19 -45.51 55.93 Favored 'General case' 0 CA--C 1.52 -0.191 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 178.626 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.935 HD22 ' CE1' ' A' ' 21' ' ' TYR . 2.7 mt -60.92 -43.78 98.11 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.655 179.082 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.733 HD22 HG11 ' B' ' 92' ' ' VAL . 23.1 mt -58.94 -42.65 90.28 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.623 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.456 ' CG ' HG21 ' A' ' 41' ' ' ILE . 8.0 mt-10 -58.26 -44.02 88.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.195 0.521 . . . . 0.0 110.715 179.681 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -72.57 -31.6 65.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.035 179.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.935 ' CE1' HD22 ' A' ' 17' ' ' LEU . 10.7 m-30 -67.51 -47.68 69.27 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.521 179.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.452 ' HA ' HD12 ' A' ' 37' ' ' ILE . 2.7 ptm180 -60.19 -43.64 95.74 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 120.894 0.378 . . . . 0.0 110.612 179.593 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.6 t -57.37 -40.37 78.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.399 179.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.7 ptmt -96.9 3.9 51.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.566 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 1.07 HD12 HD11 ' A' ' 37' ' ' ILE . 0.1 OUTLIER -92.36 -66.87 0.89 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.88 0.371 . . . . 0.0 111.181 -179.852 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.467 ' HB3' ' HB2' ' A' ' 34' ' ' ARG . 2.9 p -60.45 -157.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.875 -179.483 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.422 ' OE1' ' NH1' ' A' ' 31' ' ' ARG . 1.8 mp0 59.72 25.4 14.38 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 120.822 0.344 . . . . 0.0 110.674 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.772 HG23 ' H ' ' A' ' 29' ' ' GLU . 3.5 t -147.87 -63.75 0.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.388 -179.568 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.772 ' H ' HG23 ' A' ' 28' ' ' THR . 12.6 pt-20 -170.4 27.87 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.607 -179.213 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.473 ' HB2' HD22 ' A' ' 25' ' ' LEU . 3.8 m-20 -146.73 53.11 1.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.035 0.445 . . . . 0.0 110.816 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.422 ' NH1' ' OE1' ' A' ' 27' ' ' GLN . 13.9 mmm180 -64.64 -47.77 77.28 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.214 0.53 . . . . 0.0 109.871 179.628 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.7 tp60 -58.23 -45.03 88.45 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.594 178.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.52 HD11 ' CB ' ' B' ' 95' ' ' SER . 8.1 tp -57.02 -34.07 67.81 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.823 178.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.467 ' HB2' ' HB3' ' A' ' 26' ' ' SER . 5.6 ttp180 -60.6 -43.0 97.91 Favored 'General case' 0 CA--C 1.518 -0.278 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 178.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.23 -38.27 79.59 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.407 179.08 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.508 ' HB2' ' NE2' ' B' ' 91' ' ' GLN . 27.8 p -62.07 -51.46 67.85 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.174 0.511 . . . . 0.0 110.431 179.474 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 1.07 HD11 HD12 ' A' ' 25' ' ' LEU . 37.8 mt -55.85 -42.88 72.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.273 179.399 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.37 -43.51 79.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.835 179.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.455 ' HB3' ' CB ' ' B' ' 88' ' ' ALA . 9.8 mtt180 -55.7 -49.07 74.0 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-O 121.261 0.553 . . . . 0.0 109.927 179.346 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.749 HG12 ' CD2' ' A' ' 44' ' ' PHE . 21.6 t -60.18 -33.81 54.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.662 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.762 HD12 ' O ' ' A' ' 15' ' ' LEU . 13.0 mm -70.06 -55.38 14.95 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.719 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.1 p -60.86 -49.28 78.11 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-O 120.922 0.391 . . . . 0.0 110.809 -179.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.556 HD13 ' HA ' ' B' ' 85' ' ' ALA . 11.1 mt -59.97 -32.28 49.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.079 179.358 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.776 ' CD1' HG23 ' A' ' 11' ' ' THR . 0.2 OUTLIER -72.51 -57.17 4.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.139 179.767 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.438 ' HG2' ' O ' ' A' ' 41' ' ' ILE . 4.7 pt20 -79.43 1.13 26.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.227 -178.229 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.451 ' CB ' ' CE1' ' B' ' 129' ' ' TYR . 0.1 OUTLIER -53.49 137.71 35.5 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.939 0.399 . . . . 0.0 110.78 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -56.36 -32.46 64.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.489 -179.552 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.864 ' O ' HD12 ' A' ' 48' ' ' LEU . 0.4 OUTLIER -79.73 -46.61 16.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.756 0.312 . . . . 0.0 111.09 -179.725 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.662 ' CE1' HD23 ' B' ' 126' ' ' LEU . 41.9 t80 -51.26 -53.5 34.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.598 -179.597 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -54.28 -40.86 68.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.821 0.344 . . . . 0.0 111.049 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.431 ' HB1' HG23 ' D' ' 132' ' ' ILE . . . -58.48 -45.1 89.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.057 0.456 . . . . 0.0 110.648 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.526 HD21 ' HB3' ' B' ' 128' ' ' LEU . 5.6 mt -61.94 -44.72 96.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.307 179.479 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.871 HG12 HD13 ' B' ' 125' ' ' LEU . 23.0 mt -51.46 -39.49 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.976 178.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -65.58 -39.53 91.74 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.104 179.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.682 HG22 ' HB2' ' A' ' 59' ' ' TYR . 4.9 mm -52.65 -40.85 35.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.842 179.502 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -50.28 -22.45 1.79 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.946 -179.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.421 ' O ' ' CG ' ' A' ' 58' ' ' PHE . 0.6 OUTLIER -44.66 -48.77 10.58 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.512 0.196 . . . . 0.0 111.525 -179.63 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.421 ' CG ' ' O ' ' A' ' 57' ' ' GLU . 66.0 m-85 -156.24 44.57 0.42 Allowed 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.949 0.404 . . . . 0.0 111.637 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.682 ' HB2' HG22 ' A' ' 55' ' ' ILE . 42.4 m-85 -139.68 67.35 1.38 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.642 179.388 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.418 ' HB2' ' HB ' ' C' ' 62' ' ' THR . 3.1 mt-10 -53.72 93.21 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.976 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.632 HG23 HG21 ' B' ' 124' ' ' THR . 0.0 OUTLIER -78.21 96.87 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.868 0.366 . . . . 0.0 111.101 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.428 ' HB ' ' HB2' ' C' ' 60' ' ' GLU . 11.7 m -78.12 120.09 22.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.394 179.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.81 HD11 ' CE2' ' C' ' 59' ' ' TYR . 0.8 OUTLIER -92.38 135.43 34.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.04 -179.876 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.753 ' N ' HD23 ' A' ' 64' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.078 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . 0.898 ' O ' HD12 ' B' ' 82' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.451 -0.381 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . 0.922 HD23 ' H ' ' B' ' 84' ' ' ALA . 0.0 OUTLIER -69.97 -55.49 9.49 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.046 -179.816 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 0.922 ' H ' HD23 ' B' ' 83' ' ' LEU . . . -64.34 -29.36 70.44 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.066 -0.515 . . . . 0.0 112.028 -178.094 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 85' ' ' ALA . . . . . 0.91 ' HB1' ' HB3' ' B' ' 126' ' ' LEU . . . -53.69 -24.67 15.31 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.914 0.388 . . . . 0.0 110.674 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -124.2 -45.29 1.98 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.011 -0.541 . . . . 0.0 109.788 178.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 87' ' ' ARG . . . . . 0.688 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 6.1 ttt-85 -57.69 -52.97 63.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.031 178.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . 0.738 ' HB3' ' O ' ' B' ' 84' ' ' ALA . . . -56.47 -43.83 79.98 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.32 -0.854 . . . . 0.0 111.193 -179.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 89' ' ' VAL . . . . . 0.49 ' CG1' ' HB3' ' B' ' 117' ' ' PHE . 21.5 t -59.25 -35.24 56.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.073 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 3.7 t -76.06 -29.66 58.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.813 -179.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 91' ' ' GLN . . . . . 0.617 ' NE2' ' HA ' ' B' ' 88' ' ' ALA . 11.7 mt-30 -66.45 -55.21 16.78 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-O 121.395 0.617 . . . . 0.0 109.511 179.597 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 92' ' ' VAL . . . . . 0.733 HG11 HD22 ' A' ' 18' ' ' LEU . 3.3 t -65.72 -28.31 43.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.278 179.246 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 93' ' ' LEU . . . . . 0.725 HD21 ' HA ' ' B' ' 114' ' ' HIS . 2.7 mt -67.09 -32.92 74.4 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.009 179.6 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -86.73 -39.49 15.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.762 0.315 . . . . 0.0 111.313 -179.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 95' ' ' SER . . . . . 0.52 ' CB ' HD11 ' A' ' 33' ' ' LEU . 0.8 OUTLIER -79.86 -17.88 52.11 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -179.293 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . 0.993 HD22 HD22 ' B' ' 110' ' ' LEU . 0.2 OUTLIER -39.47 -52.33 2.12 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -179.366 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 97' ' ' GLU . . . . . 0.405 ' HA ' ' CD1' ' B' ' 110' ' ' LEU . 70.4 mt-10 -68.33 -28.86 67.51 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.3 -179.466 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . 0.827 ' O ' ' HB3' ' B' ' 101' ' ' ALA . 0.1 OUTLIER -70.19 -34.4 72.89 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 177.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 99' ' ' ILE . . . . . 0.602 HG23 HG21 ' B' ' 103' ' ' THR . 62.1 mt -62.97 -49.97 81.48 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.822 0 CA-C-N 114.57 -1.195 . . . . 0.0 109.653 178.52 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 100' ' ' HIS . . . . . 0.745 ' HB2' HD11 ' B' ' 110' ' ' LEU . 2.2 t-160 -54.9 -34.39 63.04 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 178.08 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 101' ' ' ALA . . . . . 0.827 ' HB3' ' O ' ' B' ' 98' ' ' GLU . . . -56.21 -46.6 79.41 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 114.311 -1.313 . . . . 0.0 111.946 179.349 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 102' ' ' LEU . . . . . 0.661 HD12 HG23 ' B' ' 103' ' ' THR . 0.4 OUTLIER -117.43 30.28 7.39 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.516 -0.765 . . . . 0.0 112.72 -177.591 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 103' ' ' THR . . . . . 0.661 HG23 HD12 ' B' ' 102' ' ' LEU . 44.3 p -145.02 -31.12 0.42 Allowed 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 111.694 0.257 . . . . 0.0 111.694 179.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 3.0 t0 74.85 24.56 1.57 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.058 0.456 . . . . 0.0 110.511 -179.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 105' ' ' SER . . . . . 0.445 ' HB3' ' CZ ' ' A' ' 21' ' ' TYR . 4.0 m -62.31 -14.67 41.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.305 179.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 106' ' ' SER . . . . . 0.423 ' CB ' ' O ' ' B' ' 105' ' ' SER . 4.0 t 80.96 121.82 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.945 0.402 . . . . 0.0 110.968 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -54.15 -29.0 43.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.984 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 22.1 mmtm -56.72 -54.14 49.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.066 0.46 . . . . 0.0 110.354 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 109' ' ' ASP . . . . . 0.636 ' O ' HD12 ' B' ' 113' ' ' LEU . 1.2 m-20 -62.03 -37.61 85.57 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.958 179.125 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 110' ' ' LEU . . . . . 0.993 HD22 HD22 ' B' ' 96' ' ' LEU . 31.2 mt -61.83 -42.47 99.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.267 179.297 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -60.18 -43.27 96.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.573 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 112' ' ' PHE . . . . . 0.542 ' O ' HG23 ' B' ' 116' ' ' VAL . 0.4 OUTLIER -58.84 -42.61 89.69 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.374 179.635 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 113' ' ' LEU . . . . . 0.696 HD11 ' CD1' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -72.18 -33.61 67.8 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.793 -179.864 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 114' ' ' HIS . . . . . 0.962 ' CD2' HD12 ' B' ' 96' ' ' LEU . 36.2 m170 -58.09 -35.9 72.09 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 178.1 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . 0.41 ' HA ' ' HB2' ' B' ' 118' ' ' GLN . 46.5 t -73.2 -40.13 65.01 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.034 178.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 116' ' ' VAL . . . . . 0.915 HG11 ' CB ' ' A' ' 14' ' ' ALA . 66.5 t -61.01 -23.21 29.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.727 178.492 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 117' ' ' PHE . . . . . 0.613 ' CZ ' HD11 ' A' ' 18' ' ' LEU . 6.2 m-30 -106.79 -17.23 14.27 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.684 -179.643 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 118' ' ' GLN . . . . . 0.437 ' NE2' HD11 ' B' ' 93' ' ' LEU . 0.0 OUTLIER -77.69 -30.49 51.92 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.716 0.294 . . . . 0.0 111.352 -179.471 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -48.27 139.06 9.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.918 0.39 . . . . 0.0 111.56 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 5.4 tm0? -80.28 -41.25 25.31 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.681 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 4.5 m170 -56.04 -34.3 65.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.471 179.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . 0.842 HD12 HD12 ' B' ' 125' ' ' LEU . 34.7 tp -56.2 -47.26 78.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.229 179.606 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 123' ' ' HIS . . . . . 0.996 ' HA ' HD12 ' B' ' 126' ' ' LEU . 14.9 m170 -56.67 -23.79 44.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.192 179.058 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 124' ' ' THR . . . . . 0.682 HG23 HD11 ' A' ' 63' ' ' LEU . 6.3 m -74.85 -39.15 61.76 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 178.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . 0.871 HD13 HG12 ' A' ' 53' ' ' ILE . 6.6 mt -70.64 -33.87 71.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.508 178.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . 0.996 HD12 ' HA ' ' B' ' 123' ' ' HIS . 6.1 mt -73.45 -50.38 21.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.633 179.527 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 127' ' ' ASP . . . . . 0.405 ' HA ' ' OD2' ' B' ' 130' ' ' ASP . 6.1 t0 -63.2 -40.29 97.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.713 179.699 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . 0.858 HD21 ' CD2' ' C' ' 59' ' ' TYR . 46.6 mt -72.89 -33.63 66.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.008 179.452 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 129' ' ' TYR . . . . . 0.451 ' CE1' ' CB ' ' A' ' 46' ' ' SER . 11.4 t80 -56.04 -47.04 78.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.119 179.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 130' ' ' ASP . . . . . 0.866 ' OD1' HD22 ' B' ' 82' ' ' LEU . 2.8 p30 -74.79 -34.6 62.44 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.251 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.98 -54.24 45.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.443 -179.334 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 132' ' ' ILE . . . . . 0.887 HG23 ' HB1' ' C' ' 51' ' ' ALA . 1.6 mt -73.59 -37.24 49.43 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 CA-C-O 120.963 0.411 . . . . 0.0 110.765 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 133' ' ' ASN . . . . . 0.724 ' HB2' HD23 ' A' ' 48' ' ' LEU . 11.5 t-20 -68.03 -25.79 65.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.966 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 134' ' ' THR . . . . . 0.576 HG22 ' O ' ' B' ' 134' ' ' THR . 85.1 m -108.75 8.32 26.75 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.203 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 135' ' ' LYS . . . . . 0.452 ' HG3' ' N ' ' B' ' 136' ' ' SER . 0.0 OUTLIER -82.98 -55.04 4.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.909 0.385 . . . . 0.0 110.53 -179.842 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 136' ' ' SER . . . . . 0.452 ' N ' ' HG3' ' B' ' 135' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--N 1.327 -0.411 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.921 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 7' ' ' ARG . . . . . 0.454 ' O ' HG23 ' C' ' 11' ' ' THR . 14.4 ttm105 . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.94 -42.79 99.92 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 121.216 0.531 . . . . 0.0 109.661 178.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 52.6 mm-40 -75.59 -32.13 60.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.163 179.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -75.12 -29.91 60.68 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.388 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 11' ' ' THR . . . . . 0.454 HG23 ' O ' ' C' ' 7' ' ' ARG . 6.2 p -72.35 -47.98 45.35 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.352 179.635 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 12' ' ' GLN . . . . . 0.492 ' HA ' HD23 ' C' ' 15' ' ' LEU . 0.9 OUTLIER -63.78 -36.36 83.64 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 120.874 -0.331 . . . . 0.0 110.354 179.637 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 5.4 ttt180 -73.32 -25.89 60.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.082 179.128 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 14' ' ' ALA . . . . . 0.932 ' CB ' HG11 ' D' ' 116' ' ' VAL . . . -78.61 -54.94 5.59 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 178.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 15' ' ' LEU . . . . . 0.796 ' O ' HD12 ' C' ' 41' ' ' ILE . 0.3 OUTLIER -62.88 -28.68 70.21 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.82 179.371 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 16' ' ' HIS . . . . . . . . . . . . . 20.1 t60 -73.34 -44.26 59.14 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 178.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . 0.792 HD22 ' CE1' ' C' ' 21' ' ' TYR . 2.5 mt -61.89 -45.41 93.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.904 179.185 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . 0.753 ' HB3' HD11 ' C' ' 41' ' ' ILE . 10.5 mt -58.76 -40.39 83.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.41 179.528 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.54 -47.62 81.53 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.734 179.662 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -69.18 -32.71 72.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.831 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 21' ' ' TYR . . . . . 0.792 ' CE1' HD22 ' C' ' 17' ' ' LEU . 11.6 m-30 -65.35 -47.9 74.87 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.873 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 22' ' ' ARG . . . . . 0.503 ' HA ' HD12 ' C' ' 37' ' ' ILE . 4.1 ptm180 -59.98 -43.2 95.28 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-O 120.87 0.367 . . . . 0.0 110.608 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.26 -40.2 73.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.359 179.266 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 24' ' ' LYS . . . . . 0.478 ' O ' HG22 ' D' ' 103' ' ' THR . 6.9 ptmt -98.96 6.16 46.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.549 179.595 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 25' ' ' LEU . . . . . 0.95 HD12 HD11 ' C' ' 37' ' ' ILE . 0.4 OUTLIER -94.44 -67.76 0.84 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.931 0.396 . . . . 0.0 111.099 -179.841 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . 0.419 ' HB3' ' HB2' ' C' ' 34' ' ' ARG . 1.6 p -59.79 -160.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.935 -179.462 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 27' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 59.28 30.05 19.72 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.567 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 28' ' ' THR . . . . . 0.671 HG23 ' H ' ' C' ' 29' ' ' GLU . 4.5 t -152.14 -59.3 0.15 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.99 -179.546 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 29' ' ' GLU . . . . . 0.671 ' H ' HG23 ' C' ' 28' ' ' THR . 18.4 pt-20 -176.67 28.36 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.263 -0.88 . . . . 0.0 111.305 -179.378 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -145.52 49.41 1.24 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.916 0.389 . . . . 0.0 111.007 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.23 -55.15 27.35 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.406 0.622 . . . . 0.0 110.562 179.735 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -52.95 -47.88 67.77 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.622 178.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 33' ' ' LEU . . . . . 0.604 HD11 ' CB ' ' D' ' 95' ' ' SER . 14.9 tp -55.95 -32.26 63.68 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.826 178.698 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 34' ' ' ARG . . . . . 0.419 ' HB2' ' HB3' ' C' ' 26' ' ' SER . 7.6 ttp180 -60.77 -43.12 98.44 Favored 'General case' 0 CA--C 1.518 -0.257 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 178.605 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 35' ' ' SER . . . . . 0.536 ' O ' ' HG3' ' C' ' 38' ' ' GLU . 3.5 t -60.99 -34.1 74.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.388 -0.823 . . . . 0.0 109.813 178.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 36' ' ' SER . . . . . 0.552 ' O ' ' HB2' ' C' ' 39' ' ' ARG . 0.9 OUTLIER -62.74 -46.07 89.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.638 179.431 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 37' ' ' ILE . . . . . 0.95 HD11 HD12 ' C' ' 25' ' ' LEU . 44.7 mt -60.02 -49.77 82.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.074 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 38' ' ' GLU . . . . . 0.536 ' HG3' ' O ' ' C' ' 35' ' ' SER . 6.2 pt-20 -58.74 -31.42 68.31 Favored 'General case' 0 CA--C 1.519 -0.234 0 N-CA-C 110.175 -0.306 . . . . 0.0 110.175 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 39' ' ' ARG . . . . . 0.552 ' HB2' ' O ' ' C' ' 36' ' ' SER . 7.1 mtt180 -57.04 -54.52 45.86 Favored 'General case' 0 CA--C 1.514 -0.413 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 178.061 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . 0.534 ' O ' ' HB2' ' C' ' 44' ' ' PHE . 41.2 t -60.76 -30.9 48.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 114.875 -1.057 . . . . 0.0 110.386 179.221 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 41' ' ' ILE . . . . . 0.796 HD12 ' O ' ' C' ' 15' ' ' LEU . 4.3 mm -68.82 -51.4 45.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.778 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 13.6 t -68.12 -47.03 69.27 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-O 120.823 0.344 . . . . 0.0 111.195 -179.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 43' ' ' ILE . . . . . . . . . . . . . 6.0 mt -59.64 -33.69 52.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.395 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 44' ' ' PHE . . . . . 0.744 ' HB3' HD22 ' C' ' 15' ' ' LEU . 2.8 m-85 -72.63 -57.18 4.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.982 -0.554 . . . . 0.0 112.019 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 45' ' ' GLN . . . . . 0.419 ' HG2' ' O ' ' C' ' 41' ' ' ILE . 4.7 pt20 -77.65 -2.97 38.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.263 -178.126 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.19 151.77 1.95 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.917 0.389 . . . . 0.0 111.309 -179.718 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.89 -39.41 90.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.107 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . 0.703 HD12 ' HA ' ' D' ' 129' ' ' TYR . 0.4 OUTLIER -71.63 -42.42 67.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.147 179.853 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 49' ' ' PHE . . . . . 0.635 ' HA ' HD11 ' C' ' 52' ' ' LEU . 12.1 t80 -50.71 -56.28 12.69 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.128 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -56.7 -22.71 36.97 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.981 0.42 . . . . 0.0 110.389 179.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 51' ' ' ALA . . . . . 0.887 ' HB1' HG23 ' B' ' 132' ' ' ILE . . . -68.16 -53.48 24.76 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.982 -0.553 . . . . 0.0 112.482 -179.33 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 52' ' ' LEU . . . . . 0.992 ' H ' HD13 ' C' ' 52' ' ' LEU . 0.0 OUTLIER -68.38 -30.5 69.45 Favored 'General case' 0 N--CA 1.461 0.111 0 C-N-CA 119.733 -0.787 . . . . 0.0 111.182 -179.406 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 53' ' ' ILE . . . . . 0.702 ' N ' HD22 ' C' ' 52' ' ' LEU . 23.5 mt -62.61 -43.48 98.54 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 178.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.84 -39.03 93.11 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.64 178.717 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 55' ' ' ILE . . . . . 0.61 HG22 ' HB2' ' C' ' 59' ' ' TYR . 71.3 mt -61.41 -45.36 98.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.338 179.166 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 56' ' ' GLN . . . . . 0.511 ' NE2' HD21 ' D' ' 125' ' ' LEU . 1.4 mt-30 -50.96 -23.25 2.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.554 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 57' ' ' GLU . . . . . 0.421 ' O ' ' CD2' ' C' ' 58' ' ' PHE . 6.2 mm-40 -44.48 -37.74 3.67 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 120.8 0.334 . . . . 0.0 111.393 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 58' ' ' PHE . . . . . 0.421 ' CD2' ' O ' ' C' ' 57' ' ' GLU . 74.3 m-85 -156.64 31.58 0.32 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.389 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 59' ' ' TYR . . . . . 0.858 ' CD2' HD21 ' B' ' 128' ' ' LEU . 19.6 m-85 -135.18 71.89 1.44 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.618 179.667 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 60' ' ' GLU . . . . . 0.428 ' HB2' ' HB ' ' A' ' 62' ' ' THR . 1.7 mm-40 -57.73 100.45 0.05 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.849 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 61' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -72.39 96.93 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 121.013 0.435 . . . . 0.0 110.724 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 62' ' ' THR . . . . . 0.427 HG22 ' O ' ' C' ' 62' ' ' THR . 16.3 m -83.24 87.94 6.94 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.008 -179.596 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 63' ' ' LEU . . . . . 0.638 HD12 ' CE1' ' A' ' 59' ' ' TYR . 1.1 tt -65.25 144.82 56.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.202 179.411 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 64' ' ' LEU . . . . . 0.607 HD23 ' N ' ' C' ' 64' ' ' LEU . 0.3 OUTLIER . . . . . 0 CA--C 1.532 0.268 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 -178.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 82' ' ' LEU . . . . . 0.827 HD23 ' O ' ' D' ' 82' ' ' LEU . 9.4 tt . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.771 0.319 . . . . 0.0 111.415 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 83' ' ' LEU . . . . . 0.956 HD23 ' H ' ' D' ' 84' ' ' ALA . 0.4 OUTLIER -81.98 -43.21 18.33 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-O 120.873 0.368 . . . . 0.0 111.056 -179.179 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' D' D ' 84' ' ' ALA . . . . . 0.956 ' H ' HD23 ' D' ' 83' ' ' LEU . . . -70.14 -24.03 63.11 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.696 -179.302 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 85' ' ' ALA . . . . . 0.92 ' HB1' ' CB ' ' D' ' 126' ' ' LEU . . . -53.34 -27.25 22.44 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.204 0.526 . . . . 0.0 110.272 179.155 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 86' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -122.39 -41.51 2.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.529 -0.759 . . . . 0.0 109.713 178.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 87' ' ' ARG . . . . . 0.644 ' HB3' ' O ' ' D' ' 83' ' ' LEU . 17.3 ttt180 -62.01 -48.72 79.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.071 179.044 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 88' ' ' ALA . . . . . 0.771 ' HB3' ' O ' ' D' ' 84' ' ' ALA . . . -66.53 -42.5 87.14 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.116 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 89' ' ' VAL . . . . . 0.726 HG13 ' CD1' ' D' ' 117' ' ' PHE . 45.2 t -66.4 -41.99 89.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.02 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 12.1 t -75.54 -38.97 58.93 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.723 -179.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 91' ' ' GLN . . . . . 0.436 ' NE2' ' HA ' ' D' ' 88' ' ' ALA . 5.5 pt20 -67.61 -50.36 58.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.059 0.456 . . . . 0.0 109.932 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 92' ' ' VAL . . . . . 0.653 HG23 ' O ' ' D' ' 88' ' ' ALA . 44.0 t -65.45 -27.71 42.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.378 178.098 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 93' ' ' LEU . . . . . 0.652 HD21 ' HA ' ' D' ' 114' ' ' HIS . 2.1 mt -61.72 -45.69 92.86 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.197 179.409 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -76.22 -24.77 54.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.903 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 95' ' ' SER . . . . . 0.604 ' CB ' HD11 ' C' ' 33' ' ' LEU . 13.6 p -77.75 -28.27 50.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.583 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 96' ' ' LEU . . . . . 0.838 HD22 HD22 ' D' ' 110' ' ' LEU . 0.2 OUTLIER -38.36 -52.57 1.53 Allowed 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -179.218 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -70.14 -29.86 66.88 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.957 0.408 . . . . 0.0 111.151 -179.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 98' ' ' GLU . . . . . 0.821 ' O ' ' HB3' ' D' ' 101' ' ' ALA . 0.0 OUTLIER -69.63 -33.07 72.12 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 177.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' D' D ' 99' ' ' ILE . . . . . 0.507 HG23 HG21 ' D' ' 103' ' ' THR . 47.3 mt -64.12 -49.41 81.5 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.834 0 CA-C-N 114.605 -1.179 . . . . 0.0 109.678 178.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 100' ' ' HIS . . . . . 0.865 ' HB2' HD11 ' D' ' 110' ' ' LEU . 1.8 t-160 -55.63 -33.17 63.77 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 178.057 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 101' ' ' ALA . . . . . 0.821 ' HB3' ' O ' ' D' ' 98' ' ' GLU . . . -57.51 -46.57 83.63 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 114.403 -1.272 . . . . 0.0 111.949 179.345 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 102' ' ' LEU . . . . . 0.684 HD12 HG23 ' D' ' 103' ' ' THR . 0.4 OUTLIER -117.25 30.8 7.1 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -177.438 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' D' D ' 103' ' ' THR . . . . . 0.684 HG23 HD12 ' D' ' 102' ' ' LEU . 37.9 p -147.33 -33.24 0.28 Allowed 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.85 -0.34 . . . . 0.0 111.453 179.422 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 68.26 28.6 6.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.936 0.398 . . . . 0.0 110.447 -179.59 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 105' ' ' SER . . . . . 0.421 ' HB3' ' CE1' ' C' ' 21' ' ' TYR . 12.2 m -52.19 -77.36 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.903 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 106' ' ' SER . . . . . . . . . . . . . 1.4 m 173.55 106.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.573 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -49.82 -37.97 32.72 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.882 0.372 . . . . 0.0 110.722 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.44 -45.94 81.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.857 179.161 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 109' ' ' ASP . . . . . 0.593 ' O ' HD12 ' D' ' 113' ' ' LEU . 5.4 m-20 -62.44 -37.3 85.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.88 179.121 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 110' ' ' LEU . . . . . 0.865 HD11 ' HB2' ' D' ' 100' ' ' HIS . 14.1 mt -59.04 -47.48 85.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.153 179.312 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 111' ' ' ASP . . . . . 0.465 ' HA ' ' HD2' ' D' ' 114' ' ' HIS . 2.3 m-20 -59.19 -40.32 85.35 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.749 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 112' ' ' PHE . . . . . 0.707 ' O ' HG23 ' D' ' 116' ' ' VAL . 2.8 t80 -58.51 -42.01 86.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.517 179.749 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 113' ' ' LEU . . . . . 0.682 ' HB2' HD11 ' D' ' 96' ' ' LEU . 0.5 OUTLIER -72.09 -32.1 66.71 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.006 -179.832 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' D' D ' 114' ' ' HIS . . . . . 0.652 ' HA ' HD21 ' D' ' 93' ' ' LEU . 0.0 OUTLIER -59.7 -36.51 76.66 Favored 'General case' 0 CA--C 1.516 -0.332 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 178.427 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' D' D ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.25 -35.95 63.83 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 178.449 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 116' ' ' VAL . . . . . 0.932 HG11 ' CB ' ' C' ' 14' ' ' ALA . 72.7 t -61.79 -23.38 31.0 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.241 178.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 117' ' ' PHE . . . . . 0.726 ' CD1' HG13 ' D' ' 89' ' ' VAL . 38.6 m-85 -105.98 -28.65 10.43 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.412 -179.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 118' ' ' GLN . . . . . 0.427 ' NE2' HD11 ' D' ' 93' ' ' LEU . 0.0 OUTLIER -67.56 -28.41 67.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.37 -179.427 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -44.45 123.7 3.71 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.635 -179.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 120' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -64.54 -48.78 73.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.719 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 121' ' ' HIS . . . . . 0.404 ' O ' ' HG ' ' D' ' 125' ' ' LEU . 16.4 m170 -55.9 -34.3 65.43 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.681 179.684 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 122' ' ' LEU . . . . . 0.857 HD22 ' O ' ' D' ' 116' ' ' VAL . 36.6 tp -56.0 -47.95 76.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.31 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 123' ' ' HIS . . . . . 0.662 ' HA ' HD12 ' D' ' 126' ' ' LEU . 12.8 m170 -53.88 -26.36 24.44 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.059 0.457 . . . . 0.0 110.139 178.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 124' ' ' THR . . . . . 0.532 HG22 HD11 ' D' ' 128' ' ' LEU . 10.5 m -78.51 -30.49 47.16 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.526 178.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 125' ' ' LEU . . . . . 0.794 HD12 HD12 ' D' ' 122' ' ' LEU . 62.5 mt -66.45 -47.16 74.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.179 -0.919 . . . . 0.0 111.133 179.7 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 126' ' ' LEU . . . . . 0.92 ' CB ' ' HB1' ' D' ' 85' ' ' ALA . 0.1 OUTLIER -73.11 -37.58 66.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.902 0.382 . . . . 0.0 110.797 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' D' D ' 127' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -58.99 -49.77 76.62 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.103 0.478 . . . . 0.0 110.182 179.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 128' ' ' LEU . . . . . 0.663 HD21 ' CE1' ' A' ' 59' ' ' TYR . 12.4 mt -71.0 -28.81 64.69 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.11 179.118 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 129' ' ' TYR . . . . . 0.703 ' HA ' HD12 ' C' ' 48' ' ' LEU . 13.1 t80 -54.87 -52.93 61.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.911 -179.383 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 130' ' ' ASP . . . . . 0.448 ' OD2' ' HB2' ' D' ' 82' ' ' LEU . 4.0 t70 -77.51 -31.27 53.37 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.08 179.137 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.68 -51.99 63.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.081 -179.459 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 132' ' ' ILE . . . . . 0.431 HG23 ' HB1' ' A' ' 51' ' ' ALA . 3.1 mt -78.57 -38.44 22.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.968 0.414 . . . . 0.0 111.149 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 133' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.367 -179.395 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.237 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.0 tttm -64.13 -37.82 88.85 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 121.111 0.481 . . . . 0.0 109.739 179.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 59.3 mm-40 -77.46 -27.21 51.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.099 178.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.461 ' HB3' HG22 ' B' ' 116' ' ' VAL . 12.7 m-20 -79.25 -33.07 43.9 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.487 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.4 p -74.85 -40.36 61.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.568 179.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.463 ' HA ' HD23 ' A' ' 15' ' ' LEU . 0.7 OUTLIER -70.98 -36.55 72.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.167 179.341 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.85 -26.4 60.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.864 179.03 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.943 ' CB ' HG11 ' B' ' 116' ' ' VAL . . . -78.41 -54.73 5.86 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 178.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.722 HD22 ' HB3' ' A' ' 44' ' ' PHE . 0.3 OUTLIER -61.11 -25.18 66.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.478 179.052 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.9 m170 -73.42 -47.02 45.06 Favored 'General case' 0 CA--C 1.518 -0.25 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 178.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.933 HD22 ' CE1' ' A' ' 21' ' ' TYR . 3.5 mt -62.34 -33.43 74.69 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.635 -0.712 . . . . 0.0 109.564 178.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.857 ' CD2' HG11 ' B' ' 92' ' ' VAL . 27.5 mt -63.84 -50.19 69.87 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.024 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.418 ' O ' ' HG2' ' A' ' 22' ' ' ARG . 0.2 OUTLIER -61.35 -34.32 75.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.146 -179.815 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.423 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 0.5 OUTLIER -74.38 -41.38 61.07 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.243 179.821 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.933 ' CE1' HD22 ' A' ' 17' ' ' LEU . 10.2 m-30 -65.31 -49.26 70.14 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.188 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.432 ' HG3' ' N ' ' A' ' 23' ' ' SER . 3.4 ptm180 -55.85 -40.76 73.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.961 0.41 . . . . 0.0 110.441 179.248 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.432 ' N ' ' HG3' ' A' ' 22' ' ' ARG . 0.2 OUTLIER -61.33 -34.24 74.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.684 179.457 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -115.4 21.58 13.95 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.879 0.371 . . . . 0.0 111.536 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.717 ' CD1' HD11 ' A' ' 37' ' ' ILE . 0.0 OUTLIER -112.18 -53.5 2.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.9 -179.77 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.539 ' CB ' ' HB2' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -71.94 -19.26 61.93 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.999 -178.929 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.438 ' OE1' ' NH1' ' A' ' 31' ' ' ARG . 0.2 OUTLIER -72.71 58.0 0.43 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.919 0.39 . . . . 0.0 110.784 -179.68 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.622 HG23 ' N ' ' A' ' 29' ' ' GLU . 8.5 t -175.8 -57.21 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.682 -179.744 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.622 ' N ' HG23 ' A' ' 28' ' ' THR . 16.8 pt-20 -173.19 29.33 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.907 -179.123 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.466 ' O ' ' HB2' ' A' ' 26' ' ' SER . 1.2 m-20 -139.13 44.56 2.01 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.938 0.399 . . . . 0.0 111.41 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.494 ' HA ' ' HB2' ' A' ' 26' ' ' SER . 17.0 mmm180 -54.55 -53.14 58.39 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 121.135 0.493 . . . . 0.0 110.671 179.726 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -55.62 -41.89 74.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.969 179.252 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.454 HD11 ' CB ' ' B' ' 95' ' ' SER . 4.2 tp -57.31 -32.63 66.87 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.245 179.147 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.582 ' HA ' HD12 ' A' ' 37' ' ' ILE . 4.2 ttp180 -63.37 -47.68 81.07 Favored 'General case' 0 CA--C 1.515 -0.38 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 178.592 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.2 m -54.71 -36.5 64.78 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.844 -1.071 . . . . 0.0 111.073 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.524 ' HB3' ' NE2' ' B' ' 91' ' ' GLN . 1.0 OUTLIER -70.57 -48.24 56.26 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.981 0.42 . . . . 0.0 110.105 179.507 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.72 HG23 HD22 ' A' ' 18' ' ' LEU . 9.1 mt -60.61 -36.45 70.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.302 0.572 . . . . 0.0 109.823 178.64 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.402 ' HG2' ' NE ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -64.82 -52.18 58.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.006 -0.997 . . . . 0.0 112.168 -179.334 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.428 ' HG2' ' O ' ' A' ' 36' ' ' SER . 5.9 ptp180 -55.76 -38.57 70.03 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.527 -0.469 . . . . 0.0 109.937 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.518 HG12 ' CD1' ' A' ' 44' ' ' PHE . 95.5 t -61.98 -41.61 91.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 178.3 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.689 HD12 ' O ' ' A' ' 15' ' ' LEU . 9.7 mm -54.8 -54.72 20.55 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.481 179.595 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 18.5 p -60.86 -47.84 84.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.854 0.359 . . . . 0.0 110.724 -179.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.737 HG23 ' CE2' ' B' ' 129' ' ' TYR . 13.2 mt -59.68 -34.82 56.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.082 179.17 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.722 ' HB3' HD22 ' A' ' 15' ' ' LEU . 1.5 m-85 -72.43 -56.69 5.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.928 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -79.88 -1.36 38.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.752 -178.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.489 ' CB ' ' CE1' ' B' ' 129' ' ' TYR . 0.4 OUTLIER -49.19 136.73 14.76 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.828 0.347 . . . . 0.0 111.086 -179.893 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -55.52 -34.46 64.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.108 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.764 ' O ' HD12 ' A' ' 48' ' ' LEU . 2.0 tp -79.48 -45.04 20.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.959 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.609 ' CE1' HD23 ' B' ' 126' ' ' LEU . 55.0 t80 -51.04 -52.24 45.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.157 -179.635 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -58.25 -34.95 71.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.901 0.381 . . . . 0.0 110.507 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' A' ' 48' ' ' LEU . . . -59.72 -46.21 89.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.682 179.622 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.434 HD13 ' O ' ' B' ' 125' ' ' LEU . 3.5 mt -61.34 -44.85 96.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.289 179.536 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.803 HG12 HD13 ' B' ' 125' ' ' LEU . 56.3 mt -53.46 -40.27 40.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.665 179.505 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.99 -41.26 91.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.46 179.577 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.766 HG22 ' HB2' ' A' ' 59' ' ' TYR . 55.5 mt -58.77 -34.05 50.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.873 179.643 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -54.03 -20.98 7.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.843 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.411 ' O ' ' CG ' ' A' ' 58' ' ' PHE . 0.2 OUTLIER -46.7 -38.18 9.48 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-O 120.655 0.264 . . . . 0.0 111.493 -179.729 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.411 ' CG ' ' O ' ' A' ' 57' ' ' GLU . 94.5 m-85 -157.52 38.8 0.28 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.65 -179.69 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.915 ' CD2' HD21 ' D' ' 128' ' ' LEU . 57.4 m-85 -139.16 75.42 1.51 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.747 179.653 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.433 ' HG3' HD22 ' C' ' 64' ' ' LEU . 2.8 mt-10 -65.37 90.72 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.662 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.648 HG23 HG21 ' B' ' 124' ' ' THR . 0.0 OUTLIER -72.62 104.51 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.958 0.409 . . . . 0.0 111.015 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.2 m -88.86 107.81 19.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.652 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.529 HD12 HG23 ' B' ' 124' ' ' THR . 0.1 OUTLIER -77.1 142.09 39.93 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.49 179.689 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.697 ' N ' HD23 ' A' ' 64' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.346 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -179.609 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . 0.834 ' N ' HD23 ' B' ' 82' ' ' LEU . 0.3 OUTLIER . . . . . 0 CA--C 1.521 -0.142 0 CA-C-O 121.543 0.687 . . . . 0.0 109.894 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . 1.147 HD23 ' H ' ' B' ' 84' ' ' ALA . 0.0 OUTLIER -50.33 -57.42 7.94 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 114.858 -1.064 . . . . 0.0 112.458 -178.537 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 1.147 ' H ' HD23 ' B' ' 83' ' ' LEU . . . -69.37 -26.46 64.68 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.789 -178.549 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 85' ' ' ALA . . . . . 0.934 ' HB1' ' HB3' ' B' ' 126' ' ' LEU . . . -53.12 -25.36 12.93 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.073 0.463 . . . . 0.0 110.245 179.682 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.36 -44.51 1.71 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.02 178.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 87' ' ' ARG . . . . . 0.806 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 9.5 ttt85 -57.67 -48.44 79.49 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.092 179.045 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . 0.724 ' HB3' ' O ' ' B' ' 84' ' ' ALA . . . -57.44 -47.77 80.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.24 -179.485 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 89' ' ' VAL . . . . . 0.502 HG12 ' HB3' ' B' ' 117' ' ' PHE . 31.3 t -62.94 -29.77 47.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.825 179.562 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.18 -25.88 55.63 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.214 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 91' ' ' GLN . . . . . 0.603 ' HG3' ' O ' ' B' ' 87' ' ' ARG . 1.8 mt-30 -72.19 -50.04 30.78 Favored 'General case' 0 CA--C 1.517 -0.326 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 179.387 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 92' ' ' VAL . . . . . 0.857 HG11 ' CD2' ' A' ' 18' ' ' LEU . 2.7 t -68.27 -27.92 38.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.971 178.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 93' ' ' LEU . . . . . 0.721 HD21 ' HA ' ' B' ' 114' ' ' HIS . 3.5 mt -67.91 -39.14 83.61 Favored 'General case' 0 C--O 1.231 0.096 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.166 179.581 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -79.25 -33.16 43.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.017 0.437 . . . . 0.0 110.638 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 95' ' ' SER . . . . . 0.454 ' CB ' HD11 ' A' ' 33' ' ' LEU . 0.5 OUTLIER -79.15 -20.4 48.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.273 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . 0.867 HD13 ' HB3' ' B' ' 110' ' ' LEU . 0.1 OUTLIER -38.2 -52.15 1.46 Allowed 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -179.552 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -68.17 -31.06 70.34 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 -179.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . 0.761 ' O ' ' HB3' ' B' ' 101' ' ' ALA . 0.0 OUTLIER -69.92 -35.75 74.8 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.12 -1.066 . . . . 0.0 108.12 178.111 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 99' ' ' ILE . . . . . 0.506 HG12 ' CD1' ' A' ' 25' ' ' LEU . 34.7 mt -59.25 -47.69 89.51 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.705 0 CA-C-N 114.481 -1.236 . . . . 0.0 109.844 178.519 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 100' ' ' HIS . . . . . 0.863 ' HB2' HD11 ' B' ' 110' ' ' LEU . 7.4 t-160 -56.04 -41.18 74.62 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-O 122.025 0.917 . . . . 0.0 108.594 178.01 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 101' ' ' ALA . . . . . 0.761 ' HB3' ' O ' ' B' ' 98' ' ' GLU . . . -51.04 -41.79 60.09 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 113.966 -1.47 . . . . 0.0 111.826 179.368 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 102' ' ' LEU . . . . . 0.65 HD13 HD23 ' A' ' 25' ' ' LEU . 0.4 OUTLIER -122.91 35.71 4.82 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 -177.436 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 103' ' ' THR . . . . . 0.628 HG23 HD12 ' B' ' 102' ' ' LEU . 43.7 p -153.5 -35.45 0.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.762 179.395 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 24.4 t0 74.01 27.35 1.62 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.066 0.46 . . . . 0.0 110.333 -179.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 105' ' ' SER . . . . . 0.413 ' O ' ' CB ' ' B' ' 106' ' ' SER . 4.0 m -60.27 -16.02 30.25 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.471 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 106' ' ' SER . . . . . 0.413 ' CB ' ' O ' ' B' ' 105' ' ' SER . 0.7 OUTLIER 80.03 127.74 0.05 OUTLIER 'General case' 0 C--O 1.232 0.167 0 CA-C-O 120.871 0.367 . . . . 0.0 110.691 -179.786 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . 0.756 ' HA ' HD12 ' B' ' 110' ' ' LEU . 0.3 OUTLIER -56.34 -22.53 31.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.262 -179.746 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.95 -55.23 35.43 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.016 0.436 . . . . 0.0 110.171 179.587 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 109' ' ' ASP . . . . . 0.608 ' O ' HD12 ' B' ' 113' ' ' LEU . 28.9 m-20 -63.39 -39.81 95.51 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.644 178.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 110' ' ' LEU . . . . . 0.867 ' HB3' HD13 ' B' ' 96' ' ' LEU . 59.6 mt -60.52 -41.05 93.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.272 179.233 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 111' ' ' ASP . . . . . 0.49 ' HA ' ' HD2' ' B' ' 114' ' ' HIS . 16.2 t70 -61.24 -44.98 96.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.914 -179.555 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 112' ' ' PHE . . . . . 0.688 ' O ' HG23 ' B' ' 116' ' ' VAL . 5.6 t80 -58.69 -39.86 81.94 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.628 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 113' ' ' LEU . . . . . 0.714 HD11 ' CD1' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -75.35 -27.97 59.41 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.055 -179.737 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 114' ' ' HIS . . . . . 0.721 ' HA ' HD21 ' B' ' 93' ' ' LEU . 0.0 OUTLIER -64.41 -35.84 82.2 Favored 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 178.386 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 3.4 m -75.7 -36.91 59.89 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 178.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 116' ' ' VAL . . . . . 0.943 HG11 ' CB ' ' A' ' 14' ' ' ALA . 54.5 t -63.76 -23.48 33.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.83 178.46 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 117' ' ' PHE . . . . . 0.599 ' CZ ' HD11 ' A' ' 18' ' ' LEU . 20.9 m-85 -101.11 -31.95 10.81 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.365 -179.744 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 118' ' ' GLN . . . . . 0.517 ' NE2' HD11 ' B' ' 93' ' ' LEU . 0.0 OUTLIER -67.65 -28.13 67.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.456 -179.329 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -44.02 114.94 0.74 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.697 -179.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.85 -44.99 95.72 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.54 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 30.9 m80 -56.46 -34.36 66.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.479 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . 0.872 HD12 HD12 ' B' ' 125' ' ' LEU . 37.5 tp -56.1 -48.47 76.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.304 179.658 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 123' ' ' HIS . . . . . 0.988 ' HA ' HD12 ' B' ' 126' ' ' LEU . 50.6 m170 -53.6 -27.26 25.73 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.88 178.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 124' ' ' THR . . . . . 0.648 HG21 HG23 ' A' ' 61' ' ' VAL . 1.7 m -73.84 -37.22 64.88 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.335 178.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . 0.872 HD12 HD12 ' B' ' 122' ' ' LEU . 3.1 mt -73.01 -32.4 65.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.586 178.627 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . 0.988 HD12 ' HA ' ' B' ' 123' ' ' HIS . 5.1 mt -72.99 -46.53 51.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.143 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.74 -49.97 64.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.085 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . 0.894 HD21 ' CD2' ' C' ' 59' ' ' TYR . 32.8 mt -60.87 -37.9 83.73 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.564 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 129' ' ' TYR . . . . . 0.737 ' CE2' HG23 ' A' ' 43' ' ' ILE . 0.5 OUTLIER -59.51 -50.9 72.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.079 -179.673 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 130' ' ' ASP . . . . . 0.857 ' OD2' ' HB2' ' B' ' 85' ' ' ALA . 27.7 m-20 -75.36 -17.23 60.28 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.687 -179.433 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.22 -52.08 11.77 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.722 0.296 . . . . 0.0 110.8 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 132' ' ' ILE . . . . . 0.693 HD12 ' O ' ' B' ' 128' ' ' LEU . 2.5 mt -71.16 -35.52 58.78 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 CA-C-O 120.925 0.393 . . . . 0.0 110.546 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 133' ' ' ASN . . . . . 0.469 ' HB2' HD23 ' A' ' 48' ' ' LEU . 62.3 t30 -60.84 -25.1 66.38 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.977 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 54.5 m -84.43 -26.32 28.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.698 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 135' ' ' LYS . . . . . 0.47 ' HG2' ' HB2' ' C' ' 51' ' ' ALA . 0.0 OUTLIER -92.31 -30.71 15.69 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.501 179.932 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 19.3 m . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.101 -179.826 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.232 0 CA-C-O 120.527 0.203 . . . . 0.0 110.48 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 8' ' ' LYS . . . . . 0.443 ' HG2' HG21 ' C' ' 53' ' ' ILE . 17.1 mttt -66.65 -36.9 83.66 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 121.24 0.543 . . . . 0.0 109.589 178.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 24.2 mm-40 -78.13 -28.32 48.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.905 178.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -80.82 -30.71 35.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.198 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 3.1 p -73.08 -42.25 63.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.19 179.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 12' ' ' GLN . . . . . 0.459 ' HA ' HD23 ' C' ' 15' ' ' LEU . 0.3 OUTLIER -68.22 -43.39 78.07 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.063 179.265 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 2.9 ttp180 -67.33 -25.58 66.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.987 179.009 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 14' ' ' ALA . . . . . 0.78 ' CB ' HG11 ' D' ' 116' ' ' VAL . . . -78.49 -55.24 5.37 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 121.234 0.54 . . . . 0.0 109.685 178.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 15' ' ' LEU . . . . . 0.761 HD22 ' HB3' ' C' ' 44' ' ' PHE . 0.3 OUTLIER -63.06 -29.14 70.58 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.701 179.152 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 16' ' ' HIS . . . . . . . . . . . . . 31.6 t60 -71.13 -46.49 61.5 Favored 'General case' 0 CA--C 1.518 -0.267 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 178.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . 0.71 ' CD1' HD11 ' D' ' 113' ' ' LEU . 1.9 mt -60.64 -36.32 78.36 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.187 178.386 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . 0.934 ' CD2' HG11 ' D' ' 92' ' ' VAL . 39.0 mt -59.01 -45.54 90.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 114.98 -1.009 . . . . 0.0 110.428 179.44 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 19' ' ' GLU . . . . . 0.407 ' O ' ' HG2' ' C' ' 22' ' ' ARG . 2.6 mt-10 -59.4 -42.66 92.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.18 0.514 . . . . 0.0 110.694 179.681 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.1 -36.36 72.17 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.051 179.53 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 21' ' ' TYR . . . . . 0.613 ' CZ ' HD22 ' C' ' 17' ' ' LEU . 11.4 m-30 -66.28 -46.12 78.11 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.815 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 22' ' ' ARG . . . . . 0.523 ' HA ' HD12 ' C' ' 37' ' ' ILE . 0.2 OUTLIER -60.41 -38.65 84.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.913 0.387 . . . . 0.0 110.487 179.551 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 24.4 p -58.44 -48.18 81.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.037 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 24' ' ' LYS . . . . . 0.454 ' HG2' ' H ' ' C' ' 24' ' ' LYS . 2.8 ptpt -80.3 -32.1 38.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.006 0.431 . . . . 0.0 111.382 -179.767 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 25' ' ' LEU . . . . . 0.795 HD12 HD11 ' C' ' 37' ' ' ILE . 0.5 OUTLIER -61.07 -74.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.396 -179.223 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . 0.492 ' HB2' ' HB2' ' C' ' 34' ' ' ARG . 30.2 t -62.21 -147.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.789 -179.42 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 27' ' ' GLN . . . . . 0.408 ' OE1' ' NH1' ' C' ' 31' ' ' ARG . 0.0 OUTLIER 47.96 27.41 1.17 Allowed 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 120.982 0.42 . . . . 0.0 110.311 -179.467 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 28' ' ' THR . . . . . 0.455 ' CG2' ' N ' ' C' ' 29' ' ' GLU . 2.2 t -153.33 -49.54 0.1 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.766 -179.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 29' ' ' GLU . . . . . 0.455 ' N ' ' CG2' ' C' ' 28' ' ' THR . 8.9 pt-20 -177.15 26.73 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.828 -0.623 . . . . 0.0 111.693 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 30' ' ' ASP . . . . . 0.536 ' CB ' HD22 ' C' ' 25' ' ' LEU . 0.9 OUTLIER -143.9 59.65 1.37 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.163 0.506 . . . . 0.0 111.076 -179.773 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . 0.408 ' NH1' ' OE1' ' C' ' 27' ' ' GLN . 16.0 mmm180 -67.29 -53.06 33.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.382 179.551 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.81 -51.54 69.57 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.774 179.037 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 33' ' ' LEU . . . . . 0.48 HD11 ' CB ' ' D' ' 95' ' ' SER . 11.9 tp -51.49 -34.35 35.37 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.026 178.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 34' ' ' ARG . . . . . 0.492 ' HB2' ' HB2' ' C' ' 26' ' ' SER . 7.6 ttp180 -60.6 -48.39 81.98 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.362 178.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 35' ' ' SER . . . . . 0.402 ' O ' ' HG2' ' C' ' 39' ' ' ARG . 5.9 m -55.01 -33.57 62.72 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.379 179.296 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 36' ' ' SER . . . . . 0.506 ' O ' ' HG2' ' C' ' 39' ' ' ARG . 4.3 m -65.75 -50.39 64.94 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-O 121.027 0.441 . . . . 0.0 110.579 179.512 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 37' ' ' ILE . . . . . 0.795 HD11 HD12 ' C' ' 25' ' ' LEU . 33.9 mt -59.96 -38.2 75.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.202 0.525 . . . . 0.0 109.728 178.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 38' ' ' GLU . . . . . 0.406 ' HA ' HG12 ' C' ' 41' ' ' ILE . 17.4 mt-10 -63.14 -52.01 64.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.939 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 39' ' ' ARG . . . . . 0.605 ' HG3' ' HB1' ' D' ' 88' ' ' ALA . 3.3 ptp180 -55.09 -40.07 70.02 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.232 -179.639 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . 0.516 HG12 ' CD1' ' C' ' 44' ' ' PHE . 93.9 t -61.26 -39.91 84.23 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 178.044 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 41' ' ' ILE . . . . . 0.706 HD11 ' HB3' ' C' ' 18' ' ' LEU . 14.0 mm -54.62 -59.05 2.53 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.286 179.526 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 17.1 t -58.98 -46.7 87.46 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.947 0.403 . . . . 0.0 110.739 -179.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 43' ' ' ILE . . . . . 0.627 HD11 ' HB3' ' D' ' 84' ' ' ALA . 13.1 mt -60.06 -34.46 56.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.148 179.36 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 44' ' ' PHE . . . . . 0.761 ' HB3' HD22 ' C' ' 15' ' ' LEU . 1.3 m-85 -72.26 -57.39 4.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.418 179.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 45' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -77.62 -2.64 36.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.578 -179.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 46' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -46.91 137.39 7.36 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-O 120.947 0.403 . . . . 0.0 111.307 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -59.51 -34.13 72.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.045 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . 0.818 HD21 ' HB ' ' D' ' 132' ' ' ILE . 0.6 OUTLIER -79.45 -47.99 14.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.683 179.927 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 49' ' ' PHE . . . . . 0.652 ' CE1' HD23 ' D' ' 126' ' ' LEU . 54.7 t80 -51.53 -55.93 16.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.276 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 49.9 mm-40 -57.01 -37.2 71.35 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.95 0.405 . . . . 0.0 110.712 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 51' ' ' ALA . . . . . 0.47 ' HB2' ' HG2' ' B' ' 135' ' ' LYS . . . -58.48 -42.3 87.19 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.424 179.524 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 52' ' ' LEU . . . . . 0.445 ' CD2' HD13 ' D' ' 128' ' ' LEU . 1.8 mt -63.03 -44.18 96.64 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 121.21 0.528 . . . . 0.0 110.073 179.14 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 53' ' ' ILE . . . . . 0.774 HG12 HD13 ' D' ' 125' ' ' LEU . 20.7 mt -54.77 -34.84 31.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.446 179.317 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -70.37 -40.45 73.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.256 179.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 55' ' ' ILE . . . . . 0.812 HG22 ' HB2' ' C' ' 59' ' ' TYR . 79.0 mt -57.58 -41.0 78.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.726 179.446 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 56' ' ' GLN . . . . . 0.687 ' NE2' HD21 ' D' ' 125' ' ' LEU . 1.5 tt0 -52.41 -23.86 6.76 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.691 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 57' ' ' GLU . . . . . 0.407 ' O ' ' CD2' ' C' ' 58' ' ' PHE . 77.2 mt-10 -47.84 -30.98 4.5 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.278 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 58' ' ' PHE . . . . . 0.421 ' CA ' ' HG ' ' A' ' 64' ' ' LEU . 63.6 m-85 -158.11 32.6 0.25 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.531 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 59' ' ' TYR . . . . . 0.894 ' CD2' HD21 ' B' ' 128' ' ' LEU . 39.8 m-85 -140.93 89.02 2.22 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.598 179.619 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -73.39 94.15 2.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.683 0.278 . . . . 0.0 110.951 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 61' ' ' VAL . . . . . 0.53 HG23 HG21 ' D' ' 124' ' ' THR . 0.0 OUTLIER -72.89 98.91 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-O 120.921 0.391 . . . . 0.0 110.877 179.811 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 62' ' ' THR . . . . . 0.422 ' O ' HD23 ' C' ' 64' ' ' LEU . 1.7 m -84.6 106.76 16.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.723 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 63' ' ' LEU . . . . . 0.461 HD11 ' OH ' ' A' ' 59' ' ' TYR . 0.2 OUTLIER -81.45 128.43 33.87 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.582 179.733 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 64' ' ' LEU . . . . . 0.707 HD23 ' N ' ' C' ' 64' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.327 -0.392 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.084 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 82' ' ' LEU . . . . . 0.624 ' HA ' ' CG ' ' D' ' 130' ' ' ASP . 5.5 tt . . . . . 0 N--CA 1.451 -0.393 0 CA-C-O 120.834 0.35 . . . . 0.0 111.104 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 83' ' ' LEU . . . . . 0.871 HD23 ' H ' ' D' ' 84' ' ' ALA . 0.0 OUTLIER -67.92 -54.89 15.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.111 0.482 . . . . 0.0 110.811 -179.845 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D ' 84' ' ' ALA . . . . . 0.871 ' H ' HD23 ' D' ' 83' ' ' LEU . . . -68.94 -23.67 64.18 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.276 -0.875 . . . . 0.0 112.008 -178.586 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 85' ' ' ALA . . . . . 0.804 ' HB1' ' HB3' ' D' ' 126' ' ' LEU . . . -52.74 -22.63 5.47 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.163 179.319 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 86' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -129.24 -44.94 1.25 Allowed 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.914 178.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 87' ' ' ARG . . . . . 0.682 ' HB3' ' O ' ' D' ' 83' ' ' LEU . 11.5 ttt85 -58.01 -43.24 86.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.41 179.193 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 88' ' ' ALA . . . . . 0.747 ' HB2' ' HB1' ' D' ' 84' ' ' ALA . . . -59.41 -49.6 77.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.444 -179.526 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 89' ' ' VAL . . . . . 0.803 HG13 ' CD1' ' D' ' 117' ' ' PHE . 44.3 t -63.87 -52.39 57.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.049 -179.698 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 3.5 t -54.76 -27.22 39.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.142 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 91' ' ' GLN . . . . . 0.494 ' NE2' ' HG2' ' D' ' 87' ' ' ARG . 26.2 mt-30 -70.4 -56.97 5.38 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-O 121.247 0.546 . . . . 0.0 110.059 179.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 92' ' ' VAL . . . . . 0.934 HG11 ' CD2' ' C' ' 18' ' ' LEU . 4.2 t -66.03 -28.11 42.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.307 179.533 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 93' ' ' LEU . . . . . 0.782 HD21 ' HA ' ' D' ' 114' ' ' HIS . 1.3 mt -69.6 -34.84 74.67 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.404 179.735 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -84.75 -37.84 20.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.923 0.392 . . . . 0.0 111.037 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 95' ' ' SER . . . . . 0.48 ' CB ' HD11 ' C' ' 33' ' ' LEU . 0.6 OUTLIER -79.96 -20.8 44.71 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.991 -179.593 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D ' 96' ' ' LEU . . . . . 0.846 HD13 ' HB3' ' D' ' 110' ' ' LEU . 0.1 OUTLIER -36.53 -52.31 0.86 Allowed 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 -179.224 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -67.39 -31.17 71.21 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.947 0.403 . . . . 0.0 110.921 -179.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 98' ' ' GLU . . . . . 0.799 ' O ' ' HB3' ' D' ' 101' ' ' ALA . 0.0 OUTLIER -68.31 -35.19 77.44 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 177.443 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D ' 99' ' ' ILE . . . . . 0.616 ' HB ' ' O ' ' D' ' 96' ' ' LEU . 6.0 mt -58.36 -49.45 81.96 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.711 0 CA-C-N 114.292 -1.322 . . . . 0.0 110.231 178.544 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 100' ' ' HIS . . . . . 0.744 ' HB2' HD11 ' D' ' 110' ' ' LEU . 11.2 t-160 -56.21 -39.41 72.42 Favored 'General case' 0 CA--C 1.515 -0.393 0 CA-C-O 121.977 0.894 . . . . 0.0 108.704 178.456 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 101' ' ' ALA . . . . . 0.799 ' HB3' ' O ' ' D' ' 98' ' ' GLU . . . -52.19 -43.48 64.19 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.001 -1.454 . . . . 0.0 112.077 179.589 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 102' ' ' LEU . . . . . 0.654 HD12 HG23 ' D' ' 103' ' ' THR . 0.4 OUTLIER -119.25 31.57 6.54 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -177.4 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D ' 103' ' ' THR . . . . . 0.654 HG23 HD12 ' D' ' 102' ' ' LEU . 34.2 p -149.18 -32.86 0.21 Allowed 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.994 -0.283 . . . . 0.0 111.613 179.6 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 69.09 28.27 5.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.082 0.467 . . . . 0.0 110.101 -179.231 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 105' ' ' SER . . . . . 0.451 ' CB ' ' CE1' ' C' ' 21' ' ' TYR . 2.2 p -51.0 -84.79 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.054 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 106' ' ' SER . . . . . 0.401 ' CB ' ' O ' ' D' ' 105' ' ' SER . 0.5 OUTLIER 164.47 108.08 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.046 179.907 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D ' 107' ' ' GLU . . . . . 0.665 ' HA ' HD12 ' D' ' 110' ' ' LEU . 9.9 pt-20 -47.66 -32.79 6.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.881 0.372 . . . . 0.0 110.658 -179.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.01 -45.37 89.28 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 179.183 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 109' ' ' ASP . . . . . 0.699 ' O ' HD12 ' D' ' 113' ' ' LEU . 4.0 m-20 -69.96 -35.51 74.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.641 178.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 110' ' ' LEU . . . . . 0.846 ' HB3' HD13 ' D' ' 96' ' ' LEU . 63.5 mt -65.16 -42.37 93.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.957 179.191 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 111' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -62.62 -41.2 98.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.53 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 112' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -59.03 -44.98 91.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.35 179.498 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 113' ' ' LEU . . . . . 0.71 HD11 ' CD1' ' C' ' 17' ' ' LEU . 0.5 OUTLIER -70.04 -40.22 75.27 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.747 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D ' 114' ' ' HIS . . . . . 0.782 ' HA ' HD21 ' D' ' 93' ' ' LEU . 1.6 t-80 -57.57 -32.89 67.6 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 178.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 115' ' ' SER . . . . . . . . . . . . . 10.3 t -74.81 -38.38 62.08 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 177.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 116' ' ' VAL . . . . . 0.834 ' O ' HD22 ' D' ' 122' ' ' LEU . 14.7 t -62.54 -23.76 33.4 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.163 177.643 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 117' ' ' PHE . . . . . 0.803 ' CD1' HG13 ' D' ' 89' ' ' VAL . 25.1 m-85 -97.48 -32.5 11.8 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.186 -0.915 . . . . 0.0 111.403 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 118' ' ' GLN . . . . . 0.448 ' NE2' ' CD2' ' D' ' 114' ' ' HIS . 0.0 OUTLIER -69.07 -29.5 67.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.516 -179.13 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -42.93 114.15 0.57 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.648 -179.389 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 120' ' ' GLN . . . . . . . . . . . . . 3.2 tm0? -59.18 -44.13 92.18 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.628 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 121' ' ' HIS . . . . . . . . . . . . . 57.1 m-70 -55.85 -33.64 64.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.593 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 122' ' ' LEU . . . . . 0.834 HD22 ' O ' ' D' ' 116' ' ' VAL . 39.1 tp -55.52 -46.7 76.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.649 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 123' ' ' HIS . . . . . 0.931 ' HA ' HD12 ' D' ' 126' ' ' LEU . 0.0 OUTLIER -57.26 -25.54 59.36 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 179.191 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D ' 124' ' ' THR . . . . . 0.53 HG21 HG23 ' C' ' 61' ' ' VAL . 2.0 m -73.38 -37.5 65.97 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 178.751 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 125' ' ' LEU . . . . . 0.807 HD12 HD12 ' D' ' 122' ' ' LEU . 6.2 mt -71.99 -33.32 68.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.417 178.404 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 126' ' ' LEU . . . . . 0.931 HD12 ' HA ' ' D' ' 123' ' ' HIS . 7.8 mt -73.44 -50.79 19.86 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.941 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 127' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -60.19 -39.35 86.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.947 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 128' ' ' LEU . . . . . 0.915 HD21 ' CD2' ' A' ' 59' ' ' TYR . 33.7 mt -73.52 -39.39 64.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.569 179.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 129' ' ' TYR . . . . . 0.433 ' HA ' ' HG ' ' C' ' 48' ' ' LEU . 4.0 t80 -55.87 -42.07 75.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.271 179.641 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 130' ' ' ASP . . . . . 0.669 ' OD1' ' HB2' ' D' ' 85' ' ' ALA . 0.1 OUTLIER -76.24 -40.13 52.76 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.186 179.731 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D ' 131' ' ' LYS . . . . . . . . . . . . . 4.3 tptt -54.48 -54.2 44.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.394 -179.262 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 132' ' ' ILE . . . . . 0.818 ' HB ' HD21 ' C' ' 48' ' ' LEU . 1.9 mt -74.11 -35.56 41.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.937 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 133' ' ' ASN . . . . . 0.736 ' HB2' HD23 ' C' ' 48' ' ' LEU . 47.5 t30 . . . . . 0 C--N 1.327 -0.404 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.985 -179.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.92 -39.89 94.2 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 179.067 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -78.79 -27.27 44.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.264 179.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.702 ' HB3' HG22 ' B' ' 116' ' ' VAL . 0.5 OUTLIER -79.73 -32.23 41.13 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.515 179.843 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.2 p -75.08 -42.28 57.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.355 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.509 ' HA ' HD23 ' A' ' 15' ' ' LEU . 0.7 OUTLIER -70.01 -37.16 75.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.242 179.565 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.4 ttm180 -74.98 -25.22 58.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.063 179.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.895 ' CB ' HG11 ' B' ' 116' ' ' VAL . . . -78.46 -51.74 9.56 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.824 178.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.875 HD22 ' HB3' ' A' ' 44' ' ' PHE . 0.4 OUTLIER -64.5 -27.05 68.71 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.719 179.621 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.424 ' HB2' ' O ' ' A' ' 12' ' ' GLN . 17.3 t-160 -72.72 -45.13 60.3 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 178.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.914 HD22 ' CE1' ' A' ' 21' ' ' TYR . 3.8 mt -63.01 -33.61 75.8 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.009 178.281 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.856 HD12 ' HA ' ' A' ' 15' ' ' LEU . 37.6 mt -62.41 -47.95 81.87 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.524 179.505 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.449 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 8.6 mt-10 -59.59 -39.48 84.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.818 179.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -74.72 -35.4 62.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.968 179.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.914 ' CE1' HD22 ' A' ' 17' ' ' LEU . 3.9 m-30 -66.1 -48.56 70.5 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.626 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.57 ' HB3' HD12 ' A' ' 37' ' ' ILE . 0.0 OUTLIER -63.99 -31.48 72.68 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 178.367 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.7 m -58.5 -45.82 87.98 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.421 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.648 ' HE2' ' HA ' ' A' ' 21' ' ' TYR . 0.0 OUTLIER -103.36 -4.18 24.52 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 120.568 -0.453 . . . . 0.0 111.475 -179.806 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.877 HD12 HD11 ' A' ' 37' ' ' ILE . 0.1 OUTLIER -77.21 -59.41 2.79 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.023 0.439 . . . . 0.0 109.92 178.751 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.432 ' HB3' ' HB2' ' A' ' 34' ' ' ARG . 5.0 p -66.28 -158.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.848 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 57.72 32.87 22.51 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-O 120.955 0.407 . . . . 0.0 110.568 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.677 HG23 ' H ' ' A' ' 29' ' ' GLU . 4.1 t -153.08 -59.43 0.14 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.047 -179.6 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.677 ' H ' HG23 ' A' ' 28' ' ' THR . 20.3 pt-20 -173.62 28.28 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.603 -179.47 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.509 ' HB2' HD22 ' A' ' 25' ' ' LEU . 3.9 m-20 -145.84 46.16 1.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.853 0.359 . . . . 0.0 110.914 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.6 -54.83 42.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.283 0.563 . . . . 0.0 110.467 179.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -54.08 -46.52 72.06 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.858 178.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.83 HD21 ' HB3' ' B' ' 95' ' ' SER . 8.4 tp -53.66 -36.67 62.35 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.935 178.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.432 ' HB2' ' HB3' ' A' ' 26' ' ' SER . 15.5 ttp180 -60.61 -43.5 97.38 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.401 178.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.2 t -58.0 -35.58 71.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.303 179.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.617 ' O ' HG23 ' A' ' 40' ' ' VAL . 70.8 m -66.04 -51.04 61.82 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.052 0.453 . . . . 0.0 110.255 179.411 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.877 HD11 HD12 ' A' ' 25' ' ' LEU . 30.4 mt -58.33 -41.22 80.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.773 179.075 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.401 ' HA ' HG12 ' A' ' 41' ' ' ILE . 1.1 mt-10 -65.7 -51.55 58.46 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.07 -0.968 . . . . 0.0 112.507 -179.286 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.593 ' HG3' ' HB1' ' B' ' 88' ' ' ALA . 8.1 ptp180 -55.87 -33.34 64.48 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.478 -0.489 . . . . 0.0 110.092 -179.504 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 36' ' ' SER . 86.4 t -66.19 -44.34 91.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 178.047 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.681 HD11 ' HB3' ' A' ' 18' ' ' LEU . 17.1 mm -50.71 -53.04 14.68 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.263 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.199 179.318 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.1 t -59.49 -47.1 86.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.744 0.307 . . . . 0.0 110.75 -179.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.892 HG23 ' CE2' ' B' ' 129' ' ' TYR . 9.9 mt -59.72 -34.0 54.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 121.122 0.487 . . . . 0.0 109.953 179.219 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.875 ' HB3' HD22 ' A' ' 15' ' ' LEU . 2.8 m-85 -72.45 -56.47 5.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.017 179.279 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.593 ' NE2' HG22 ' A' ' 41' ' ' ILE . 25.8 mt-30 -64.77 -25.92 68.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.515 -179.427 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.482 ' CB ' ' CE1' ' B' ' 129' ' ' TYR . 0.6 OUTLIER -33.86 122.81 0.46 Allowed 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.804 -179.312 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -50.2 -31.63 14.35 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.145 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.794 ' O ' HD12 ' A' ' 48' ' ' LEU . 1.9 tp -79.41 -42.84 24.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.721 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.473 ' CE1' HD23 ' B' ' 126' ' ' LEU . 60.9 t80 -51.12 -55.51 17.4 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.938 0.399 . . . . 0.0 110.744 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 35.3 mm-40 -59.63 -32.89 70.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.231 -0.44 . . . . 0.0 109.957 179.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.54 ' HB3' ' O ' ' A' ' 48' ' ' LEU . . . -58.97 -45.94 89.32 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.256 179.383 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.457 HD22 HD12 ' B' ' 128' ' ' LEU . 1.8 mt -61.34 -45.16 95.57 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.197 179.401 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.916 HG12 HD13 ' B' ' 125' ' ' LEU . 9.0 mt -53.42 -37.18 28.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.715 179.475 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.02 -35.64 66.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.493 179.496 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.774 HG22 ' HB2' ' A' ' 59' ' ' TYR . 75.1 mt -62.56 -42.04 94.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.695 179.649 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -52.88 -24.0 8.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.444 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -48.6 -29.49 4.35 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.328 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -154.87 25.36 0.44 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.481 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.877 ' CD2' HD21 ' D' ' 128' ' ' LEU . 46.4 m-85 -136.24 83.16 1.99 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.504 179.698 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -70.29 93.99 0.89 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.04 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.531 HG13 ' CG1' ' C' ' 61' ' ' VAL . 0.0 OUTLIER -72.93 96.99 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.888 0.375 . . . . 0.0 110.908 179.837 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.45 ' O ' HD23 ' A' ' 64' ' ' LEU . 3.2 m -81.22 110.54 16.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.492 179.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.438 HD12 HG23 ' B' ' 124' ' ' THR . 0.1 OUTLIER -84.64 127.43 34.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.693 ' N ' HD23 ' A' ' 64' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.424 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.857 -179.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . 0.853 ' N ' HD23 ' B' ' 82' ' ' LEU . 0.3 OUTLIER . . . . . 0 CA--C 1.522 -0.106 0 CA-C-O 121.065 0.46 . . . . 0.0 110.805 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . 1.093 HD23 ' H ' ' B' ' 84' ' ' ALA . 0.2 OUTLIER -60.12 -50.91 71.82 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.302 -178.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 1.093 ' H ' HD23 ' B' ' 83' ' ' LEU . . . -72.59 -23.45 60.95 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.461 -178.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 85' ' ' ALA . . . . . 0.894 ' HB2' ' OD2' ' B' ' 130' ' ' ASP . . . -52.59 -27.15 15.69 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.151 0.501 . . . . 0.0 109.938 179.449 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -125.21 -43.41 1.94 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.034 179.019 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 87' ' ' ARG . . . . . 0.787 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 12.0 ttt85 -57.74 -49.35 76.86 Favored 'General case' 0 CA--C 1.521 -0.144 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.086 179.14 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . 0.727 ' HB3' ' O ' ' B' ' 84' ' ' ALA . . . -56.75 -49.36 75.47 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.587 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 89' ' ' VAL . . . . . 0.639 HG13 ' CD1' ' B' ' 117' ' ' PHE . 74.9 t -67.99 -28.89 42.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.018 178.669 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 43.6 t -76.06 -30.19 58.28 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.838 179.558 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 91' ' ' GLN . . . . . 0.557 ' HG3' ' O ' ' B' ' 87' ' ' ARG . 17.5 mt-30 -66.27 -52.95 42.44 Favored 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 109.327 -0.619 . . . . 0.0 109.327 179.209 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 92' ' ' VAL . . . . . 0.811 HG11 ' CD2' ' A' ' 18' ' ' LEU . 10.5 t -66.94 -27.73 40.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.127 179.178 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 93' ' ' LEU . . . . . 0.753 HD21 ' HA ' ' B' ' 114' ' ' HIS . 3.1 mt -69.03 -36.87 78.23 Favored 'General case' 0 C--O 1.231 0.081 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.428 179.681 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -82.79 -34.8 26.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.934 0.397 . . . . 0.0 110.847 -179.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 95' ' ' SER . . . . . 0.83 ' HB3' HD21 ' A' ' 33' ' ' LEU . 4.7 m -79.34 -16.9 55.56 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.751 -179.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . 0.884 HD22 ' CD2' ' B' ' 110' ' ' LEU . 0.1 OUTLIER -37.71 -52.4 1.25 Allowed 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -179.337 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -66.65 -29.46 69.49 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.492 -179.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . 0.77 ' O ' ' HB3' ' B' ' 101' ' ' ALA . 0.0 OUTLIER -72.36 -38.7 68.5 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 178.19 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 99' ' ' ILE . . . . . 0.477 ' O ' HG23 ' B' ' 103' ' ' THR . 23.0 mt -57.94 -47.18 87.13 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.727 0 CA-C-N 114.534 -1.212 . . . . 0.0 109.621 178.289 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 100' ' ' HIS . . . . . 0.508 ' HB2' ' CD1' ' B' ' 110' ' ' LEU . 13.7 t-160 -57.39 -39.69 76.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.904 0.859 . . . . 0.0 108.751 178.113 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 101' ' ' ALA . . . . . 0.77 ' HB3' ' O ' ' B' ' 98' ' ' GLU . . . -53.04 -40.77 64.2 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 114.013 -1.449 . . . . 0.0 111.921 179.664 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 102' ' ' LEU . . . . . 0.662 HD21 ' OE2' ' B' ' 98' ' ' GLU . 0.4 OUTLIER -123.33 34.14 5.18 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.135 0.791 . . . . 0.0 113.135 -177.272 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 103' ' ' THR . . . . . 0.638 HG23 HD12 ' B' ' 102' ' ' LEU . 43.2 p -150.18 -35.37 0.16 Allowed 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.552 -0.459 . . . . 0.0 112.024 179.584 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 5.8 t0 75.99 27.43 0.93 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.147 0.499 . . . . 0.0 109.906 -178.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 105' ' ' SER . . . . . 0.45 ' HB3' ' CZ ' ' A' ' 21' ' ' TYR . 0.0 OUTLIER -59.62 -18.04 38.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.538 -0.756 . . . . 0.0 111.556 -179.793 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 1.6 p 77.16 125.78 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.484 -179.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . 0.506 ' HA ' ' HB2' ' B' ' 110' ' ' LEU . 0.3 OUTLIER -56.76 -20.65 23.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.425 -179.611 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 6.3 mmtt -62.53 -55.76 24.39 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.897 0.38 . . . . 0.0 110.454 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 109' ' ' ASP . . . . . 0.629 ' O ' HD12 ' B' ' 113' ' ' LEU . 3.0 m-20 -66.46 -38.94 88.45 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.403 0.62 . . . . 0.0 109.374 178.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 110' ' ' LEU . . . . . 0.884 ' CD2' HD22 ' B' ' 96' ' ' LEU . 16.1 mt -61.57 -37.16 82.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.279 179.065 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 111' ' ' ASP . . . . . 0.497 ' HA ' ' HD2' ' B' ' 114' ' ' HIS . 10.5 t70 -66.21 -43.21 87.38 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.548 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 112' ' ' PHE . . . . . 0.532 ' O ' HG23 ' B' ' 116' ' ' VAL . 0.5 OUTLIER -58.95 -38.39 78.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.553 179.654 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 113' ' ' LEU . . . . . 0.733 HD11 ' CD1' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -75.71 -29.57 59.0 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.161 -179.814 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 114' ' ' HIS . . . . . 0.753 ' HA ' HD21 ' B' ' 93' ' ' LEU . 0.0 OUTLIER -64.62 -34.34 78.04 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 178.515 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 48.4 t -77.24 -38.4 51.22 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.147 178.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 116' ' ' VAL . . . . . 0.895 HG11 ' CB ' ' A' ' 14' ' ' ALA . 24.1 t -61.14 -23.97 31.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.807 178.545 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 117' ' ' PHE . . . . . 0.639 ' CD1' HG13 ' B' ' 89' ' ' VAL . 22.8 m-85 -99.82 -37.23 9.15 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.233 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 118' ' ' GLN . . . . . 0.473 ' NE2' HD11 ' B' ' 93' ' ' LEU . 0.0 OUTLIER -60.63 -28.28 68.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.271 -179.49 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -46.11 116.83 1.34 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.481 -179.671 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -62.11 -39.43 92.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.731 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 121' ' ' HIS . . . . . 0.428 ' O ' ' HG ' ' B' ' 125' ' ' LEU . 8.4 m-70 -59.58 -35.38 74.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.66 179.718 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . 0.832 HD22 ' O ' ' B' ' 116' ' ' VAL . 43.9 tp -56.45 -49.18 75.33 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.491 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 123' ' ' HIS . . . . . 1.011 ' HA ' HD12 ' B' ' 126' ' ' LEU . 45.6 m-70 -53.45 -28.86 32.52 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.037 0.446 . . . . 0.0 110.014 179.128 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 124' ' ' THR . . . . . 0.496 HG22 HD11 ' B' ' 128' ' ' LEU . 1.4 m -72.48 -37.09 68.56 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.806 -0.633 . . . . 0.0 109.339 178.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . 0.916 HD13 HG12 ' A' ' 53' ' ' ILE . 3.2 mt -72.14 -33.47 67.79 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.628 178.638 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . 1.011 HD12 ' HA ' ' B' ' 123' ' ' HIS . 4.0 mt -72.9 -50.54 23.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.593 -0.731 . . . . 0.0 111.164 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 127' ' ' ASP . . . . . 0.421 ' O ' ' HB2' ' B' ' 131' ' ' LYS . 9.3 m-20 -61.09 -52.77 63.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.363 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . 0.901 HD21 ' CD2' ' C' ' 59' ' ' TYR . 28.0 mt -60.43 -40.64 91.84 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.535 -179.492 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 129' ' ' TYR . . . . . 0.892 ' CE2' HG23 ' A' ' 43' ' ' ILE . 0.2 OUTLIER -56.62 -52.67 63.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.882 0.372 . . . . 0.0 111.608 -179.183 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 130' ' ' ASP . . . . . 0.894 ' OD2' ' HB2' ' B' ' 85' ' ' ALA . 0.0 OUTLIER -76.45 -33.25 58.75 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.364 -179.801 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 131' ' ' LYS . . . . . 0.617 ' O ' HG22 ' B' ' 134' ' ' THR . 9.6 tmtm? -59.28 -42.37 91.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.647 0.26 . . . . 0.0 110.77 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 132' ' ' ILE . . . . . 0.52 ' HB ' HD21 ' A' ' 48' ' ' LEU . 5.5 mt -75.21 -38.43 41.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.989 0.423 . . . . 0.0 110.005 179.307 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 133' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -70.12 -25.6 63.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.97 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 134' ' ' THR . . . . . 0.617 HG22 ' O ' ' B' ' 131' ' ' LYS . 1.2 t -82.03 -29.08 32.15 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.96 0.409 . . . . 0.0 110.846 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 135' ' ' LYS . . . . . 0.506 ' HG2' ' HB2' ' C' ' 51' ' ' ALA . 0.0 OUTLIER -69.07 -36.97 78.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.631 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 7' ' ' ARG . . . . . . . . . . . . . 21.6 ttm180 . . . . . 0 N--CA 1.456 -0.151 0 N-CA-C 110.473 -0.195 . . . . 0.0 110.473 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 9.1 mmmt -64.95 -40.01 94.37 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-O 121.196 0.522 . . . . 0.0 109.603 179.046 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -72.99 -30.58 63.91 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.483 178.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -78.0 -30.38 50.08 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.598 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 11' ' ' THR . . . . . 0.432 HG22 ' CE2' ' C' ' 44' ' ' PHE . 1.0 OUTLIER -73.72 -38.33 64.84 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.432 179.816 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 12' ' ' GLN . . . . . 0.416 ' O ' ' CG ' ' C' ' 16' ' ' HIS . 0.6 OUTLIER -69.77 -43.26 72.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.193 179.449 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 9.3 ttm180 -68.05 -26.89 66.09 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.089 179.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 14' ' ' ALA . . . . . 0.853 ' CB ' HG11 ' D' ' 116' ' ' VAL . . . -78.55 -54.62 5.95 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 178.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 15' ' ' LEU . . . . . 0.732 ' O ' HD12 ' C' ' 41' ' ' ILE . 0.3 OUTLIER -64.11 -28.26 69.65 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.762 179.325 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 16' ' ' HIS . . . . . 0.416 ' CG ' ' O ' ' C' ' 12' ' ' GLN . 20.7 m170 -73.09 -43.5 61.71 Favored 'General case' 0 CA--C 1.519 -0.237 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 178.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . 0.844 HD22 ' CZ ' ' C' ' 21' ' ' TYR . 2.4 mt -62.44 -38.13 88.54 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.737 178.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . 0.678 ' CB ' HD11 ' C' ' 41' ' ' ILE . 19.5 mt -63.36 -42.85 98.9 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.604 179.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 19' ' ' GLU . . . . . 0.417 ' O ' ' CG ' ' C' ' 22' ' ' ARG . 22.5 mt-10 -59.39 -43.04 93.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -71.3 -33.75 69.98 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.991 179.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 21' ' ' TYR . . . . . 0.844 ' CZ ' HD22 ' C' ' 17' ' ' LEU . 17.5 m-30 -66.32 -48.56 69.91 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.58 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 22' ' ' ARG . . . . . 0.454 ' HB2' ' CG ' ' C' ' 34' ' ' ARG . 9.0 ptt85 -56.68 -44.24 81.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.765 0.316 . . . . 0.0 110.419 179.318 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 23' ' ' SER . . . . . 0.435 ' O ' ' HG2' ' C' ' 27' ' ' GLN . 0.6 OUTLIER -58.83 -33.62 70.61 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.791 179.594 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 24' ' ' LYS . . . . . . . . . . . . . 9.7 ptmt -109.33 13.75 24.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.658 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 25' ' ' LEU . . . . . 0.842 HD12 HD11 ' C' ' 37' ' ' ILE . 0.1 OUTLIER -109.56 -65.03 1.18 Allowed 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -178.62 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . 0.591 ' HB2' ' HB2' ' C' ' 34' ' ' ARG . 0.0 OUTLIER -64.36 -21.82 66.75 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -177.927 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 27' ' ' GLN . . . . . 0.435 ' HG2' ' O ' ' C' ' 23' ' ' SER . 0.9 OUTLIER -73.77 55.78 0.54 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.812 0.339 . . . . 0.0 110.916 -179.517 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 28' ' ' THR . . . . . 0.459 HG23 ' HG2' ' C' ' 29' ' ' GLU . 1.4 t -174.75 -51.57 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.796 179.655 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 29' ' ' GLU . . . . . 0.459 ' HG2' HG23 ' C' ' 28' ' ' THR . 8.5 pt-20 -175.65 28.58 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -179.58 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 30' ' ' ASP . . . . . 0.476 ' CB ' HD22 ' C' ' 25' ' ' LEU . 0.4 OUTLIER -142.07 47.25 1.62 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.989 0.423 . . . . 0.0 111.596 -179.789 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . 0.44 ' HA ' ' HB2' ' C' ' 26' ' ' SER . 11.6 mmm180 -55.45 -52.06 64.87 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 121.189 0.519 . . . . 0.0 110.692 179.55 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.36 -47.63 72.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.15 179.401 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 33' ' ' LEU . . . . . 0.509 HD21 ' HB3' ' D' ' 95' ' ' SER . 3.2 tp -52.94 -34.55 55.96 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.034 179.21 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 34' ' ' ARG . . . . . 0.591 ' HB2' ' HB2' ' C' ' 26' ' ' SER . 3.7 ttp180 -60.44 -47.83 84.39 Favored 'General case' 0 CA--C 1.513 -0.449 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 178.743 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.1 -34.96 61.56 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.164 -0.925 . . . . 0.0 109.897 179.253 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 36' ' ' SER . . . . . 0.539 ' HB2' HG22 ' D' ' 92' ' ' VAL . 1.1 m -69.59 -51.34 36.13 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.082 178.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 37' ' ' ILE . . . . . 0.842 HD11 HD12 ' C' ' 25' ' ' LEU . 57.7 mt -56.82 -38.57 59.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.876 178.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -61.77 -52.54 63.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.645 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 39' ' ' ARG . . . . . 0.609 ' HG3' ' HB1' ' D' ' 88' ' ' ALA . 7.0 ptp85 -55.87 -34.64 65.67 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.594 -0.443 . . . . 0.0 109.903 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . 0.484 HG11 ' CD1' ' C' ' 18' ' ' LEU . 95.8 t -68.39 -45.74 81.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 178.293 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 41' ' ' ILE . . . . . 0.732 HD12 ' O ' ' C' ' 15' ' ' LEU . 8.8 mm -55.17 -52.85 40.72 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.108 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.258 179.415 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 40.8 t -63.46 -48.9 75.77 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.859 0.361 . . . . 0.0 110.695 -179.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 43' ' ' ILE . . . . . 0.421 HG13 ' O ' ' C' ' 39' ' ' ARG . 20.6 mt -59.69 -33.16 51.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.126 179.417 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 44' ' ' PHE . . . . . 0.69 ' HB3' HD22 ' C' ' 15' ' ' LEU . 1.3 m-85 -72.74 -57.57 4.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.621 179.513 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 45' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -78.44 -2.21 37.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.798 -178.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 46' ' ' SER . . . . . 0.485 ' CB ' ' CE1' ' D' ' 129' ' ' TYR . 0.6 OUTLIER -49.31 137.68 13.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.869 0.366 . . . . 0.0 111.068 -179.861 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -58.89 -34.06 71.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.051 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . 0.795 ' O ' HD12 ' C' ' 48' ' ' LEU . 1.9 tp -79.22 -43.83 23.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.074 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 49' ' ' PHE . . . . . 0.592 ' CE1' HD23 ' D' ' 126' ' ' LEU . 44.5 t80 -51.24 -55.86 15.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.138 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 37.0 mm-40 -56.56 -32.74 65.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.851 0.358 . . . . 0.0 110.427 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 51' ' ' ALA . . . . . 0.519 ' HB3' ' O ' ' C' ' 48' ' ' LEU . . . -59.89 -47.33 86.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.618 179.506 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 52' ' ' LEU . . . . . 0.528 HD13 ' O ' ' D' ' 125' ' ' LEU . 1.5 mt -61.07 -44.41 97.42 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.365 179.531 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 53' ' ' ILE . . . . . 0.828 HG12 HD13 ' D' ' 125' ' ' LEU . 16.4 mt -54.33 -38.6 40.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.594 179.587 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -67.37 -40.38 85.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.321 179.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 55' ' ' ILE . . . . . 0.822 HG22 ' HB2' ' C' ' 59' ' ' TYR . 61.8 mt -60.43 -37.89 76.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.642 179.512 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 56' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -53.39 -22.81 8.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.556 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 57' ' ' GLU . . . . . 0.411 ' O ' ' CD2' ' C' ' 58' ' ' PHE . 62.3 mt-10 -46.75 -32.06 3.38 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.64 0.257 . . . . 0.0 111.38 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 58' ' ' PHE . . . . . 0.411 ' CD2' ' O ' ' C' ' 57' ' ' GLU . 59.8 m-85 -157.77 28.52 0.27 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.35 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 59' ' ' TYR . . . . . 0.901 ' CD2' HD21 ' B' ' 128' ' ' LEU . 52.7 m-85 -135.33 81.04 1.87 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.77 179.646 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.14 90.79 0.89 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.723 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 61' ' ' VAL . . . . . 0.603 HG23 HG21 ' D' ' 124' ' ' THR . 0.0 OUTLIER -72.8 96.87 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.185 -179.882 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 62' ' ' THR . . . . . . . . . . . . . 2.8 m -78.73 118.21 20.59 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.177 179.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 63' ' ' LEU . . . . . 0.477 HD12 HG23 ' D' ' 124' ' ' THR . 0.2 OUTLIER -90.12 131.4 35.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.034 -179.761 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 64' ' ' LEU . . . . . 0.757 HD23 ' N ' ' C' ' 64' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.686 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 82' ' ' LEU . . . . . 0.775 ' N ' HD23 ' D' ' 82' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 83' ' ' LEU . . . . . 1.082 HD23 ' H ' ' D' ' 84' ' ' ALA . 0.1 OUTLIER -59.68 -54.21 49.06 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 114.519 -1.219 . . . . 0.0 111.198 -179.675 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 84' ' ' ALA . . . . . 1.082 ' H ' HD23 ' D' ' 83' ' ' LEU . . . -71.79 -23.29 61.55 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.158 -179.154 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 85' ' ' ALA . . . . . 0.813 ' HB1' ' HB3' ' D' ' 126' ' ' LEU . . . -52.46 -26.42 12.75 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 179.065 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 86' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -126.24 -39.25 2.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.237 178.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 87' ' ' ARG . . . . . 0.741 ' HB3' ' O ' ' D' ' 83' ' ' LEU . 12.9 ttt180 -64.92 -37.74 88.65 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.656 179.56 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 88' ' ' ALA . . . . . 0.787 ' HB2' ' HB1' ' D' ' 84' ' ' ALA . . . -68.54 -45.14 72.97 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.046 -179.615 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 89' ' ' VAL . . . . . 0.77 HG12 ' HB3' ' D' ' 117' ' ' PHE . 25.2 t -76.99 -31.84 19.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.694 179.496 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 90' ' ' SER . . . . . 0.442 ' HA ' ' HB2' ' D' ' 93' ' ' LEU . 45.7 t -76.1 -42.28 47.67 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.067 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 91' ' ' GLN . . . . . 0.438 ' CD ' ' HB3' ' C' ' 36' ' ' SER . 7.8 pt20 -64.68 -49.07 72.39 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 179.62 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 92' ' ' VAL . . . . . 0.685 HG23 ' O ' ' D' ' 88' ' ' ALA . 47.3 t -65.1 -27.87 43.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.265 177.669 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 93' ' ' LEU . . . . . 0.712 HD21 ' HA ' ' D' ' 114' ' ' HIS . 1.5 mt -60.64 -43.04 98.04 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.202 179.35 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -75.19 -31.73 61.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.529 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 95' ' ' SER . . . . . 0.509 ' HB3' HD21 ' C' ' 33' ' ' LEU . 0.8 OUTLIER -79.04 -23.97 43.92 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.41 -179.877 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 96' ' ' LEU . . . . . 0.954 HD22 HD22 ' D' ' 110' ' ' LEU . 0.2 OUTLIER -37.95 -52.61 1.36 Allowed 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 -179.583 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -68.08 -28.96 67.81 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.373 -179.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 98' ' ' GLU . . . . . 0.791 ' OE2' HD21 ' D' ' 102' ' ' LEU . 0.1 OUTLIER -70.2 -36.2 74.45 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 177.896 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 99' ' ' ILE . . . . . 0.585 ' O ' HG23 ' D' ' 103' ' ' THR . 26.5 mt -60.04 -48.54 87.5 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.79 0 CA-C-N 114.505 -1.225 . . . . 0.0 110.011 178.567 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 100' ' ' HIS . . . . . 0.731 ' HB2' HD11 ' D' ' 110' ' ' LEU . 1.9 t-160 -57.8 -35.84 71.38 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 178.376 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 101' ' ' ALA . . . . . 0.76 ' HB3' ' O ' ' D' ' 98' ' ' GLU . . . -54.52 -43.77 72.18 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.585 -1.189 . . . . 0.0 111.79 179.441 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 102' ' ' LEU . . . . . 0.791 HD21 ' OE2' ' D' ' 98' ' ' GLU . 0.3 OUTLIER -117.7 32.55 6.09 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.672 -0.694 . . . . 0.0 112.553 -177.648 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 103' ' ' THR . . . . . 0.638 HG23 HD12 ' D' ' 102' ' ' LEU . 36.6 p -148.46 -33.2 0.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.894 -0.322 . . . . 0.0 111.803 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 1.5 t0 74.17 25.87 1.73 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.982 0.42 . . . . 0.0 110.531 -179.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 105' ' ' SER . . . . . 0.441 ' HB3' ' CZ ' ' C' ' 21' ' ' TYR . 72.7 m -64.18 -13.22 47.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.292 179.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 106' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' D' ' 105' ' ' SER . 4.0 t 81.81 123.02 0.04 OUTLIER 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.988 0.423 . . . . 0.0 111.085 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -54.1 -27.03 30.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.91 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.28 -54.97 36.84 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.968 0.414 . . . . 0.0 110.301 179.556 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 109' ' ' ASP . . . . . 0.725 ' O ' HD12 ' D' ' 113' ' ' LEU . 11.0 m-20 -63.13 -38.76 92.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.732 178.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 110' ' ' LEU . . . . . 0.954 HD22 HD22 ' D' ' 96' ' ' LEU . 17.8 mt -60.25 -38.14 82.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.32 179.255 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 111' ' ' ASP . . . . . 0.485 ' HA ' ' HD2' ' D' ' 114' ' ' HIS . 61.4 m-20 -64.99 -45.85 83.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.843 -179.675 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 112' ' ' PHE . . . . . 0.537 ' O ' HG23 ' D' ' 116' ' ' VAL . 3.8 t80 -58.74 -35.26 72.42 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.375 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 113' ' ' LEU . . . . . 0.725 HD12 ' O ' ' D' ' 109' ' ' ASP . 0.5 OUTLIER -78.26 -28.59 47.74 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 114' ' ' HIS . . . . . 0.712 ' HA ' HD21 ' D' ' 93' ' ' LEU . 0.0 OUTLIER -63.76 -35.27 80.04 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 178.282 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 115' ' ' SER . . . . . . . . . . . . . 27.6 t -74.32 -38.77 63.21 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 178.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 116' ' ' VAL . . . . . 0.853 HG11 ' CB ' ' C' ' 14' ' ' ALA . 44.0 t -63.45 -23.28 32.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.272 -0.876 . . . . 0.0 109.639 178.272 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 117' ' ' PHE . . . . . 0.77 ' HB3' HG12 ' D' ' 89' ' ' VAL . 12.1 m-30 -103.25 -19.6 14.42 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.45 -179.597 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 118' ' ' GLN . . . . . 0.481 ' NE2' HD11 ' D' ' 93' ' ' LEU . 0.0 OUTLIER -79.74 -26.92 40.61 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.66 0.267 . . . . 0.0 111.402 -179.557 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -43.14 118.11 1.23 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.711 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 120' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -63.9 -49.19 73.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.633 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 121' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -55.77 -33.74 64.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.58 179.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 122' ' ' LEU . . . . . 0.899 HD12 HD12 ' D' ' 125' ' ' LEU . 31.1 tp -55.55 -46.27 77.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.333 179.692 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 123' ' ' HIS . . . . . 1.021 ' HA ' HD12 ' D' ' 126' ' ' LEU . 0.0 OUTLIER -54.85 -27.1 39.78 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 178.859 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 124' ' ' THR . . . . . 0.603 HG21 HG23 ' C' ' 61' ' ' VAL . 1.9 m -74.1 -36.13 64.23 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.16 178.561 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 125' ' ' LEU . . . . . 0.899 HD12 HD12 ' D' ' 122' ' ' LEU . 5.0 mt -73.15 -33.5 65.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.496 -0.774 . . . . 0.0 109.619 178.688 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 126' ' ' LEU . . . . . 1.021 HD12 ' HA ' ' D' ' 123' ' ' HIS . 3.4 mt -73.39 -47.79 39.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.09 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 127' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -64.73 -47.03 79.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.062 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 128' ' ' LEU . . . . . 0.877 HD21 ' CD2' ' A' ' 59' ' ' TYR . 63.4 mt -65.86 -34.71 78.76 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.021 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 129' ' ' TYR . . . . . 0.485 ' CE1' ' CB ' ' C' ' 46' ' ' SER . 0.2 OUTLIER -62.06 -52.1 65.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.932 0.396 . . . . 0.0 111.06 -179.444 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 130' ' ' ASP . . . . . 0.578 ' HB3' HD23 ' D' ' 82' ' ' LEU . 13.7 m-20 -76.06 -17.58 59.58 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.127 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 131' ' ' LYS . . . . . 0.551 ' HG2' HD13 ' D' ' 82' ' ' LEU . 0.0 OUTLIER -71.9 -51.16 23.57 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.827 0.346 . . . . 0.0 110.668 179.775 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 132' ' ' ILE . . . . . 0.615 HD12 ' O ' ' D' ' 128' ' ' LEU . 3.1 mt -72.36 -36.93 56.63 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 CA-C-O 121.049 0.452 . . . . 0.0 110.576 179.695 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 133' ' ' ASN . . . . . 0.417 ' HB2' HD23 ' C' ' 48' ' ' LEU . 30.5 t30 . . . . . 0 N--CA 1.452 -0.37 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.772 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.759 ' O ' HG23 ' A' ' 11' ' ' THR . 10.4 ttm180 . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.581 0.229 . . . . 0.0 110.427 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.676 ' HG2' HG21 ' A' ' 53' ' ' ILE . 1.7 mttt -65.12 -37.11 86.41 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 121.231 0.538 . . . . 0.0 109.744 179.016 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -77.98 -27.23 49.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.171 179.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.498 ' HB3' HG22 ' B' ' 116' ' ' VAL . 9.2 m-20 -81.49 -32.25 32.55 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.551 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.759 HG23 ' O ' ' A' ' 7' ' ' ARG . 66.5 p -74.29 -38.86 63.26 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.189 179.535 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.471 ' HA ' HD23 ' A' ' 15' ' ' LEU . 0.7 OUTLIER -71.76 -42.74 66.84 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.535 179.622 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.3 ttt180 -71.79 -23.94 61.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.96 179.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.834 ' CB ' HG11 ' B' ' 116' ' ' VAL . . . -78.64 -53.17 7.45 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.736 179.107 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.842 HD22 ' HB3' ' A' ' 44' ' ' PHE . 0.6 OUTLIER -63.67 -26.29 68.6 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.888 179.591 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.5 m170 -73.34 -47.97 38.07 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 178.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.947 HD22 ' CE1' ' A' ' 21' ' ' TYR . 1.4 mt -60.64 -37.73 82.45 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.595 -0.729 . . . . 0.0 109.449 178.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.938 ' CD2' HG11 ' B' ' 92' ' ' VAL . 18.7 mt -59.17 -46.83 87.36 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.069 -0.969 . . . . 0.0 110.684 179.447 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -57.92 -45.22 86.88 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.031 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -71.67 -34.99 70.18 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.139 0.495 . . . . 0.0 110.081 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.947 ' CE1' HD22 ' A' ' 17' ' ' LEU . 4.9 m-30 -64.61 -47.31 79.07 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.6 179.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.459 ' HG3' ' N ' ' A' ' 23' ' ' SER . 19.4 ptt180 -61.24 -41.94 97.75 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.775 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.459 ' N ' ' HG3' ' A' ' 22' ' ' ARG . 38.9 m -60.12 -35.27 74.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.587 179.601 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.5 ptmt -100.78 0.98 39.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.437 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.788 ' CD1' HD11 ' A' ' 37' ' ' ILE . 0.4 OUTLIER -90.64 -67.99 0.82 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.83 0.347 . . . . 0.0 111.128 -179.757 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.562 ' HB2' ' HB2' ' A' ' 34' ' ' ARG . 33.8 t -62.98 -151.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.663 -179.535 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 57.51 24.07 9.88 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-O 121.157 0.503 . . . . 0.0 110.002 -179.343 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.606 HG23 ' N ' ' A' ' 29' ' ' GLU . 6.6 t -149.52 -55.17 0.18 Allowed 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.814 -179.178 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.606 ' N ' HG23 ' A' ' 28' ' ' THR . 13.4 pt-20 -175.56 27.84 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.655 -179.441 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.512 ' HB2' HD22 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -143.2 59.12 1.41 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.91 0.386 . . . . 0.0 110.944 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.7 mmm180 -68.45 -53.04 26.12 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.102 0.477 . . . . 0.0 109.831 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -60.67 -46.1 91.64 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.56 178.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.628 HD21 ' HB3' ' B' ' 95' ' ' SER . 9.1 tp -51.66 -38.77 56.41 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.058 178.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.848 ' HA ' HD12 ' A' ' 37' ' ' ILE . 5.2 ttp180 -60.56 -45.2 94.81 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.284 178.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.515 ' HA ' ' HG2' ' A' ' 38' ' ' GLU . 13.6 m -55.86 -33.17 64.31 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.006 179.56 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.65 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.7 OUTLIER -71.8 -41.82 67.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.163 0.506 . . . . 0.0 110.572 179.752 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.848 HD12 ' HA ' ' A' ' 34' ' ' ARG . 9.6 mt -62.15 -46.94 95.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.545 179.24 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.53 ' HA ' HG12 ' A' ' 41' ' ' ILE . 7.9 pt-20 -63.46 -43.22 98.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.176 -179.16 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.577 ' HG3' ' HB1' ' B' ' 88' ' ' ALA . 6.6 ptp85 -57.8 -40.21 79.37 Favored 'General case' 0 CA--C 1.52 -0.202 0 C-N-CA 120.203 -0.599 . . . . 0.0 109.589 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.717 HG12 ' CD2' ' A' ' 44' ' ' PHE . 39.7 t -63.66 -34.48 68.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 178.1 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.82 HD11 ' HB3' ' A' ' 18' ' ' LEU . 27.5 mm -60.83 -63.12 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.355 179.32 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.2 p -54.38 -46.35 73.03 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-O 121.057 0.455 . . . . 0.0 110.484 -179.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.505 HG23 ' CD2' ' B' ' 129' ' ' TYR . 8.0 mt -59.78 -33.81 53.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.883 178.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.842 ' HB3' HD22 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -72.13 -59.62 2.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.843 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.432 ' HG2' ' O ' ' A' ' 41' ' ' ILE . 6.6 pt20 -76.25 -2.69 32.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.811 -178.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.401 ' HG ' ' HE1' ' B' ' 129' ' ' TYR . 0.3 OUTLIER -48.47 135.3 14.35 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.868 0.366 . . . . 0.0 111.023 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -53.79 -36.47 62.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.399 -179.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.752 ' O ' HD12 ' A' ' 48' ' ' LEU . 3.3 tp -79.24 -42.8 25.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.231 -179.614 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.404 ' CE2' HD11 ' A' ' 53' ' ' ILE . 53.0 t80 -50.97 -55.99 14.63 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.661 0.267 . . . . 0.0 111.218 -179.457 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -57.89 -39.03 76.9 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.875 0.369 . . . . 0.0 110.479 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.63 -40.23 82.76 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.19 179.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.552 ' HA ' HD12 ' A' ' 55' ' ' ILE . 1.1 mt -64.24 -44.74 90.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.85 178.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.676 HG21 ' HG2' ' A' ' 8' ' ' LYS . 47.5 mt -54.87 -33.44 28.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.247 179.231 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -71.25 -39.48 71.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.97 179.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.643 HG22 ' HB2' ' A' ' 59' ' ' TYR . 91.8 mt -59.45 -47.58 90.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.502 179.442 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.83 -22.99 16.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.376 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -49.71 -39.31 36.54 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.127 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.439 ' HA ' ' HG ' ' C' ' 64' ' ' LEU . 26.9 m-85 -141.99 15.2 2.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.636 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.922 ' CD2' HD21 ' D' ' 128' ' ' LEU . 9.2 m-85 -134.35 75.57 1.59 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.598 179.639 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.415 ' HB2' ' HB ' ' C' ' 62' ' ' THR . 60.0 mt-10 -60.03 106.31 0.49 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.751 0.31 . . . . 0.0 110.595 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.408 HG22 ' H ' ' A' ' 61' ' ' VAL . 0.0 OUTLIER -72.51 97.12 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.948 0.404 . . . . 0.0 110.971 -179.801 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.496 ' HB ' ' HB2' ' C' ' 60' ' ' GLU . 8.7 m -79.63 112.06 16.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.582 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.524 HD11 ' CZ ' ' C' ' 59' ' ' TYR . 0.1 OUTLIER -89.33 126.05 35.37 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.716 179.888 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.769 ' N ' HD23 ' A' ' 64' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.424 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.502 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . 0.888 ' N ' HD23 ' B' ' 82' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.982 0.42 . . . . 0.0 110.482 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . 1.042 HD23 ' H ' ' B' ' 84' ' ' ALA . 0.3 OUTLIER -59.81 -46.05 90.43 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.692 -179.619 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 1.042 ' H ' HD23 ' B' ' 83' ' ' LEU . . . -80.14 -5.75 56.53 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.247 -179.446 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 85' ' ' ALA . . . . . 0.789 ' HB1' ' HB2' ' B' ' 126' ' ' LEU . . . -74.5 14.87 0.41 Allowed 'General case' 0 N--CA 1.449 -0.482 0 CA-C-O 121.44 0.638 . . . . 0.0 110.017 178.46 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . 0.517 ' H ' ' C ' ' B' ' 84' ' ' ALA . 8.3 tt0 -167.71 -39.51 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.016 -0.993 . . . . 0.0 108.418 179.634 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 87' ' ' ARG . . . . . 0.692 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 9.3 ttt-85 -67.77 -41.07 83.85 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.658 178.26 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . 0.948 ' HB2' ' HB1' ' B' ' 84' ' ' ALA . . . -67.26 -48.59 67.26 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.571 179.712 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 89' ' ' VAL . . . . . 0.737 HG12 ' HB3' ' B' ' 117' ' ' PHE . 16.0 t -66.27 -43.7 91.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.411 179.408 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 90' ' ' SER . . . . . 0.461 ' HA ' ' HB2' ' B' ' 93' ' ' LEU . 67.6 m -72.28 -21.96 61.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.638 179.199 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 91' ' ' GLN . . . . . 0.475 ' HB3' ' HB3' ' A' ' 36' ' ' SER . 3.5 mt-30 -66.34 -57.16 8.06 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-O 121.384 0.611 . . . . 0.0 109.795 179.454 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 92' ' ' VAL . . . . . 0.938 HG11 ' CD2' ' A' ' 18' ' ' LEU . 5.1 t -66.51 -27.82 41.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.169 179.152 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 93' ' ' LEU . . . . . 0.63 HD21 ' HA ' ' B' ' 114' ' ' HIS . 0.7 OUTLIER -68.21 -30.61 69.72 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.878 179.486 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.9 -42.51 21.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.994 0.426 . . . . 0.0 110.894 -179.646 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 95' ' ' SER . . . . . 0.628 ' HB3' HD21 ' A' ' 33' ' ' LEU . 0.8 OUTLIER -79.75 -13.11 59.68 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.081 -179.557 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . 0.849 HD13 ' HB3' ' B' ' 110' ' ' LEU . 0.2 OUTLIER -39.21 -50.79 1.96 Allowed 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -179.248 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -68.0 -31.56 71.35 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.936 0.398 . . . . 0.0 111.102 -179.279 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . 0.754 ' O ' ' HB3' ' B' ' 101' ' ' ALA . 0.0 OUTLIER -68.38 -37.41 80.37 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 178.072 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 99' ' ' ILE . . . . . 0.551 HG12 ' CD1' ' A' ' 25' ' ' LEU . 27.8 mt -57.84 -49.37 81.24 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.757 0 CA-C-N 114.146 -1.388 . . . . 0.0 110.337 178.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 100' ' ' HIS . . . . . 0.915 ' HB2' HD11 ' B' ' 110' ' ' LEU . 11.5 t-160 -56.12 -40.16 73.33 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-O 121.881 0.848 . . . . 0.0 108.766 178.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 101' ' ' ALA . . . . . 0.754 ' HB3' ' O ' ' B' ' 98' ' ' GLU . . . -52.04 -41.37 62.23 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.087 -1.415 . . . . 0.0 111.821 179.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 102' ' ' LEU . . . . . 0.651 HD13 HD23 ' A' ' 25' ' ' LEU . 0.4 OUTLIER -123.69 35.9 4.75 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 113.087 0.773 . . . . 0.0 113.087 -177.282 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 103' ' ' THR . . . . . 0.644 HG23 HD12 ' B' ' 102' ' ' LEU . 43.6 p -152.17 -31.77 0.15 Allowed 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 179.405 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 73.4 25.49 2.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.102 0.477 . . . . 0.0 110.175 -179.123 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 105' ' ' SER . . . . . 0.451 ' CB ' ' CZ ' ' A' ' 21' ' ' TYR . 0.1 OUTLIER -60.34 -19.24 54.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.322 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 106' ' ' SER . . . . . 0.42 ' HA ' ' CE1' ' B' ' 100' ' ' HIS . 4.5 t 78.06 129.84 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.915 0.388 . . . . 0.0 110.641 -179.555 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . 0.793 ' HA ' HD12 ' B' ' 110' ' ' LEU . 1.0 OUTLIER -56.84 -21.55 29.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.142 -179.703 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -61.89 -55.4 30.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.092 0.472 . . . . 0.0 110.21 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 109' ' ' ASP . . . . . 0.69 ' O ' HD12 ' B' ' 113' ' ' LEU . 91.4 m-20 -63.8 -35.25 79.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.994 179.068 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 110' ' ' LEU . . . . . 0.915 HD11 ' HB2' ' B' ' 100' ' ' HIS . 42.2 mt -65.53 -41.61 92.92 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.414 179.247 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -59.95 -43.39 95.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.575 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 112' ' ' PHE . . . . . 0.853 ' O ' HG23 ' B' ' 116' ' ' VAL . 1.2 t80 -60.51 -47.25 86.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.409 179.646 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 113' ' ' LEU . . . . . 0.708 HD11 ' CD1' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -71.11 -29.91 65.85 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.177 179.368 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 114' ' ' HIS . . . . . 0.651 ' O ' ' HG2' ' B' ' 118' ' ' GLN . 70.7 t60 -58.49 -45.29 89.0 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 178.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . 0.507 ' HA ' ' HG2' ' B' ' 118' ' ' GLN . 45.0 m -74.2 -35.0 63.91 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.746 178.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 116' ' ' VAL . . . . . 0.853 HG23 ' O ' ' B' ' 112' ' ' PHE . 53.4 t -56.79 -24.98 20.84 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.328 178.234 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 117' ' ' PHE . . . . . 0.737 ' HB3' HG12 ' B' ' 89' ' ' VAL . 11.2 m-30 -106.07 -13.82 15.35 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.91 179.681 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 118' ' ' GLN . . . . . 0.651 ' HG2' ' O ' ' B' ' 114' ' ' HIS . 3.7 mm-40 -67.59 -44.37 78.31 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.969 0.414 . . . . 0.0 110.666 179.234 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -38.93 131.78 1.34 Allowed 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.345 -178.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -76.26 -44.12 38.71 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.357 179.45 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 15.7 m-70 -56.04 -33.74 65.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.136 179.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . 0.774 HD22 ' O ' ' B' ' 116' ' ' VAL . 47.1 tp -55.66 -43.92 76.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.73 179.254 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 123' ' ' HIS . . . . . 0.828 ' HA ' HD12 ' B' ' 126' ' ' LEU . 31.8 m170 -56.45 -27.56 57.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.997 178.629 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 124' ' ' THR . . . . . 0.418 HG22 ' CD1' ' B' ' 128' ' ' LEU . 6.5 m -77.38 -31.42 54.25 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.299 179.449 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . 0.759 HD12 HD12 ' B' ' 122' ' ' LEU . 18.7 mt -67.82 -40.88 83.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.912 179.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . 0.828 HD12 ' HA ' ' B' ' 123' ' ' HIS . 0.3 OUTLIER -72.93 -44.35 61.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.139 -179.768 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -59.47 -50.12 75.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.109 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . 0.918 HD21 ' CD2' ' C' ' 59' ' ' TYR . 31.9 mt -64.13 -42.69 96.74 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.118 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 129' ' ' TYR . . . . . 0.508 ' O ' HD23 ' A' ' 48' ' ' LEU . 0.4 OUTLIER -55.88 -51.04 68.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.301 -179.312 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 130' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -75.14 -19.42 59.89 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.295 -179.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 131' ' ' LYS . . . . . 0.409 ' O ' HG22 ' B' ' 134' ' ' THR . 0.1 OUTLIER -72.73 -51.27 19.9 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.82 0.343 . . . . 0.0 110.615 179.719 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 132' ' ' ILE . . . . . 0.981 HG23 ' HB1' ' C' ' 51' ' ' ALA . 2.4 mt -70.54 -35.48 61.78 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 CA-C-O 121.18 0.514 . . . . 0.0 110.357 179.547 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 133' ' ' ASN . . . . . . . . . . . . . 44.7 t-20 -61.49 -24.96 66.95 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.459 -0.792 . . . . 0.0 111.105 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 134' ' ' THR . . . . . 0.451 ' O ' ' CB ' ' B' ' 135' ' ' LYS . 0.5 OUTLIER -81.27 3.91 22.32 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.207 -179.927 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 135' ' ' LYS . . . . . 0.451 ' CB ' ' O ' ' B' ' 134' ' ' THR . 5.8 mttp 86.69 -20.22 0.24 Allowed 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 122.622 0.369 . . . . 0.0 111.693 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.268 0 CA-C-O 120.788 0.328 . . . . 0.0 110.892 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.234 0 CA-C-O 120.776 0.322 . . . . 0.0 110.286 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -62.33 -35.86 80.39 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-O 121.133 0.492 . . . . 0.0 109.85 179.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 57.3 mm-40 -76.76 -27.34 55.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.095 179.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 10' ' ' ASP . . . . . 0.549 ' HB3' HG22 ' D' ' 116' ' ' VAL . 1.2 m-20 -79.74 -33.19 40.99 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.516 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 11' ' ' THR . . . . . 0.413 HG22 ' HE1' ' C' ' 44' ' ' PHE . 3.1 p -74.05 -40.22 62.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.448 179.629 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 12' ' ' GLN . . . . . 0.611 ' HA ' HD23 ' C' ' 15' ' ' LEU . 0.7 OUTLIER -71.71 -37.82 70.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.307 179.564 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.61 -25.65 59.38 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.052 179.09 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 14' ' ' ALA . . . . . 0.833 ' CB ' HG11 ' D' ' 116' ' ' VAL . . . -78.69 -50.21 11.81 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.755 179.069 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 15' ' ' LEU . . . . . 0.809 ' HA ' HD12 ' C' ' 18' ' ' LEU . 0.4 OUTLIER -64.81 -28.29 69.47 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.782 179.617 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 16' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -73.16 -45.76 54.71 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 178.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . 0.879 HD22 ' CE1' ' C' ' 21' ' ' TYR . 1.6 mt -62.24 -36.1 80.96 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.193 178.343 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . 0.86 ' CD2' HG11 ' D' ' 92' ' ' VAL . 26.9 mt -62.29 -43.76 98.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.755 -1.111 . . . . 0.0 110.833 179.625 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -63.05 -38.57 91.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.811 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -74.1 -35.81 64.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.256 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 21' ' ' TYR . . . . . 0.879 ' CE1' HD22 ' C' ' 17' ' ' LEU . 14.2 m-30 -69.51 -46.32 66.82 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.02 179.501 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 22' ' ' ARG . . . . . 0.571 ' HA ' HD12 ' C' ' 37' ' ' ILE . 1.1 ttt-85 -55.07 -51.05 67.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.825 179.676 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 38.0 m -56.37 -43.67 79.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.776 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 24' ' ' LYS . . . . . 0.426 ' O ' HG22 ' D' ' 103' ' ' THR . 8.6 ptmt -89.49 3.87 50.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.548 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 25' ' ' LEU . . . . . 0.95 HD12 HD11 ' C' ' 37' ' ' ILE . 0.3 OUTLIER -92.35 -68.75 0.78 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.864 0.364 . . . . 0.0 111.301 -179.755 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . 0.514 ' HB2' ' HB2' ' C' ' 34' ' ' ARG . 30.1 t -62.42 -150.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.907 -179.232 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 27' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 57.51 24.23 10.08 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 121.104 0.478 . . . . 0.0 109.991 -179.276 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 28' ' ' THR . . . . . 0.6 HG23 ' N ' ' C' ' 29' ' ' GLU . 6.5 t -149.73 -56.19 0.18 Allowed 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.892 -179.343 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 29' ' ' GLU . . . . . 0.6 ' N ' HG23 ' C' ' 28' ' ' THR . 13.1 pt-20 -176.67 28.47 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.629 -179.524 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 30' ' ' ASP . . . . . 0.452 ' CB ' HD22 ' C' ' 25' ' ' LEU . 4.9 m-20 -141.53 54.14 1.52 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.029 0.443 . . . . 0.0 111.089 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.51 -52.96 48.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.082 179.56 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 -56.89 -53.03 62.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.848 179.04 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 33' ' ' LEU . . . . . 0.844 HD21 ' HB3' ' D' ' 95' ' ' SER . 10.0 tp -51.03 -33.53 25.69 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.882 178.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 34' ' ' ARG . . . . . 0.514 ' HB2' ' HB2' ' C' ' 26' ' ' SER . 9.1 ttp180 -60.54 -45.98 91.87 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.524 178.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 1.8 m -59.58 -33.05 70.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.42 179.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 36' ' ' SER . . . . . 0.518 ' HB3' HE21 ' D' ' 91' ' ' GLN . 58.8 m -65.78 -51.29 60.25 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.965 0.412 . . . . 0.0 110.799 179.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 37' ' ' ILE . . . . . 0.95 HD11 HD12 ' C' ' 25' ' ' LEU . 33.3 mt -57.83 -41.18 79.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.291 0.567 . . . . 0.0 109.892 179.184 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.37 -52.14 66.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 114.943 -1.026 . . . . 0.0 111.962 -179.689 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 39' ' ' ARG . . . . . 0.538 ' HG3' ' HB1' ' D' ' 88' ' ' ALA . 4.7 ptp180 -55.91 -42.08 75.49 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.403 -179.566 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . 0.651 HG12 ' CD2' ' C' ' 44' ' ' PHE . 78.7 t -60.81 -33.13 54.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 178.474 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 41' ' ' ILE . . . . . 0.684 HD11 ' HB3' ' C' ' 18' ' ' LEU . 13.2 mm -61.98 -60.62 2.42 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.142 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 179.411 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 19.7 p -58.0 -45.88 86.12 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.642 -179.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 43' ' ' ILE . . . . . 0.907 HG23 ' CE2' ' D' ' 129' ' ' TYR . 12.7 mt -59.62 -33.81 53.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.866 179.244 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 44' ' ' PHE . . . . . 0.729 ' HB3' HD22 ' C' ' 15' ' ' LEU . 0.2 OUTLIER -72.54 -59.13 2.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.581 179.686 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 45' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -73.64 -6.58 47.63 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.103 -178.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 46' ' ' SER . . . . . 0.49 ' CB ' ' CE1' ' D' ' 129' ' ' TYR . 0.2 OUTLIER -48.81 135.63 14.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.771 0.32 . . . . 0.0 111.034 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -56.43 -29.47 61.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.299 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . 0.788 HD12 ' HB3' ' C' ' 51' ' ' ALA . 3.5 tp -79.4 -40.72 29.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.934 0.397 . . . . 0.0 110.754 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 49' ' ' PHE . . . . . 0.673 ' CE2' HD11 ' C' ' 53' ' ' ILE . 7.2 t80 -53.48 -31.77 47.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.213 0.53 . . . . 0.0 110.5 179.467 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -74.55 -25.64 59.44 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 178.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 51' ' ' ALA . . . . . 0.981 ' HB1' HG23 ' B' ' 132' ' ' ILE . . . -66.58 -53.85 29.95 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 115.35 -0.841 . . . . 0.0 112.298 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 52' ' ' LEU . . . . . 0.661 ' H ' HD13 ' C' ' 52' ' ' LEU . 0.0 OUTLIER -72.72 -32.79 65.99 Favored 'General case' 0 N--CA 1.462 0.162 0 C-N-CA 119.593 -0.843 . . . . 0.0 111.103 -179.702 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 53' ' ' ILE . . . . . 0.855 HG12 HD13 ' D' ' 125' ' ' LEU . 56.3 mt -60.71 -37.18 75.21 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.249 178.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -73.03 -42.2 63.4 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.669 179.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 55' ' ' ILE . . . . . 0.732 HG22 ' HB2' ' C' ' 59' ' ' TYR . 60.5 mt -57.68 -33.98 46.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.768 179.718 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 56' ' ' GLN . . . . . 0.694 ' HG3' HD21 ' D' ' 125' ' ' LEU . 3.3 mt-30 -53.37 -21.85 6.49 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.723 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 57' ' ' GLU . . . . . 0.407 ' O ' ' CD2' ' C' ' 58' ' ' PHE . 45.5 mt-10 -43.89 -38.01 3.15 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.736 0.303 . . . . 0.0 111.517 -179.69 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 58' ' ' PHE . . . . . 0.407 ' CD2' ' O ' ' C' ' 57' ' ' GLU . 81.5 m-85 -158.12 35.61 0.25 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.428 -179.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 59' ' ' TYR . . . . . 0.918 ' CD2' HD21 ' B' ' 128' ' ' LEU . 23.1 m-85 -137.4 80.18 1.79 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.754 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 60' ' ' GLU . . . . . 0.496 ' HB2' ' HB ' ' A' ' 62' ' ' THR . 37.5 mt-10 -72.33 99.34 2.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.813 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 61' ' ' VAL . . . . . 0.472 ' CG2' HG21 ' D' ' 124' ' ' THR . 0.0 OUTLIER -72.86 96.78 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 CA-C-O 120.906 0.384 . . . . 0.0 110.922 179.881 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 62' ' ' THR . . . . . 0.415 ' HB ' ' HB2' ' A' ' 60' ' ' GLU . 2.7 m -73.63 118.38 16.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.498 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 63' ' ' LEU . . . . . 0.797 HD11 ' CE2' ' A' ' 59' ' ' TYR . 0.1 OUTLIER -89.49 124.62 34.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.0 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 64' ' ' LEU . . . . . 0.744 HD23 ' N ' ' C' ' 64' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.395 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.382 179.639 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 82' ' ' LEU . . . . . 0.632 ' C ' HD12 ' D' ' 82' ' ' LEU . 3.1 pp . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 83' ' ' LEU . . . . . 1.069 HD23 ' H ' ' D' ' 84' ' ' ALA . 0.6 OUTLIER -62.21 -44.24 97.01 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.821 179.046 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D ' 84' ' ' ALA . . . . . 1.069 ' H ' HD23 ' D' ' 83' ' ' LEU . . . -71.6 -26.02 62.41 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 114.799 -1.091 . . . . 0.0 110.579 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 85' ' ' ALA . . . . . 0.978 ' HB1' ' CB ' ' D' ' 126' ' ' LEU . . . -52.46 -26.55 13.16 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.175 179.607 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 86' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -123.18 -44.18 2.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.648 178.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 87' ' ' ARG . . . . . 0.734 ' HB3' ' O ' ' D' ' 83' ' ' LEU . 27.4 ttt85 -57.91 -54.76 43.23 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.98 178.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 88' ' ' ALA . . . . . 0.74 ' HB3' ' O ' ' D' ' 84' ' ' ALA . . . -56.95 -44.29 82.4 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.976 -1.011 . . . . 0.0 111.18 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 89' ' ' VAL . . . . . 0.862 HG13 ' CD1' ' D' ' 117' ' ' PHE . 53.1 t -61.49 -32.18 52.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.716 179.738 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 31.0 t -76.21 -28.35 57.18 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.469 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 91' ' ' GLN . . . . . 0.669 ' HG3' ' O ' ' D' ' 87' ' ' ARG . 3.6 mt-30 -71.39 -51.42 24.17 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-O 121.16 0.505 . . . . 0.0 109.805 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 92' ' ' VAL . . . . . 0.86 HG11 ' CD2' ' C' ' 18' ' ' LEU . 3.8 t -67.75 -28.13 40.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.103 179.317 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 93' ' ' LEU . . . . . 0.738 HD21 ' HA ' ' D' ' 114' ' ' HIS . 2.1 mt -66.81 -41.18 87.95 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.187 179.665 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.85 -30.82 28.38 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.977 0.418 . . . . 0.0 110.918 -179.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 95' ' ' SER . . . . . 0.844 ' HB3' HD21 ' C' ' 33' ' ' LEU . 15.4 m -80.27 -25.54 39.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.966 -0.561 . . . . 0.0 112.087 -179.361 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 96' ' ' LEU . . . . . 0.889 HD22 HD22 ' D' ' 110' ' ' LEU . 0.2 OUTLIER -38.06 -52.2 1.4 Allowed 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -179.002 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 63.0 mt-10 -69.36 -29.07 66.79 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.912 0.387 . . . . 0.0 111.05 -179.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 98' ' ' GLU . . . . . 0.814 ' O ' ' HB3' ' D' ' 101' ' ' ALA . 0.1 OUTLIER -69.35 -34.58 74.81 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 177.769 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D ' 99' ' ' ILE . . . . . 0.679 HG23 HG21 ' D' ' 103' ' ' THR . 38.1 mt -62.34 -50.04 81.51 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.829 0 CA-C-N 114.426 -1.261 . . . . 0.0 110.012 178.555 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 100' ' ' HIS . . . . . 0.896 ' HB2' HD11 ' D' ' 110' ' ' LEU . 1.9 t-160 -55.84 -33.66 64.72 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 178.218 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 101' ' ' ALA . . . . . 0.814 ' HB3' ' O ' ' D' ' 98' ' ' GLU . . . -57.57 -45.69 84.88 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 114.39 -1.277 . . . . 0.0 111.97 179.397 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 102' ' ' LEU . . . . . 0.803 HD21 ' OE2' ' D' ' 98' ' ' GLU . 0.4 OUTLIER -117.53 26.5 9.68 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.793 -177.532 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D ' 103' ' ' THR . . . . . 0.694 HG23 HD12 ' D' ' 102' ' ' LEU . 31.4 p -141.1 -31.77 0.58 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.714 0.292 . . . . 0.0 111.512 179.626 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 4.5 t0 67.9 27.46 7.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.908 0.385 . . . . 0.0 110.536 -179.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 105' ' ' SER . . . . . 0.423 ' HB3' ' CZ ' ' C' ' 21' ' ' TYR . 11.1 m -53.73 -77.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.79 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 106' ' ' SER . . . . . . . . . . . . . 6.5 t 167.95 104.86 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.417 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -47.38 -31.97 4.5 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.885 0.374 . . . . 0.0 110.601 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 7.7 mmmt -67.26 -47.19 71.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.692 178.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 109' ' ' ASP . . . . . 0.695 ' O ' HD12 ' D' ' 113' ' ' LEU . 47.1 m-20 -63.59 -34.72 78.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.791 179.007 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 110' ' ' LEU . . . . . 0.896 HD11 ' HB2' ' D' ' 100' ' ' HIS . 22.2 mt -62.61 -42.99 99.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.073 179.108 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 111' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -61.3 -41.97 97.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.531 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 112' ' ' PHE . . . . . 0.499 ' O ' HG23 ' D' ' 116' ' ' VAL . 0.7 OUTLIER -58.61 -44.25 89.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.165 179.683 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D ' 113' ' ' LEU . . . . . 0.695 HD12 ' O ' ' D' ' 109' ' ' ASP . 0.5 OUTLIER -70.22 -34.05 72.42 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.651 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D ' 114' ' ' HIS . . . . . 0.797 ' CD2' HD12 ' D' ' 96' ' ' LEU . 37.4 m170 -58.18 -35.03 70.99 Favored 'General case' 0 CA--C 1.517 -0.293 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 178.267 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 115' ' ' SER . . . . . 0.43 ' HA ' ' HB2' ' D' ' 118' ' ' GLN . 1.3 t -73.94 -38.15 64.35 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 108.887 -0.782 . . . . 0.0 108.887 178.579 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 116' ' ' VAL . . . . . 0.851 ' O ' HD22 ' D' ' 122' ' ' LEU . 54.9 t -59.16 -23.58 25.04 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.147 178.555 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 117' ' ' PHE . . . . . 0.862 ' CD1' HG13 ' D' ' 89' ' ' VAL . 44.3 m-85 -105.62 -30.96 9.16 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.436 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 118' ' ' GLN . . . . . 0.43 ' HB2' ' HA ' ' D' ' 115' ' ' SER . 0.0 OUTLIER -60.98 -33.71 73.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.457 -179.207 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -45.44 118.8 1.87 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.488 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 120' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -63.32 -46.49 86.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.863 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 121' ' ' HIS . . . . . . . . . . . . . 48.9 m-70 -55.95 -34.33 65.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.588 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 122' ' ' LEU . . . . . 0.851 HD22 ' O ' ' D' ' 116' ' ' VAL . 28.4 tp -56.29 -47.61 78.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.063 179.481 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 123' ' ' HIS . . . . . 0.839 ' HA ' HD12 ' D' ' 126' ' ' LEU . 12.2 m-70 -52.44 -25.81 11.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.843 179.082 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 124' ' ' THR . . . . . 0.593 HG22 HD11 ' D' ' 128' ' ' LEU . 3.2 m -78.47 -34.36 47.69 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.511 178.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 125' ' ' LEU . . . . . 0.855 HD13 HG12 ' C' ' 53' ' ' ILE . 33.8 mt -66.5 -45.18 80.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.287 -0.87 . . . . 0.0 111.213 179.706 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 126' ' ' LEU . . . . . 0.978 ' CB ' ' HB1' ' D' ' 85' ' ' ALA . 0.1 OUTLIER -73.14 -37.1 66.74 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.821 -179.674 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D ' 127' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.07 -52.4 65.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.952 0.406 . . . . 0.0 110.873 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 128' ' ' LEU . . . . . 0.922 HD21 ' CD2' ' A' ' 59' ' ' TYR . 3.2 mt -73.09 -33.15 65.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.8 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 129' ' ' TYR . . . . . 0.907 ' CE2' HG23 ' C' ' 43' ' ' ILE . 0.6 OUTLIER -55.69 -51.9 65.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.154 -179.497 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D ' 130' ' ' ASP . . . . . 0.472 ' CB ' ' HB3' ' D' ' 82' ' ' LEU . 3.4 m-20 -75.75 -35.4 60.18 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.035 -179.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.77 -46.57 74.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.064 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 132' ' ' ILE . . . . . 0.579 ' HB ' HD21 ' C' ' 48' ' ' LEU . 3.1 mt -76.22 -40.06 35.86 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 CA-C-O 120.988 0.423 . . . . 0.0 110.586 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 133' ' ' ASN . . . . . . . . . . . . . 26.7 t30 . . . . . 0 C--N 1.326 -0.453 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.023 -179.626 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.709 ' O ' HG23 ' A' ' 11' ' ' THR . 2.2 mtm-85 . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.277 0.084 . . . . 0.0 111.082 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.628 ' HB3' HG21 ' A' ' 53' ' ' ILE . 0.0 OUTLIER -76.51 -25.8 54.58 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 179.103 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.422 ' NE2' ' HD2' ' A' ' 8' ' ' LYS . 1.2 mm-40 -80.31 -34.57 36.67 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 177.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.746 ' HB3' HG22 ' B' ' 116' ' ' VAL . 1.1 m-20 -76.59 -30.05 56.82 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.152 179.241 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.709 HG23 ' O ' ' A' ' 7' ' ' ARG . 20.7 p -72.89 -44.21 61.56 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.648 179.537 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -68.12 -36.59 79.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.316 179.603 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -73.91 -25.28 59.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.041 179.045 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.923 ' CB ' HG11 ' B' ' 116' ' ' VAL . . . -78.24 -54.81 5.82 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.556 178.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.733 HD22 ' HB3' ' A' ' 44' ' ' PHE . 0.4 OUTLIER -60.49 -26.34 66.75 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.594 179.198 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -73.19 -46.27 51.54 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 178.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.898 HD22 ' CE1' ' A' ' 21' ' ' TYR . 5.5 mt -62.44 -34.97 77.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.377 178.685 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.795 HD22 HG11 ' B' ' 92' ' ' VAL . 44.8 mt -64.2 -41.37 97.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.572 179.518 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.26 -44.98 96.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.72 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -73.2 -33.61 65.49 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.995 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.898 ' CE1' HD22 ' A' ' 17' ' ' LEU . 9.4 m-30 -65.99 -47.01 75.94 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.763 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.46 ' HA ' HD13 ' A' ' 37' ' ' ILE . 4.0 ptt180 -62.99 -42.52 99.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.912 0.387 . . . . 0.0 110.534 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.1 m -59.71 -35.37 74.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.01 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.6 ptmt -95.42 -18.58 20.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.494 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.817 HD12 HD11 ' A' ' 37' ' ' ILE . 0.3 OUTLIER -70.42 -65.76 0.69 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.026 0.441 . . . . 0.0 111.047 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.51 ' HB3' ' HB2' ' A' ' 34' ' ' ARG . 1.5 p -58.99 -159.97 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.133 -179.627 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 59.72 29.19 18.75 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.608 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.662 HG23 ' H ' ' A' ' 29' ' ' GLU . 5.0 t -152.77 -59.25 0.14 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.181 -179.658 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.662 ' H ' HG23 ' A' ' 28' ' ' THR . 14.7 pt-20 -175.37 28.16 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.644 -179.347 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.428 ' CB ' HD22 ' A' ' 25' ' ' LEU . 4.9 m-20 -146.01 48.06 1.23 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.985 0.422 . . . . 0.0 111.113 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.3 mmt180 -58.38 -50.44 73.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.183 0.516 . . . . 0.0 110.149 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -57.52 -47.22 82.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.067 179.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.95 HD21 ' HB2' ' B' ' 95' ' ' SER . 7.0 tp -55.32 -29.72 58.82 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.031 179.273 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.735 ' HA ' HD12 ' A' ' 37' ' ' ILE . 5.8 ttp180 -66.4 -42.71 87.44 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 178.384 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.515 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 1.3 m -62.13 -27.84 69.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.945 -1.025 . . . . 0.0 111.069 179.51 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.595 ' HB3' ' NE2' ' B' ' 91' ' ' GLN . 0.2 OUTLIER -75.96 -44.7 38.59 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.282 0.563 . . . . 0.0 110.28 179.526 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.817 HD11 HD12 ' A' ' 25' ' ' LEU . 4.1 mt -64.13 -41.3 92.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.379 179.143 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.551 ' HA ' HG12 ' A' ' 41' ' ' ILE . 8.1 pt-20 -64.6 -43.73 92.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.013 -179.15 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.514 ' HG2' ' O ' ' A' ' 36' ' ' SER . 6.0 ptp180 -59.69 -38.77 82.44 Favored 'General case' 0 CA--C 1.52 -0.21 0 C-N-CA 120.198 -0.601 . . . . 0.0 109.615 179.677 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 36' ' ' SER . 95.0 t -60.91 -40.71 86.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 178.012 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.677 HD11 ' HB3' ' A' ' 18' ' ' LEU . 12.8 mm -53.97 -57.71 5.1 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.722 179.766 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.6 p -58.38 -47.7 83.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.953 0.406 . . . . 0.0 110.867 -179.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.903 HG23 ' CE2' ' B' ' 129' ' ' TYR . 11.0 mt -59.92 -34.78 57.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.053 179.279 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.733 ' HB3' HD22 ' A' ' 15' ' ' LEU . 1.3 m-85 -72.29 -56.23 5.85 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.943 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.593 ' NE2' HG22 ' A' ' 41' ' ' ILE . 5.7 pt20 -78.64 -2.64 40.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.64 -179.204 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.536 ' HG ' ' HE1' ' B' ' 129' ' ' TYR . 0.2 OUTLIER -48.2 134.2 14.66 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.904 0.383 . . . . 0.0 110.884 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -52.15 -33.96 42.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.392 -179.54 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.852 ' O ' HD12 ' A' ' 48' ' ' LEU . 1.2 tp -79.77 -44.69 20.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.44 -179.766 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.819 ' CE1' HD11 ' A' ' 53' ' ' ILE . 37.4 t80 -50.24 -52.94 31.9 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 121.011 -0.276 . . . . 0.0 110.866 -179.202 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.554 ' OE1' HD12 ' A' ' 53' ' ' ILE . 23.5 mm-40 -60.27 -36.38 77.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.894 0.378 . . . . 0.0 110.044 179.212 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' A' ' 48' ' ' LEU . . . -58.63 -43.06 89.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.157 179.294 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.722 HD13 ' O ' ' B' ' 125' ' ' LEU . 0.5 OUTLIER -60.9 -43.7 98.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.723 178.885 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.819 HD11 ' CE1' ' A' ' 49' ' ' PHE . 35.0 mt -54.22 -36.91 34.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.269 179.112 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.03 -31.86 64.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.518 179.467 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.658 HG22 ' HB2' ' A' ' 59' ' ' TYR . 68.5 mt -68.97 -46.42 78.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.919 179.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -52.93 -21.75 4.73 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.581 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -46.09 -35.72 5.19 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.136 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.411 ' HA ' ' HG ' ' C' ' 64' ' ' LEU . 12.9 m-85 -152.37 21.44 0.64 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.66 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.962 ' CD2' HD21 ' D' ' 128' ' ' LEU . 34.9 m-85 -127.21 64.42 1.32 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.6 179.502 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.408 ' HB2' ' HB ' ' C' ' 62' ' ' THR . 1.6 mm-40 -50.74 94.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.414 -179.617 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.613 HG23 HG21 ' B' ' 124' ' ' THR . 0.2 OUTLIER -76.93 107.44 8.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.966 179.694 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.529 HG22 ' HB2' ' C' ' 60' ' ' GLU . 0.4 OUTLIER -95.77 130.26 42.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.716 -179.854 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.41 HD11 ' CZ ' ' C' ' 59' ' ' TYR . 0.1 OUTLIER -91.54 133.03 35.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.594 179.724 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.615 ' N ' HD23 ' A' ' 64' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.953 -179.762 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . 0.701 HD22 ' HB2' ' B' ' 130' ' ' ASP . 0.3 OUTLIER . . . . . 0 N--CA 1.455 -0.214 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . 0.949 HD23 ' H ' ' B' ' 84' ' ' ALA . 0.5 OUTLIER -87.23 -41.34 13.78 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 114.308 -1.315 . . . . 0.0 110.96 -179.622 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 0.949 ' H ' HD23 ' B' ' 83' ' ' LEU . . . -76.48 -20.93 56.48 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.208 -0.905 . . . . 0.0 112.205 -178.085 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 85' ' ' ALA . . . . . 0.844 ' HB1' ' HB3' ' B' ' 126' ' ' LEU . . . -52.69 -24.91 9.51 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.227 0.537 . . . . 0.0 110.059 179.387 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -125.05 -44.64 1.9 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.636 178.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 87' ' ' ARG . . . . . 0.646 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 12.1 ttt85 -57.8 -49.65 75.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.36 179.077 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . 0.855 ' HB2' ' HB1' ' B' ' 84' ' ' ALA . . . -57.75 -44.73 86.29 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.575 -179.121 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 89' ' ' VAL . . . . . 0.503 HG12 ' HB3' ' B' ' 117' ' ' PHE . 34.6 t -63.58 -30.32 49.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.56 179.613 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 13.0 t -75.46 -28.18 59.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.128 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 91' ' ' GLN . . . . . 0.602 ' HG3' ' O ' ' B' ' 87' ' ' ARG . 2.3 mt-30 -69.54 -53.28 19.76 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 179.475 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 92' ' ' VAL . . . . . 0.795 HG11 HD22 ' A' ' 18' ' ' LEU . 3.2 t -65.63 -28.1 43.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.791 178.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 93' ' ' LEU . . . . . 0.754 HD21 ' HA ' ' B' ' 114' ' ' HIS . 2.7 mt -66.24 -38.43 87.87 Favored 'General case' 0 C--O 1.23 0.068 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.455 179.666 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -80.2 -38.62 30.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.988 0.423 . . . . 0.0 110.797 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 95' ' ' SER . . . . . 0.95 ' HB2' HD21 ' A' ' 33' ' ' LEU . 2.2 p -79.58 -21.4 45.07 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.573 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . 1.085 HD22 HD22 ' B' ' 110' ' ' LEU . 0.2 OUTLIER -34.83 -52.95 0.55 Allowed 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -179.162 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -70.18 -29.35 66.21 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.285 -179.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . 0.79 ' O ' ' HB3' ' B' ' 101' ' ' ALA . 0.4 OUTLIER -70.12 -34.1 72.67 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 177.874 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 99' ' ' ILE . . . . . 0.556 ' O ' HG23 ' B' ' 103' ' ' THR . 19.3 mt -62.55 -49.17 84.9 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.869 0 CA-C-N 114.513 -1.221 . . . . 0.0 109.817 178.624 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 100' ' ' HIS . . . . . 0.775 ' HB2' HD11 ' B' ' 110' ' ' LEU . 2.0 t-160 -57.01 -34.85 68.58 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 178.187 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 101' ' ' ALA . . . . . 0.79 ' HB3' ' O ' ' B' ' 98' ' ' GLU . . . -54.29 -46.1 72.68 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 114.562 -1.199 . . . . 0.0 111.557 179.298 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 102' ' ' LEU . . . . . 0.659 HD12 HG23 ' B' ' 103' ' ' THR . 0.4 OUTLIER -116.94 33.38 5.64 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.443 -0.798 . . . . 0.0 112.465 -177.766 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 103' ' ' THR . . . . . 0.659 HG23 HD12 ' B' ' 102' ' ' LEU . 43.5 p -147.85 -32.86 0.26 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 111.675 0.25 . . . . 0.0 111.675 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 1.6 t0 74.77 25.6 1.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.038 0.447 . . . . 0.0 110.545 -179.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 105' ' ' SER . . . . . 0.452 ' HB3' ' CZ ' ' A' ' 21' ' ' TYR . 3.7 m -65.12 -12.1 47.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.459 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 106' ' ' SER . . . . . 0.411 ' CB ' ' O ' ' B' ' 105' ' ' SER . 1.6 p 80.62 123.34 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.886 0.374 . . . . 0.0 110.965 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -55.73 -31.02 62.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.939 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 19.0 mmtt -54.41 -53.51 53.07 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.093 0.473 . . . . 0.0 110.316 179.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 109' ' ' ASP . . . . . 0.625 ' O ' HD12 ' B' ' 113' ' ' LEU . 4.7 m-20 -62.05 -40.17 94.84 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.859 179.167 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 110' ' ' LEU . . . . . 1.085 HD22 HD22 ' B' ' 96' ' ' LEU . 28.5 mt -59.71 -39.81 85.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.351 179.221 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 111' ' ' ASP . . . . . 0.432 ' HA ' ' HD2' ' B' ' 114' ' ' HIS . 82.8 m-20 -62.5 -44.91 95.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.773 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 112' ' ' PHE . . . . . 0.567 ' O ' HG23 ' B' ' 116' ' ' VAL . 0.8 OUTLIER -58.29 -38.79 77.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.424 179.758 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 113' ' ' LEU . . . . . 0.716 HD11 ' CD1' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -74.94 -28.16 60.48 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.005 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 114' ' ' HIS . . . . . 0.754 ' HA ' HD21 ' B' ' 93' ' ' LEU . 0.0 OUTLIER -64.13 -35.77 81.84 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 178.666 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 2.8 m -76.23 -37.66 57.42 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 178.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 116' ' ' VAL . . . . . 0.923 HG11 ' CB ' ' A' ' 14' ' ' ALA . 41.0 t -62.43 -24.7 35.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.915 178.463 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 117' ' ' PHE . . . . . 0.63 ' CZ ' HD11 ' A' ' 18' ' ' LEU . 20.7 m-85 -98.95 -34.28 10.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.74 -0.663 . . . . 0.0 111.144 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 118' ' ' GLN . . . . . 0.471 ' NE2' HD11 ' B' ' 93' ' ' LEU . 0.0 OUTLIER -63.63 -28.51 69.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.227 -179.479 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -44.91 114.14 0.67 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.558 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -60.72 -43.88 97.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.748 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 121' ' ' HIS . . . . . 0.415 ' O ' ' HG ' ' B' ' 125' ' ' LEU . 8.7 m170 -57.11 -34.63 68.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.636 179.766 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . 0.91 HD12 HD12 ' B' ' 125' ' ' LEU . 38.5 tp -56.16 -49.06 75.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.507 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 123' ' ' HIS . . . . . 0.989 ' HA ' HD12 ' B' ' 126' ' ' LEU . 16.6 m170 -54.34 -26.36 29.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.074 179.071 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 124' ' ' THR . . . . . 0.613 HG21 HG23 ' A' ' 61' ' ' VAL . 1.4 m -74.26 -37.19 63.81 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 178.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . 0.91 HD12 HD12 ' B' ' 122' ' ' LEU . 4.0 mt -71.89 -33.85 68.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.479 178.584 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . 0.989 HD12 ' HA ' ' B' ' 123' ' ' HIS . 4.3 mt -73.13 -50.1 24.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.965 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -59.69 -53.37 58.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.105 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . 0.927 HD21 ' CD2' ' C' ' 59' ' ' TYR . 17.6 mt -62.53 -34.93 77.9 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.549 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 129' ' ' TYR . . . . . 0.903 ' CE2' HG23 ' A' ' 43' ' ' ILE . 0.9 OUTLIER -56.05 -50.45 70.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.964 -179.838 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 130' ' ' ASP . . . . . 0.701 ' HB2' HD22 ' B' ' 82' ' ' LEU . 0.0 OUTLIER -75.42 -34.33 61.02 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.028 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.94 -49.68 70.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.231 -179.673 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 132' ' ' ILE . . . . . 0.66 HD12 ' O ' ' B' ' 128' ' ' LEU . 2.7 mt -75.02 -39.39 44.17 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.433 0 CA-C-O 120.798 0.333 . . . . 0.0 110.879 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 133' ' ' ASN . . . . . 0.428 ' HB2' ' O ' ' B' ' 129' ' ' TYR . 0.2 OUTLIER -60.68 -25.61 66.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.966 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 134' ' ' THR . . . . . 0.649 HG22 ' O ' ' B' ' 134' ' ' THR . 58.6 m -95.12 33.22 1.56 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.078 0.466 . . . . 0.0 111.159 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 2.5 mttm -142.5 -40.15 0.34 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.235 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 81.1 p . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.172 -179.933 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 7' ' ' ARG . . . . . 0.45 ' HA ' ' OD2' ' C' ' 10' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.159 0 CA-C-O 120.518 0.199 . . . . 0.0 110.67 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 8' ' ' LYS . . . . . 0.813 ' HG2' HG21 ' C' ' 53' ' ' ILE . 2.5 mttm -67.06 -30.62 70.72 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 121.194 0.521 . . . . 0.0 110.026 178.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 35.3 mm-40 -80.32 -30.41 38.12 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.292 179.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 10' ' ' ASP . . . . . 0.504 ' OD1' ' N ' ' C' ' 11' ' ' THR . 13.9 p30 -83.94 -28.84 27.54 Favored 'General case' 0 C--N 1.333 -0.136 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.136 179.367 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 11' ' ' THR . . . . . 0.504 ' N ' ' OD1' ' C' ' 10' ' ' ASP . 13.3 p -73.35 -40.3 64.51 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.903 178.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.3 -49.16 58.5 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.109 179.161 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.06 -23.8 67.28 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.991 178.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 14' ' ' ALA . . . . . 0.73 ' CB ' HG11 ' D' ' 116' ' ' VAL . . . -78.28 -54.2 6.48 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.831 179.177 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 15' ' ' LEU . . . . . 0.917 HD22 ' HB3' ' C' ' 44' ' ' PHE . 0.5 OUTLIER -67.13 -28.55 68.23 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.464 179.496 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 16' ' ' HIS . . . . . . . . . . . . . 22.2 t-80 -68.81 -44.31 73.78 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 178.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . 0.73 HD22 ' CE1' ' C' ' 21' ' ' TYR . 3.5 mt -65.79 -34.37 78.02 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.299 178.33 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . 0.926 ' CD2' HG11 ' D' ' 92' ' ' VAL . 20.1 mt -62.55 -50.33 71.78 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.873 179.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 19' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' C' ' 20' ' ' GLU . 5.4 pt-20 -60.72 -33.98 73.71 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.702 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 20' ' ' GLU . . . . . 0.41 ' N ' ' HG3' ' C' ' 19' ' ' GLU . 47.5 mt-10 -75.07 -37.27 61.66 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-O 121.117 0.484 . . . . 0.0 110.011 179.287 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 21' ' ' TYR . . . . . 0.73 ' CE1' HD22 ' C' ' 17' ' ' LEU . 16.2 m-30 -67.23 -47.37 70.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.433 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 22' ' ' ARG . . . . . 0.46 ' HG3' ' N ' ' C' ' 23' ' ' SER . 0.1 OUTLIER -59.18 -43.28 92.17 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.805 0.335 . . . . 0.0 110.467 179.465 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 23' ' ' SER . . . . . 0.46 ' N ' ' HG3' ' C' ' 22' ' ' ARG . 3.6 m -59.7 -35.81 75.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.363 179.412 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 24' ' ' LYS . . . . . 0.454 ' O ' HG22 ' D' ' 103' ' ' THR . 7.6 ptmt -100.48 6.05 44.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.262 179.671 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 25' ' ' LEU . . . . . 0.891 HD12 HD11 ' C' ' 37' ' ' ILE . 0.3 OUTLIER -95.72 -67.02 0.87 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.914 0.388 . . . . 0.0 111.227 -179.638 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . 0.541 ' HB3' ' HB2' ' C' ' 34' ' ' ARG . 1.8 p -59.89 -159.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.166 -179.292 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 27' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 59.05 29.58 19.17 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.496 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 28' ' ' THR . . . . . 0.689 HG23 ' H ' ' C' ' 29' ' ' GLU . 4.4 t -151.73 -60.64 0.17 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.285 -179.461 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 29' ' ' GLU . . . . . 0.689 ' H ' HG23 ' C' ' 28' ' ' THR . 17.2 pt-20 -174.19 28.8 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.721 -179.154 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 30' ' ' ASP . . . . . 0.606 ' HB2' HD22 ' C' ' 25' ' ' LEU . 4.0 m-20 -149.25 49.83 0.96 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.904 0.383 . . . . 0.0 111.078 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.99 -55.01 37.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.349 0.595 . . . . 0.0 110.572 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 3.9 tm0? -52.44 -48.26 65.89 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.45 -0.795 . . . . 0.0 109.93 179.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 33' ' ' LEU . . . . . 0.821 HD21 ' HB2' ' D' ' 95' ' ' SER . 9.2 tp -54.43 -34.37 61.25 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.96 178.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 34' ' ' ARG . . . . . 0.541 ' HB2' ' HB3' ' C' ' 26' ' ' SER . 5.3 ttp180 -60.88 -43.46 98.4 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.434 178.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.48 -35.83 74.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.238 179.228 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 36' ' ' SER . . . . . 0.526 ' HB3' HE21 ' D' ' 91' ' ' GLN . 67.4 m -62.36 -51.81 66.11 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.598 179.711 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 37' ' ' ILE . . . . . 0.891 HD11 HD12 ' C' ' 25' ' ' LEU . 7.6 mt -58.57 -41.84 83.07 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.325 0 CA-C-O 121.397 0.618 . . . . 0.0 109.389 178.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -58.29 -52.07 67.14 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.786 -1.097 . . . . 0.0 112.017 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 39' ' ' ARG . . . . . 0.53 ' HG3' ' HB1' ' D' ' 88' ' ' ALA . 6.0 ptp180 -55.74 -37.78 68.93 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.396 -0.522 . . . . 0.0 110.236 -179.607 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . 0.586 HG12 ' CD2' ' C' ' 44' ' ' PHE . 64.4 t -64.87 -33.61 64.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 178.289 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 41' ' ' ILE . . . . . 0.833 HD11 ' CB ' ' C' ' 18' ' ' LEU . 44.4 mm -68.41 -60.13 2.86 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.132 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.175 179.501 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 20.3 p -53.63 -46.72 70.58 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.053 0.454 . . . . 0.0 110.333 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 43' ' ' ILE . . . . . 0.453 HG23 ' CE2' ' D' ' 129' ' ' TYR . 15.8 mt -60.07 -33.14 52.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.705 178.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 44' ' ' PHE . . . . . 0.917 ' HB3' HD22 ' C' ' 15' ' ' LEU . 0.4 OUTLIER -72.53 -58.72 3.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.711 179.49 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 45' ' ' GLN . . . . . 0.685 ' NE2' HG22 ' C' ' 41' ' ' ILE . 29.6 mt-30 -62.89 -22.37 66.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.61 -0.723 . . . . 0.0 112.162 -178.637 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 46' ' ' SER . . . . . 0.432 ' CB ' ' CE1' ' D' ' 129' ' ' TYR . 0.2 OUTLIER -41.13 156.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.91 0.386 . . . . 0.0 111.744 -179.378 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -79.53 -33.51 41.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.463 -179.383 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . 0.783 HD12 ' HA ' ' D' ' 129' ' ' TYR . 0.4 OUTLIER -69.35 -45.91 68.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.993 0.425 . . . . 0.0 110.124 179.879 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 49' ' ' PHE . . . . . 0.87 ' CE2' HD11 ' C' ' 53' ' ' ILE . 68.7 t80 -51.48 -56.01 15.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.233 -179.608 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -54.76 -38.8 67.64 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.596 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 51' ' ' ALA . . . . . 0.451 ' CB ' HG23 ' B' ' 132' ' ' ILE . . . -58.87 -46.32 88.07 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.459 179.522 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 52' ' ' LEU . . . . . 0.456 HD12 HD12 ' C' ' 48' ' ' LEU . 2.3 mt -60.12 -45.09 94.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.201 179.327 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 53' ' ' ILE . . . . . 0.87 HD11 ' CE2' ' C' ' 49' ' ' PHE . 59.3 mt -55.09 -35.77 36.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.42 179.493 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.34 -39.16 81.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.063 179.288 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 55' ' ' ILE . . . . . 0.791 HG22 ' HB2' ' C' ' 59' ' ' TYR . 78.0 mt -57.73 -42.32 81.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.637 179.406 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 56' ' ' GLN . . . . . 0.726 HE22 HD21 ' D' ' 125' ' ' LEU . 0.6 OUTLIER -53.73 -23.34 11.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.457 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 57' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -49.19 -31.34 8.32 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.307 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 58' ' ' PHE . . . . . 0.48 ' HA ' ' HG ' ' A' ' 64' ' ' LEU . 48.7 m-85 -154.37 25.85 0.47 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.477 -0.328 . . . . 0.0 111.637 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 59' ' ' TYR . . . . . 0.927 ' CD2' HD21 ' B' ' 128' ' ' LEU . 68.8 m-85 -137.7 107.7 6.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.85 179.659 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 60' ' ' GLU . . . . . 0.529 ' HB2' HG22 ' A' ' 62' ' ' THR . 4.3 mm-40 -90.2 98.41 11.75 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.58 179.698 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 61' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -72.56 96.62 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.002 0.43 . . . . 0.0 110.632 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 62' ' ' THR . . . . . 0.408 ' HB ' ' HB2' ' A' ' 60' ' ' GLU . 18.0 m -81.13 123.71 28.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.62 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 63' ' ' LEU . . . . . 0.642 HD11 ' CZ ' ' A' ' 59' ' ' TYR . 5.7 tp -94.99 121.23 36.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.953 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 64' ' ' LEU . . . . . 0.769 HD23 ' N ' ' C' ' 64' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.638 179.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 82' ' ' LEU . . . . . 0.846 ' N ' HD23 ' D' ' 82' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 121.037 0.446 . . . . 0.0 110.263 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 83' ' ' LEU . . . . . 0.862 HD23 ' H ' ' D' ' 84' ' ' ALA . 0.3 OUTLIER -67.83 -40.64 83.73 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.18 -179.922 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 84' ' ' ALA . . . . . 0.996 ' HB1' ' HB2' ' D' ' 88' ' ' ALA . . . -93.31 -17.49 23.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.53 -0.759 . . . . 0.0 112.042 -178.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 85' ' ' ALA . . . . . 0.85 ' HB1' ' HB2' ' D' ' 126' ' ' LEU . . . -52.0 -23.43 5.14 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.157 0.503 . . . . 0.0 110.566 -179.679 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 86' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -126.05 -38.4 2.17 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.587 178.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 87' ' ' ARG . . . . . 0.749 ' HB3' ' O ' ' D' ' 83' ' ' LEU . 35.2 ttt180 -62.99 -53.11 59.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.144 178.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 88' ' ' ALA . . . . . 0.996 ' HB2' ' HB1' ' D' ' 84' ' ' ALA . . . -57.77 -43.91 85.82 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.971 179.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 89' ' ' VAL . . . . . 0.618 HG12 ' HB3' ' D' ' 117' ' ' PHE . 38.9 t -72.03 -35.02 52.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.457 179.28 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 90' ' ' SER . . . . . 0.407 ' HA ' ' HB2' ' D' ' 93' ' ' LEU . 8.2 m -75.26 -26.09 58.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.371 179.081 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 91' ' ' GLN . . . . . 0.526 HE21 ' HB3' ' C' ' 36' ' ' SER . 16.6 mt-30 -66.89 -57.29 7.25 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-O 121.369 0.604 . . . . 0.0 109.526 179.289 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 92' ' ' VAL . . . . . 0.926 HG11 ' CD2' ' C' ' 18' ' ' LEU . 9.4 t -65.02 -27.83 43.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.063 -0.971 . . . . 0.0 109.933 179.222 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 93' ' ' LEU . . . . . 0.786 HD21 ' HA ' ' D' ' 114' ' ' HIS . 3.4 mt -66.74 -35.28 79.73 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.485 179.627 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -87.14 -34.42 19.09 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.716 0.293 . . . . 0.0 111.493 -179.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 95' ' ' SER . . . . . 0.821 ' HB2' HD21 ' C' ' 33' ' ' LEU . 2.9 p -79.6 -20.75 46.15 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.888 -179.428 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 96' ' ' LEU . . . . . 0.722 HD13 ' HB3' ' D' ' 110' ' ' LEU . 0.1 OUTLIER -38.04 -50.58 1.36 Allowed 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -179.234 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -69.16 -31.82 70.73 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.058 -179.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 98' ' ' GLU . . . . . 0.807 ' OE2' HD21 ' D' ' 102' ' ' LEU . 0.0 OUTLIER -68.87 -34.91 76.23 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 177.864 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 99' ' ' ILE . . . . . 0.579 HG23 HG21 ' D' ' 103' ' ' THR . 26.9 mt -60.69 -50.1 81.83 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.792 0 CA-C-N 114.454 -1.248 . . . . 0.0 110.174 178.726 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 100' ' ' HIS . . . . . 0.775 ' HB2' HD11 ' D' ' 110' ' ' LEU . 10.9 t-160 -54.59 -39.12 67.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 122.018 0.913 . . . . 0.0 108.645 178.316 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 101' ' ' ALA . . . . . 0.797 ' HB3' ' O ' ' D' ' 98' ' ' GLU . . . -52.39 -45.79 65.99 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 113.748 -1.569 . . . . 0.0 112.194 179.633 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 102' ' ' LEU . . . . . 0.807 HD21 ' OE2' ' D' ' 98' ' ' GLU . 0.4 OUTLIER -117.67 25.33 10.47 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 -177.381 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 103' ' ' THR . . . . . 0.698 HG23 HD12 ' D' ' 102' ' ' LEU . 31.3 p -142.26 -29.64 0.58 Allowed 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.974 -0.29 . . . . 0.0 111.617 179.611 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 37.9 t70 64.79 28.53 12.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.991 0.424 . . . . 0.0 110.078 -179.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 105' ' ' SER . . . . . 0.439 ' HB3' ' CE1' ' C' ' 21' ' ' TYR . 0.1 OUTLIER -49.46 -83.1 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.178 -179.894 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 106' ' ' SER . . . . . . . . . . . . . 5.3 t 165.87 109.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.144 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 107' ' ' GLU . . . . . 0.673 ' HA ' HD12 ' D' ' 110' ' ' LEU . 0.1 OUTLIER -49.01 -38.06 22.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.882 0.372 . . . . 0.0 110.786 -179.833 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.47 -46.14 91.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.103 0.477 . . . . 0.0 109.963 179.201 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 109' ' ' ASP . . . . . 0.807 ' O ' HD12 ' D' ' 113' ' ' LEU . 7.2 m-20 -69.08 -31.78 70.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.829 178.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 110' ' ' LEU . . . . . 0.775 HD11 ' HB2' ' D' ' 100' ' ' HIS . 86.2 mt -67.41 -44.91 77.68 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.233 179.396 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 111' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.93 -38.37 90.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.51 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 112' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -61.67 -43.87 98.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.353 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 113' ' ' LEU . . . . . 0.807 HD12 ' O ' ' D' ' 109' ' ' ASP . 0.4 OUTLIER -70.79 -38.75 73.37 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.825 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 114' ' ' HIS . . . . . 0.786 ' HA ' HD21 ' D' ' 93' ' ' LEU . 0.0 OUTLIER -58.71 -33.68 70.46 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 178.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 115' ' ' SER . . . . . . . . . . . . . 23.9 p -72.66 -36.93 68.08 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 177.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 116' ' ' VAL . . . . . 0.749 ' O ' HD22 ' D' ' 122' ' ' LEU . 3.5 t -62.71 -30.74 50.06 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 CA-C-N 115.208 -0.905 . . . . 0.0 109.273 178.047 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 117' ' ' PHE . . . . . 0.636 ' CZ ' HD11 ' C' ' 18' ' ' LEU . 13.6 m-30 -93.59 -26.92 16.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.516 -179.632 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 118' ' ' GLN . . . . . 0.455 ' NE2' ' CD2' ' D' ' 114' ' ' HIS . 0.0 OUTLIER -69.15 -30.61 68.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.838 0.352 . . . . 0.0 111.158 -179.56 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -45.25 115.24 0.88 Allowed 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.372 -179.714 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 120' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -60.33 -35.67 76.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.823 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 121' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -64.9 -34.96 79.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.823 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 122' ' ' LEU . . . . . 0.865 ' O ' HD12 ' D' ' 126' ' ' LEU . 28.1 tp -56.54 -50.21 72.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.326 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 123' ' ' HIS . . . . . 0.444 ' HA ' HD13 ' D' ' 126' ' ' LEU . 13.7 m170 -51.79 -27.88 13.66 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.13 0.491 . . . . 0.0 110.228 178.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 124' ' ' THR . . . . . 0.747 HG22 HD11 ' D' ' 128' ' ' LEU . 3.9 m -74.73 -35.51 62.67 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 115.641 -0.708 . . . . 0.0 109.869 179.36 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 125' ' ' LEU . . . . . 0.726 HD21 HE22 ' C' ' 56' ' ' GLN . 16.2 mt -63.64 -44.83 92.7 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.78 179.683 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 126' ' ' LEU . . . . . 0.865 HD12 ' O ' ' D' ' 122' ' ' LEU . 2.6 mp -67.04 -42.93 83.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.811 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 127' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -59.7 -53.25 60.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.9 179.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 128' ' ' LEU . . . . . 0.962 HD21 ' CD2' ' A' ' 59' ' ' TYR . 4.1 mt -69.79 -29.37 66.67 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.256 179.514 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 129' ' ' TYR . . . . . 0.783 ' HA ' HD12 ' C' ' 48' ' ' LEU . 4.8 t80 -55.15 -52.28 63.78 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.18 -179.398 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 130' ' ' ASP . . . . . 0.502 ' HB3' ' CD2' ' D' ' 82' ' ' LEU . 7.5 t70 -77.03 -32.15 56.79 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.172 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 131' ' ' LYS . . . . . . . . . . . . . 7.8 tttt -54.57 -51.51 65.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.934 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 132' ' ' ILE . . . . . 0.729 ' CG2' HD13 ' A' ' 48' ' ' LEU . 3.0 mt -77.72 -42.7 29.28 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 CA-C-O 120.981 0.42 . . . . 0.0 110.781 179.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 133' ' ' ASN . . . . . . . . . . . . . 58.3 t-20 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.748 -179.976 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.416 HH21 HG22 ' B' ' 116' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.87 -38.06 84.28 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 121.084 0.469 . . . . 0.0 110.004 179.202 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 40.9 mm-40 -75.94 -32.26 59.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.228 179.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 -75.42 -32.2 60.62 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.235 179.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.6 p -71.57 -47.15 56.82 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.253 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.541 ' HA ' HD23 ' A' ' 15' ' ' LEU . 0.7 OUTLIER -63.19 -36.75 84.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.897 0.38 . . . . 0.0 110.189 179.597 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 -72.96 -25.52 61.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.177 179.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.796 ' CB ' HG11 ' B' ' 116' ' ' VAL . . . -78.21 -55.39 5.3 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 109.543 -0.539 . . . . 0.0 109.543 179.149 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.807 ' O ' HD12 ' A' ' 41' ' ' ILE . 0.4 OUTLIER -61.08 -28.67 69.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.21 179.477 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 18.4 t-160 -73.64 -44.47 56.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.123 0.487 . . . . 0.0 109.848 179.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.856 HD22 ' CZ ' ' A' ' 21' ' ' TYR . 1.3 mt -61.76 -49.5 76.15 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.703 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 1.065 HD22 HG11 ' B' ' 92' ' ' VAL . 1.1 mt -61.77 -32.87 73.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.296 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.456 ' CG ' HG21 ' A' ' 41' ' ' ILE . 5.5 mt-10 -58.7 -48.07 82.38 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.182 0.515 . . . . 0.0 110.12 179.033 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -70.91 -31.72 68.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.873 179.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.856 ' CZ ' HD22 ' A' ' 17' ' ' LEU . 16.5 m-30 -64.83 -47.53 77.65 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.762 179.715 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.421 ' HB3' HG21 ' A' ' 37' ' ' ILE . 0.9 OUTLIER -61.31 -41.87 97.71 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.757 0.313 . . . . 0.0 110.464 179.753 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 52.1 p -57.05 -38.92 73.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.276 179.244 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.9 ptmt -98.87 1.07 45.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.586 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 1.005 HD12 HD11 ' A' ' 37' ' ' ILE . 0.1 OUTLIER -89.2 -67.17 0.86 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.964 0.412 . . . . 0.0 111.258 -179.641 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.493 ' HB3' ' HB2' ' A' ' 34' ' ' ARG . 2.2 p -59.85 -159.24 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.122 -179.49 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.409 ' OE1' ' NH1' ' A' ' 31' ' ' ARG . 1.6 mp0 59.43 28.54 17.94 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 120.962 0.41 . . . . 0.0 110.619 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.701 HG23 ' H ' ' A' ' 29' ' ' GLU . 4.3 t -150.02 -60.49 0.2 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.201 -179.625 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.701 ' H ' HG23 ' A' ' 28' ' ' THR . 22.3 pt-20 -173.66 27.86 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.613 -0.722 . . . . 0.0 111.648 -179.256 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.507 ' HB2' HD22 ' A' ' 25' ' ' LEU . 6.5 m-20 -147.53 54.85 1.07 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.034 0.445 . . . . 0.0 110.87 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.409 ' NH1' ' OE1' ' A' ' 27' ' ' GLN . 0.4 OUTLIER -64.84 -48.75 73.2 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.881 179.52 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.84 -47.32 83.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.831 178.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.58 HD21 ' CB ' ' B' ' 95' ' ' SER . 9.0 tp -54.97 -35.06 63.89 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.035 179.027 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.493 ' HB2' ' HB3' ' A' ' 26' ' ' SER . 6.4 ttp180 -60.55 -43.72 96.92 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.417 178.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.46 ' HA ' ' HG2' ' A' ' 38' ' ' GLU . 1.0 OUTLIER -61.02 -33.5 73.36 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.329 179.141 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.511 ' HB3' ' HB3' ' B' ' 91' ' ' GLN . 0.6 OUTLIER -66.8 -45.7 77.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.297 0.57 . . . . 0.0 110.424 179.51 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 1.005 HD11 HD12 ' A' ' 25' ' ' LEU . 58.4 mt -59.22 -49.57 82.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.753 179.647 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.528 ' HA ' HG12 ' A' ' 41' ' ' ILE . 7.2 pt-20 -59.89 -33.25 71.6 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.525 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.488 ' HB3' ' HB1' ' B' ' 88' ' ' ALA . 10.8 mtt180 -55.65 -53.11 60.55 Favored 'General case' 0 CA--C 1.516 -0.357 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 178.566 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.661 HG11 ' CZ ' ' B' ' 117' ' ' PHE . 61.7 t -60.02 -30.24 45.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.0 178.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.807 HD12 ' O ' ' A' ' 15' ' ' LEU . 9.4 mm -70.02 -58.12 6.32 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-N 116.094 -0.503 . . . . 0.0 112.314 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.2 p -61.35 -46.65 89.35 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-O 120.891 0.377 . . . . 0.0 110.919 -178.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.795 HG23 ' CE2' ' B' ' 129' ' ' TYR . 14.0 mt -59.73 -34.2 54.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.37 179.508 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.792 ' HB3' HD22 ' A' ' 15' ' ' LEU . 2.2 m-85 -72.35 -56.53 5.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.512 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.454 ' HG2' ' O ' ' A' ' 41' ' ' ILE . 6.5 pt20 -79.29 -0.51 32.69 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -177.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.495 ' CB ' ' CE1' ' B' ' 129' ' ' TYR . 0.2 OUTLIER -50.57 165.18 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.826 0.346 . . . . 0.0 111.077 -179.849 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -77.8 -41.69 36.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.199 -179.636 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.923 HD12 ' HA ' ' B' ' 129' ' ' TYR . 0.6 OUTLIER -70.08 -47.1 63.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.458 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.918 ' CE2' HD11 ' A' ' 53' ' ' ILE . 55.7 t80 -51.25 -56.12 14.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.911 -179.53 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -54.87 -48.49 72.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.013 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.67 -35.83 77.23 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.228 0.537 . . . . 0.0 110.506 179.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.88 HD11 ' HA ' ' B' ' 125' ' ' LEU . 0.0 OUTLIER -70.04 -39.44 75.72 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.91 179.48 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.918 HD11 ' CE2' ' A' ' 49' ' ' PHE . 59.2 mt -58.25 -35.86 55.27 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 178.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -66.17 -41.12 90.77 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.246 178.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.612 HD11 HG12 ' D' ' 132' ' ' ILE . 77.1 mt -53.49 -40.54 41.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.508 179.003 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -55.68 -20.07 12.91 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.584 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.411 ' O ' ' CG ' ' A' ' 58' ' ' PHE . 13.3 pt-20 -43.53 -34.64 1.42 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.739 0.304 . . . . 0.0 111.334 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.411 ' CG ' ' O ' ' A' ' 57' ' ' GLU . 68.1 m-85 -158.79 27.74 0.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.262 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.942 ' CD2' HD21 ' D' ' 128' ' ' LEU . 10.8 m-85 -132.88 77.12 1.72 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.877 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.406 ' HB2' ' HB ' ' C' ' 62' ' ' THR . 1.4 mt-10 -67.11 94.48 0.35 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.672 0.272 . . . . 0.0 110.63 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.711 HG12 HG13 ' C' ' 61' ' ' VAL . 0.2 OUTLIER -72.57 106.44 2.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.92 0.39 . . . . 0.0 111.267 -179.885 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.5 m -91.92 118.51 30.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.409 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.506 HD11 ' OH ' ' C' ' 59' ' ' TYR . 0.2 OUTLIER -90.53 127.38 36.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.826 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.742 ' N ' HD23 ' A' ' 64' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.991 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . 0.816 ' N ' HD23 ' B' ' 82' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.455 -0.191 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . 1.004 HD23 ' H ' ' B' ' 84' ' ' ALA . 0.3 OUTLIER -64.95 -48.6 73.51 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.353 179.891 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 1.004 ' H ' HD23 ' B' ' 83' ' ' LEU . . . -71.01 -24.68 62.42 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.921 -179.56 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 85' ' ' ALA . . . . . 0.927 ' HB1' ' HB2' ' B' ' 126' ' ' LEU . . . -53.03 -25.34 12.08 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.244 179.632 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -124.97 -43.64 1.96 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.435 178.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 87' ' ' ARG . . . . . 0.711 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 14.1 ttt180 -58.7 -51.02 71.72 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.003 178.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . 0.721 ' HB3' ' O ' ' B' ' 84' ' ' ALA . . . -61.81 -45.55 93.35 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.954 179.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 89' ' ' VAL . . . . . 0.567 HG13 ' CD2' ' B' ' 117' ' ' PHE . 32.3 t -58.43 -56.08 18.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.053 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.91 -21.08 66.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.17 179.685 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 91' ' ' GLN . . . . . 0.511 ' HB3' ' HB3' ' A' ' 36' ' ' SER . 0.3 OUTLIER -67.24 -58.02 5.62 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-O 121.262 0.553 . . . . 0.0 110.314 -179.933 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 92' ' ' VAL . . . . . 1.065 HG11 HD22 ' A' ' 18' ' ' LEU . 6.4 t -68.25 -27.44 37.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.176 179.45 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 93' ' ' LEU . . . . . 0.703 HD11 ' HB2' ' B' ' 117' ' ' PHE . 0.7 OUTLIER -70.9 -28.94 64.9 Favored 'General case' 0 CA--C 1.528 0.1 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.199 179.85 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -84.82 -44.57 13.15 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.879 0.371 . . . . 0.0 111.232 -179.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 95' ' ' SER . . . . . 0.58 ' CB ' HD21 ' A' ' 33' ' ' LEU . 0.6 OUTLIER -80.5 -13.95 58.66 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.064 -0.516 . . . . 0.0 112.157 -179.243 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . 0.978 HD22 HD22 ' B' ' 110' ' ' LEU . 0.2 OUTLIER -38.78 -52.5 1.71 Allowed 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -179.331 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -70.77 -28.01 64.36 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.061 -179.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . 0.816 ' O ' ' HB3' ' B' ' 101' ' ' ALA . 0.1 OUTLIER -69.67 -34.15 73.58 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 177.78 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 99' ' ' ILE . . . . . 0.607 HG23 HG21 ' B' ' 103' ' ' THR . 61.6 mt -62.75 -49.53 83.32 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.911 0 CA-C-N 114.586 -1.188 . . . . 0.0 109.808 178.471 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 100' ' ' HIS . . . . . 0.922 ' HB2' HD11 ' B' ' 110' ' ' LEU . 2.4 t-160 -56.72 -32.43 65.51 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 178.077 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 101' ' ' ALA . . . . . 0.816 ' HB3' ' O ' ' B' ' 98' ' ' GLU . . . -58.3 -45.66 87.57 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.523 -1.217 . . . . 0.0 112.024 179.559 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 102' ' ' LEU . . . . . 0.662 HD12 HG23 ' B' ' 103' ' ' THR . 0.4 OUTLIER -116.68 26.03 10.14 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.696 -0.684 . . . . 0.0 112.707 -177.419 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 103' ' ' THR . . . . . 0.662 HG23 HD12 ' B' ' 102' ' ' LEU . 31.1 p -140.45 -30.46 0.66 Allowed 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 121.07 -0.252 . . . . 0.0 111.521 179.705 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 67.1 26.97 8.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.934 0.397 . . . . 0.0 110.516 -179.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 105' ' ' SER . . . . . 0.418 ' HB3' ' CE1' ' A' ' 21' ' ' TYR . 18.8 m -52.98 -77.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.683 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 6.5 t 167.32 105.16 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.366 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -47.45 -34.99 7.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.92 0.391 . . . . 0.0 110.515 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.08 -42.48 84.6 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.676 178.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 109' ' ' ASP . . . . . 0.637 ' O ' HD12 ' B' ' 113' ' ' LEU . 8.4 m-20 -64.13 -36.79 85.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.85 178.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 110' ' ' LEU . . . . . 0.978 HD22 HD22 ' B' ' 96' ' ' LEU . 33.5 mt -63.77 -37.84 88.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.854 179.123 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -62.76 -43.93 97.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.538 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 112' ' ' PHE . . . . . 0.651 ' O ' HG23 ' B' ' 116' ' ' VAL . 2.0 t80 -58.81 -47.27 85.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.191 179.499 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 113' ' ' LEU . . . . . 0.706 HD11 ' CD1' ' A' ' 17' ' ' LEU . 0.6 OUTLIER -70.07 -32.92 71.24 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.132 -0.485 . . . . 0.0 109.83 179.306 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 114' ' ' HIS . . . . . 0.69 ' O ' ' HG2' ' B' ' 118' ' ' GLN . 1.5 m-70 -53.86 -41.54 67.61 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 178.488 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . 0.535 ' HA ' ' HG2' ' B' ' 118' ' ' GLN . 58.7 m -78.41 -33.9 48.37 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.34 179.117 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 116' ' ' VAL . . . . . 0.821 ' O ' HD22 ' B' ' 122' ' ' LEU . 52.0 t -56.11 -24.75 18.33 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.113 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 178.785 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 117' ' ' PHE . . . . . 0.703 ' HB2' HD11 ' B' ' 93' ' ' LEU . 0.6 OUTLIER -101.53 -26.75 13.44 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.49 179.926 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 118' ' ' GLN . . . . . 0.69 ' HG2' ' O ' ' B' ' 114' ' ' HIS . 35.0 mm-40 -56.89 -44.43 82.28 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.086 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -37.32 125.77 1.02 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.17 -179.139 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.73 -46.17 63.53 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.472 179.634 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 121' ' ' HIS . . . . . 0.402 ' O ' ' HB ' ' B' ' 124' ' ' THR . 0.5 OUTLIER -55.79 -33.72 64.64 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.368 179.319 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . 0.821 HD22 ' O ' ' B' ' 116' ' ' VAL . 37.2 tp -55.7 -49.28 73.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.133 179.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 123' ' ' HIS . . . . . 0.574 ' HA ' ' CD1' ' B' ' 126' ' ' LEU . 0.0 OUTLIER -52.32 -28.5 19.47 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.102 0.477 . . . . 0.0 110.096 178.787 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 124' ' ' THR . . . . . 0.584 HG21 HG23 ' A' ' 61' ' ' VAL . 10.6 m -75.52 -32.15 60.39 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.793 179.208 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . 0.88 ' HA ' HD11 ' A' ' 52' ' ' LEU . 29.4 mt -64.92 -50.44 66.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.829 179.565 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . 0.927 ' HB2' ' HB1' ' B' ' 85' ' ' ALA . 1.0 OUTLIER -63.78 -41.85 97.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.064 -179.729 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -60.86 -51.21 70.26 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.902 0.382 . . . . 0.0 110.903 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . 0.942 HD21 ' CD2' ' C' ' 59' ' ' TYR . 48.2 mt -72.38 -29.95 64.24 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.512 179.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 129' ' ' TYR . . . . . 0.923 ' HA ' HD12 ' A' ' 48' ' ' LEU . 0.7 OUTLIER -55.73 -53.06 61.29 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.221 -179.371 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 130' ' ' ASP . . . . . 0.425 ' HB3' ' CD2' ' B' ' 82' ' ' LEU . 3.7 m-20 -77.91 -31.5 51.19 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.324 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.45 -49.38 70.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.77 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 132' ' ' ILE . . . . . 0.635 ' HB ' HD21 ' A' ' 48' ' ' LEU . 4.9 mt -78.15 -41.15 26.56 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 CA-C-O 121.003 0.43 . . . . 0.0 110.651 179.529 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 133' ' ' ASN . . . . . . . . . . . . . 44.9 t-20 -58.13 -25.68 61.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.937 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 134' ' ' THR . . . . . 0.507 HG22 ' O ' ' B' ' 134' ' ' THR . 95.7 m -83.4 0.32 46.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.195 179.764 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 135' ' ' LYS . . . . . 0.422 ' CB ' ' O ' ' B' ' 134' ' ' THR . 6.9 mttp 81.59 -14.19 0.82 Allowed 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.847 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 C--N 1.331 -0.213 0 CA-C-O 120.799 0.333 . . . . 0.0 111.18 179.959 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.95 -37.76 88.72 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 179.131 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 51.0 mm-40 -73.82 -30.97 62.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.841 178.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 10' ' ' ASP . . . . . 0.541 ' HB3' HG22 ' D' ' 116' ' ' VAL . 3.6 m-20 -78.53 -29.58 46.57 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.756 179.006 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 11' ' ' THR . . . . . 0.572 HG23 ' CD2' ' C' ' 44' ' ' PHE . 97.7 m -72.06 -49.6 35.21 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.427 179.575 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 12' ' ' GLN . . . . . 0.46 ' HA ' HD23 ' C' ' 15' ' ' LEU . 0.6 OUTLIER -67.28 -34.71 77.98 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.942 0.401 . . . . 0.0 110.049 179.431 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 13' ' ' ARG . . . . . 0.419 ' HG2' ' CE2' ' D' ' 112' ' ' PHE . 12.1 ttp180 -74.3 -25.46 59.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.869 179.054 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 14' ' ' ALA . . . . . 0.853 ' CB ' HG11 ' D' ' 116' ' ' VAL . . . -78.46 -54.96 5.6 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.625 178.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 15' ' ' LEU . . . . . 0.842 ' HA ' HD12 ' C' ' 18' ' ' LEU . 0.4 OUTLIER -61.93 -24.44 66.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.662 179.145 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 16' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -73.5 -47.87 37.73 Favored 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 178.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . 0.964 HD22 ' CE1' ' C' ' 21' ' ' TYR . 3.5 mt -61.76 -34.94 76.73 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.471 178.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . 0.916 ' CD2' HG11 ' D' ' 92' ' ' VAL . 63.3 mt -62.78 -47.58 82.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.715 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 19' ' ' GLU . . . . . 0.429 ' HG3' HD12 ' C' ' 41' ' ' ILE . 49.0 mt-10 -59.12 -40.25 84.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -74.79 -36.35 62.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.192 179.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 21' ' ' TYR . . . . . 0.964 ' CE1' HD22 ' C' ' 17' ' ' LEU . 10.6 m-30 -64.89 -46.83 80.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.521 179.741 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 22' ' ' ARG . . . . . 0.477 ' HA ' HD13 ' C' ' 37' ' ' ILE . 45.5 ptt85 -61.74 -44.9 96.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.6 179.758 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 23' ' ' SER . . . . . 0.415 ' N ' ' HG3' ' C' ' 22' ' ' ARG . 2.8 p -57.43 -34.71 69.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.689 179.7 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 24' ' ' LYS . . . . . 0.419 ' HG3' ' HB ' ' D' ' 103' ' ' THR . 5.1 ptmt -99.34 -7.65 25.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.586 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 25' ' ' LEU . . . . . 0.743 ' CD1' HD11 ' C' ' 37' ' ' ILE . 0.6 OUTLIER -82.46 -68.65 0.68 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.86 0.362 . . . . 0.0 110.927 -179.929 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . 0.48 ' HB2' ' HB2' ' C' ' 34' ' ' ARG . 32.6 t -61.99 -150.99 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.719 -179.542 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 27' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 57.15 24.33 9.61 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 121.023 0.439 . . . . 0.0 110.106 -179.385 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 28' ' ' THR . . . . . 0.603 HG23 ' N ' ' C' ' 29' ' ' GLU . 7.7 t -150.35 -54.54 0.16 Allowed 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.706 -179.098 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 29' ' ' GLU . . . . . 0.603 ' N ' HG23 ' C' ' 28' ' ' THR . 12.5 pt-20 -175.81 28.11 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.573 -179.413 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 30' ' ' ASP . . . . . 0.51 ' CB ' HD22 ' C' ' 25' ' ' LEU . 1.7 m-20 -142.13 56.2 1.46 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.979 0.419 . . . . 0.0 111.035 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 -66.99 -53.05 35.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.11 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.17 -50.78 72.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.964 179.003 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 33' ' ' LEU . . . . . 0.593 HD11 ' CB ' ' D' ' 95' ' ' SER . 15.7 tp -53.42 -33.11 52.69 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.086 179.083 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 34' ' ' ARG . . . . . 0.693 ' HA ' HD12 ' C' ' 37' ' ' ILE . 6.4 ttp180 -60.4 -47.98 83.76 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.355 178.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 21.2 m -56.42 -34.8 67.12 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.458 179.05 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 36' ' ' SER . . . . . 0.494 ' O ' ' HG2' ' C' ' 39' ' ' ARG . 0.7 OUTLIER -64.66 -48.74 73.67 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 121.077 0.465 . . . . 0.0 110.481 179.583 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 37' ' ' ILE . . . . . 0.743 HD11 ' CD1' ' C' ' 25' ' ' LEU . 5.7 mt -60.97 -39.91 83.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.332 0.587 . . . . 0.0 109.584 178.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 38' ' ' GLU . . . . . 0.409 ' HA ' HG12 ' C' ' 41' ' ' ILE . 39.9 mt-10 -61.0 -51.23 70.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.897 -1.047 . . . . 0.0 111.833 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 39' ' ' ARG . . . . . 0.712 ' HG3' ' HB1' ' D' ' 88' ' ' ALA . 4.3 ptp85 -55.28 -41.46 72.31 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.581 -0.448 . . . . 0.0 110.118 -179.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . 0.431 ' O ' ' HB2' ' C' ' 44' ' ' PHE . 93.5 t -60.98 -36.99 76.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 178.344 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 41' ' ' ILE . . . . . 0.588 HD11 ' CB ' ' C' ' 18' ' ' LEU . 10.5 mm -58.53 -58.86 4.81 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.103 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.247 179.524 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 18.8 p -58.94 -46.58 87.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.899 0.38 . . . . 0.0 110.649 -179.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 43' ' ' ILE . . . . . 0.737 HG23 ' CE2' ' D' ' 129' ' ' TYR . 11.1 mt -59.79 -34.96 57.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.158 179.308 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 44' ' ' PHE . . . . . 0.659 ' HB3' HD22 ' C' ' 15' ' ' LEU . 1.5 m-85 -72.42 -55.56 6.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.091 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 45' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -77.23 -1.79 31.36 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 -178.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 46' ' ' SER . . . . . . . . . . . . . 1.4 t -54.73 131.66 44.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.811 0.338 . . . . 0.0 111.037 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -53.44 -32.74 51.2 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . 0.709 ' O ' ' HB3' ' C' ' 51' ' ' ALA . 0.2 OUTLIER -74.64 -48.52 25.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.773 179.435 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 49' ' ' PHE . . . . . 0.658 ' HZ ' HD11 ' D' ' 122' ' ' LEU . 47.1 t80 -50.46 -53.12 32.18 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.583 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 22.6 mm-40 -58.08 -24.74 59.74 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.054 0.454 . . . . 0.0 110.046 178.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 51' ' ' ALA . . . . . 0.709 ' HB3' ' O ' ' C' ' 48' ' ' LEU . . . -63.0 -53.56 52.01 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.929 179.761 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 52' ' ' LEU . . . . . 0.737 ' N ' HD13 ' C' ' 52' ' ' LEU . 0.0 OUTLIER -61.29 -44.03 97.9 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 120.236 -0.585 . . . . 0.0 110.365 179.824 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 53' ' ' ILE . . . . . 0.595 HG12 HD13 ' D' ' 125' ' ' LEU . 39.2 mt -51.49 -39.1 21.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-O 121.059 0.457 . . . . 0.0 110.306 179.481 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 54' ' ' ASP . . . . . 0.402 ' O ' ' CG ' ' C' ' 57' ' ' GLU . 3.3 t0 -73.46 -35.72 65.76 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.101 179.148 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 55' ' ' ILE . . . . . 0.637 HG22 ' HB2' ' C' ' 59' ' ' TYR . 41.5 mt -68.16 -32.33 55.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.862 179.618 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.38 -20.12 4.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.926 -179.772 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 57' ' ' GLU . . . . . 0.403 ' O ' ' CD1' ' C' ' 58' ' ' PHE . 0.2 OUTLIER -44.02 -46.64 8.48 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 111.712 0.264 . . . . 0.0 111.712 -179.618 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 58' ' ' PHE . . . . . 0.415 ' HB3' ' HG ' ' A' ' 64' ' ' LEU . 74.2 m-85 -152.55 40.02 0.58 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.683 0.277 . . . . 0.0 111.489 -179.609 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 59' ' ' TYR . . . . . 0.942 ' CD2' HD21 ' B' ' 128' ' ' LEU . 51.7 m-85 -134.13 80.53 1.87 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.735 179.64 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -71.96 104.14 3.43 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.629 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 61' ' ' VAL . . . . . 0.711 HG13 HG12 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -85.37 96.48 4.98 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 CA-C-O 120.909 0.385 . . . . 0.0 110.724 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 62' ' ' THR . . . . . 0.406 ' HB ' ' HB2' ' A' ' 60' ' ' GLU . 15.7 m -71.72 113.16 8.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.084 179.503 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 63' ' ' LEU . . . . . 0.868 HD11 ' CE2' ' A' ' 59' ' ' TYR . 3.5 mp -86.25 126.1 34.04 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 -179.66 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 64' ' ' LEU . . . . . 0.786 HD23 ' N ' ' C' ' 64' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.327 -0.411 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.476 179.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 82' ' ' LEU . . . . . 0.913 ' N ' HD23 ' D' ' 82' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.456 -0.15 0 CA-C-O 120.847 0.356 . . . . 0.0 110.803 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 83' ' ' LEU . . . . . 0.986 HD23 ' H ' ' D' ' 84' ' ' ALA . 0.2 OUTLIER -67.37 -47.72 69.56 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.4 -179.662 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 84' ' ' ALA . . . . . 1.043 ' HB1' ' HB2' ' D' ' 88' ' ' ALA . . . -84.87 -17.37 38.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.54 -0.754 . . . . 0.0 111.51 -179.33 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 85' ' ' ALA . . . . . 0.839 ' O ' HD13 ' D' ' 126' ' ' LEU . . . -51.81 -24.52 6.17 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.345 -0.542 . . . . 0.0 109.749 179.283 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 86' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -126.88 -36.69 2.18 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.004 178.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 87' ' ' ARG . . . . . 0.751 ' HB3' ' O ' ' D' ' 83' ' ' LEU . 19.4 ttt85 -67.5 -41.53 84.34 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.577 179.479 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 88' ' ' ALA . . . . . 1.043 ' HB2' ' HB1' ' D' ' 84' ' ' ALA . . . -66.22 -43.02 87.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.445 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 89' ' ' VAL . . . . . 0.814 HG13 ' CD1' ' D' ' 117' ' ' PHE . 64.7 t -70.41 -46.46 70.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.099 179.018 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 90' ' ' SER . . . . . 0.422 ' HA ' ' HB2' ' D' ' 93' ' ' LEU . 37.9 t -65.41 -25.09 67.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.537 179.193 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 91' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -67.5 -56.91 7.66 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.64 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 92' ' ' VAL . . . . . 0.916 HG11 ' CD2' ' C' ' 18' ' ' LEU . 6.4 t -67.37 -28.1 41.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.016 179.089 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 93' ' ' LEU . . . . . 0.784 HD21 ' HA ' ' D' ' 114' ' ' HIS . 1.6 mt -64.29 -36.22 83.41 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.017 179.385 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -84.61 -35.11 22.93 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.865 0.364 . . . . 0.0 110.995 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 95' ' ' SER . . . . . 0.593 ' CB ' HD11 ' C' ' 33' ' ' LEU . 0.1 OUTLIER -80.24 -26.43 39.06 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.104 -0.498 . . . . 0.0 112.13 -179.335 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 96' ' ' LEU . . . . . 0.975 HD22 HD22 ' D' ' 110' ' ' LEU . 0.2 OUTLIER -34.71 -52.3 0.52 Allowed 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 112.581 0.585 . . . . 0.0 112.581 -178.806 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -69.86 -30.39 67.84 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.911 0.386 . . . . 0.0 111.007 -179.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 98' ' ' GLU . . . . . 0.813 ' OE2' HD21 ' D' ' 102' ' ' LEU . 0.0 OUTLIER -68.99 -33.96 74.52 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 177.546 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 99' ' ' ILE . . . . . 0.574 ' O ' HG23 ' D' ' 103' ' ' THR . 4.8 mt -61.57 -49.54 83.98 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.761 0 CA-C-N 114.47 -1.241 . . . . 0.0 110.079 178.554 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 100' ' ' HIS . . . . . 0.861 ' HB2' HD11 ' D' ' 110' ' ' LEU . 2.0 t-160 -57.68 -33.39 68.3 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 178.472 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 101' ' ' ALA . . . . . 0.788 ' HB3' ' O ' ' D' ' 98' ' ' GLU . . . -57.07 -45.26 83.43 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 114.529 -1.214 . . . . 0.0 111.962 179.47 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 102' ' ' LEU . . . . . 0.813 HD21 ' OE2' ' D' ' 98' ' ' GLU . 0.4 OUTLIER -117.74 30.96 6.97 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.617 -0.72 . . . . 0.0 112.671 -177.423 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 103' ' ' THR . . . . . 0.692 HG23 HD12 ' D' ' 102' ' ' LEU . 31.2 p -145.83 -34.02 0.32 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.638 0.256 . . . . 0.0 111.393 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 70.9 27.2 3.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.783 0.325 . . . . 0.0 110.402 -179.537 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 105' ' ' SER . . . . . . . . . . . . . 11.3 m -53.8 -76.88 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.733 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 106' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 166.84 103.91 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.424 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -47.34 -30.87 3.46 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.862 0.363 . . . . 0.0 110.535 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 11.4 mmtm -69.0 -44.7 72.27 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 178.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 109' ' ' ASP . . . . . 0.603 ' O ' HD12 ' D' ' 113' ' ' LEU . 1.2 m-20 -64.52 -36.06 82.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.678 178.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 110' ' ' LEU . . . . . 0.975 HD22 HD22 ' D' ' 96' ' ' LEU . 27.1 mt -62.08 -39.9 93.98 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.003 179.146 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 111' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.16 -41.43 97.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.472 179.672 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 112' ' ' PHE . . . . . 0.437 ' O ' HG23 ' D' ' 116' ' ' VAL . 2.0 t80 -58.56 -42.53 88.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.211 179.508 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 113' ' ' LEU . . . . . 0.703 HD11 ' CD1' ' C' ' 17' ' ' LEU . 0.5 OUTLIER -72.82 -32.87 65.82 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.57 179.821 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 114' ' ' HIS . . . . . 0.93 ' CD2' HD12 ' D' ' 96' ' ' LEU . 41.2 m170 -58.12 -34.98 70.82 Favored 'General case' 0 CA--C 1.516 -0.331 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 178.169 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 115' ' ' SER . . . . . 0.403 ' HA ' ' HB2' ' D' ' 118' ' ' GLN . 65.9 m -74.28 -38.56 63.36 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.215 178.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 116' ' ' VAL . . . . . 0.853 HG11 ' CB ' ' C' ' 14' ' ' ALA . 54.2 t -60.6 -23.7 29.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.965 178.473 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 117' ' ' PHE . . . . . 0.814 ' CD1' HG13 ' D' ' 89' ' ' VAL . 28.8 m-85 -103.37 -30.43 10.6 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.197 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 118' ' ' GLN . . . . . 0.508 ' NE2' HD11 ' D' ' 93' ' ' LEU . 0.0 OUTLIER -63.57 -32.08 73.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.447 -179.12 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 119' ' ' ASP . . . . . 0.4 ' HB3' ' HB2' ' D' ' 122' ' ' LEU . 1.1 t70 -43.89 122.69 2.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.578 -179.494 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 120' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.23 -47.57 79.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.92 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 121' ' ' HIS . . . . . 0.416 ' O ' ' HB ' ' D' ' 124' ' ' THR . 10.4 m170 -55.2 -33.2 62.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.669 179.771 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 122' ' ' LEU . . . . . 0.839 HD22 ' O ' ' D' ' 116' ' ' VAL . 51.1 tp -55.68 -44.7 77.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.92 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 123' ' ' HIS . . . . . 1.045 ' HA ' HD12 ' D' ' 126' ' ' LEU . 0.0 OUTLIER -59.79 -23.31 63.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.951 0.405 . . . . 0.0 110.025 179.362 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 124' ' ' THR . . . . . 0.667 HG21 ' CG2' ' C' ' 61' ' ' VAL . 19.4 m -77.8 -34.73 52.04 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.822 -0.627 . . . . 0.0 109.694 178.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 125' ' ' LEU . . . . . 0.818 HD12 HD12 ' D' ' 122' ' ' LEU . 9.5 mt -69.58 -40.68 76.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.194 178.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 126' ' ' LEU . . . . . 1.045 HD12 ' HA ' ' D' ' 123' ' ' HIS . 1.2 mt -65.48 -45.9 81.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.09 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 127' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -65.68 -41.77 92.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.889 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 128' ' ' LEU . . . . . 0.942 HD21 ' CD2' ' A' ' 59' ' ' TYR . 20.2 mt -75.31 -30.72 60.43 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 129' ' ' TYR . . . . . 0.737 ' CE2' HG23 ' C' ' 43' ' ' ILE . 0.1 OUTLIER -62.62 -53.56 52.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.358 -179.049 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 130' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -77.53 -31.46 53.4 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.826 -179.176 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.31 -41.3 93.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.656 0.265 . . . . 0.0 110.849 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 132' ' ' ILE . . . . . 0.612 HG12 HD11 ' A' ' 55' ' ' ILE . 8.0 mt -81.54 -43.31 20.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.04 0.448 . . . . 0.0 110.393 179.437 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 133' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.708 179.549 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.62 -38.88 90.69 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 121.183 0.516 . . . . 0.0 109.692 179.117 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 65.5 mm-40 -77.82 -26.85 49.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.437 -0.802 . . . . 0.0 109.964 178.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.58 ' HB3' HG22 ' B' ' 116' ' ' VAL . 9.4 m-20 -80.49 -31.23 37.31 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.367 179.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.548 HG22 ' HE1' ' A' ' 44' ' ' PHE . 3.3 p -75.04 -41.23 59.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.317 179.604 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.49 ' HA ' HD23 ' A' ' 15' ' ' LEU . 0.7 OUTLIER -70.97 -38.79 72.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.411 179.512 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.2 ttt85 -74.64 -24.67 58.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.971 179.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.923 ' CB ' HG11 ' B' ' 116' ' ' VAL . . . -78.68 -51.32 10.02 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.723 179.1 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.817 ' O ' HD12 ' A' ' 41' ' ' ILE . 0.4 OUTLIER -64.57 -28.58 69.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.868 179.604 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -73.63 -46.53 46.25 Favored 'General case' 0 CA--C 1.519 -0.233 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 179.018 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.738 ' CD1' HD11 ' B' ' 113' ' ' LEU . 1.1 mt -59.86 -43.06 94.87 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.857 179.082 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.704 HD22 HG11 ' B' ' 92' ' ' VAL . 20.3 mt -60.34 -42.0 94.76 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.649 179.708 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.534 ' HG3' HG21 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -58.74 -42.36 88.64 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.074 0.464 . . . . 0.0 110.497 179.739 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.28 -33.24 69.56 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.657 179.294 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.694 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 15.0 m-30 -66.43 -47.97 71.53 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.714 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.585 ' HA ' HD13 ' A' ' 37' ' ' ILE . 3.3 ptm180 -58.74 -44.4 90.48 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 120.824 0.345 . . . . 0.0 110.706 179.734 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.44 -37.35 75.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.538 179.512 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.5 ptmt -100.29 5.54 44.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.374 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.816 ' CD1' HD11 ' A' ' 37' ' ' ILE . 0.4 OUTLIER -94.29 -68.01 0.82 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.841 0.353 . . . . 0.0 111.343 -179.484 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.481 ' HB2' ' HB2' ' A' ' 34' ' ' ARG . 37.4 t -63.55 -149.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.736 -179.276 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 55.24 24.96 6.84 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 121.142 0.496 . . . . 0.0 110.065 -179.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.612 HG23 ' N ' ' A' ' 29' ' ' GLU . 6.6 t -149.13 -56.69 0.2 Allowed 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.729 -179.375 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.612 ' N ' HG23 ' A' ' 28' ' ' THR . 17.2 pt-20 -178.11 28.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.586 -179.331 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.462 ' CG ' HD23 ' A' ' 33' ' ' LEU . 0.7 OUTLIER -141.8 46.81 1.66 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.03 0.443 . . . . 0.0 111.175 -179.603 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.71 -55.34 35.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.421 0.629 . . . . 0.0 110.209 179.674 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.94 -47.63 74.22 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.488 178.656 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.578 HD11 ' CB ' ' B' ' 95' ' ' SER . 15.9 tp -54.72 -32.31 59.45 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.676 178.414 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.764 ' HA ' HD12 ' A' ' 37' ' ' ILE . 1.8 ttp180 -60.97 -44.43 97.36 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 178.383 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.4 -37.61 72.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.102 -0.953 . . . . 0.0 110.369 178.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.487 ' HB2' HE21 ' B' ' 91' ' ' GLN . 25.1 p -60.19 -51.59 68.91 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.11 0.481 . . . . 0.0 110.308 179.536 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.816 HD11 ' CD1' ' A' ' 25' ' ' LEU . 5.4 mt -56.19 -43.66 76.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.209 179.293 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -54.68 -44.39 73.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.839 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.456 ' HB3' ' HB1' ' B' ' 88' ' ' ALA . 18.1 mtt180 -56.53 -49.77 73.8 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.232 0.539 . . . . 0.0 110.009 179.415 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.707 HG12 ' CD2' ' A' ' 44' ' ' PHE . 24.9 t -60.55 -34.71 59.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.66 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.817 HD12 ' O ' ' A' ' 15' ' ' LEU . 7.8 mm -69.69 -53.65 23.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.478 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.4 t -62.3 -48.95 77.61 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-O 120.899 0.38 . . . . 0.0 110.851 -179.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.744 HG23 ' CE2' ' B' ' 129' ' ' TYR . 8.8 mt -59.79 -32.76 50.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.333 179.593 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.724 ' HB3' HD22 ' A' ' 15' ' ' LEU . 0.4 OUTLIER -72.24 -55.52 7.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.069 -0.514 . . . . 0.0 112.072 179.862 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.445 ' HG2' ' O ' ' A' ' 41' ' ' ILE . 4.2 pt20 -79.35 -0.03 30.96 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.284 0.476 . . . . 0.0 112.284 -178.445 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.408 ' OG ' ' CE1' ' B' ' 129' ' ' TYR . 1.2 t -53.56 128.92 30.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.757 0.313 . . . . 0.0 110.966 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -49.85 -31.29 11.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.617 HD13 ' O ' ' A' ' 48' ' ' LEU . 0.3 OUTLIER -76.9 -48.42 18.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.073 179.674 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.924 ' CE2' HD11 ' A' ' 53' ' ' ILE . 55.3 t80 -51.02 -48.89 61.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.346 -179.612 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -56.63 -44.26 81.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.827 0.346 . . . . 0.0 110.921 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.74 -44.45 90.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.605 179.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.535 HD12 ' CD1' ' A' ' 48' ' ' LEU . 0.5 OUTLIER -61.49 -45.35 94.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.289 179.473 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.924 HD11 ' CE2' ' A' ' 49' ' ' PHE . 47.8 mt -54.5 -37.22 37.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.405 179.326 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.407 ' O ' ' CG ' ' A' ' 57' ' ' GLU . 14.2 t0 -63.65 -50.12 70.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.435 179.591 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.724 HG22 ' HB2' ' A' ' 59' ' ' TYR . 67.0 mt -53.0 -34.24 20.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.091 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.731 ' NE2' HD21 ' B' ' 125' ' ' LEU . 0.0 OUTLIER -53.22 -20.62 4.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.762 -179.763 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.417 ' O ' ' CD1' ' A' ' 58' ' ' PHE . 0.2 OUTLIER -45.13 -47.28 12.19 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 111.743 0.275 . . . . 0.0 111.743 -179.59 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.439 ' HB3' ' HG ' ' C' ' 64' ' ' LEU . 73.7 m-85 -152.85 39.54 0.54 Allowed 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 121.038 -0.265 . . . . 0.0 111.713 -179.299 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.809 ' CD2' HD21 ' D' ' 128' ' ' LEU . 22.2 m-85 -134.08 71.33 1.45 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.841 0.353 . . . . 0.0 110.891 179.66 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -60.63 105.24 0.42 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.791 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.601 ' CG2' HG21 ' B' ' 124' ' ' THR . 0.0 OUTLIER -85.43 96.98 5.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.992 179.836 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.412 ' HB ' ' HB2' ' C' ' 60' ' ' GLU . 76.2 m -71.44 122.78 21.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.569 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.892 HD11 ' CE2' ' C' ' 59' ' ' TYR . 1.2 mp -95.23 119.78 34.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.839 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.729 ' N ' HD23 ' A' ' 64' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.639 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . 0.912 ' N ' HD23 ' B' ' 82' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.813 0.339 . . . . 0.0 110.657 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . 0.907 HD23 ' H ' ' B' ' 84' ' ' ALA . 0.3 OUTLIER -67.63 -41.36 84.05 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.94 -179.342 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 0.907 ' H ' HD23 ' B' ' 83' ' ' LEU . . . -93.4 -19.76 20.99 Favored 'General case' 0 C--N 1.328 -0.35 0 O-C-N 123.793 0.683 . . . . 0.0 112.312 -178.44 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 85' ' ' ALA . . . . . 0.862 ' HB1' ' HB2' ' B' ' 126' ' ' LEU . . . -51.81 -26.24 9.4 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.472 -179.391 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . 0.431 ' HG3' ' CE1' ' B' ' 123' ' ' HIS . 4.4 tt0 -120.89 -41.71 2.54 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.432 178.449 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 87' ' ' ARG . . . . . 0.809 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 38.8 ttt180 -60.09 -56.64 19.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.061 -0.972 . . . . 0.0 110.188 178.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . 0.877 ' HB2' ' HB1' ' B' ' 84' ' ' ALA . . . -57.35 -38.24 73.85 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.633 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 89' ' ' VAL . . . . . 0.462 ' CG1' ' HB3' ' B' ' 117' ' ' PHE . 25.0 t -68.12 -42.47 85.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.331 179.094 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 90' ' ' SER . . . . . 0.449 ' HA ' ' HB2' ' B' ' 93' ' ' LEU . 35.5 t -75.04 -23.7 58.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.837 179.713 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 91' ' ' GLN . . . . . 0.487 HE21 ' HB2' ' A' ' 36' ' ' SER . 17.4 mt-30 -66.52 -57.68 6.8 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 121.282 0.563 . . . . 0.0 109.844 179.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 92' ' ' VAL . . . . . 0.704 HG11 HD22 ' A' ' 18' ' ' LEU . 10.2 t -67.84 -28.11 40.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.034 179.286 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 93' ' ' LEU . . . . . 0.665 HD21 ' HA ' ' B' ' 114' ' ' HIS . 5.8 mt -68.36 -29.68 68.46 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.99 179.648 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -85.12 -40.61 16.56 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.945 0.402 . . . . 0.0 111.102 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 95' ' ' SER . . . . . 0.578 ' CB ' HD11 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -80.0 -15.18 57.76 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.995 -179.441 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . 0.812 HD13 ' HB3' ' B' ' 110' ' ' LEU . 0.1 OUTLIER -38.87 -52.51 1.75 Allowed 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -179.316 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -70.09 -30.0 67.12 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.967 -179.232 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . 0.805 ' O ' ' HB3' ' B' ' 101' ' ' ALA . 0.0 OUTLIER -69.56 -32.86 71.9 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 177.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 99' ' ' ILE . . . . . 0.518 HG12 ' CD1' ' A' ' 25' ' ' LEU . 48.3 mt -63.4 -49.51 82.51 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.859 0 CA-C-N 114.64 -1.164 . . . . 0.0 109.883 178.691 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 100' ' ' HIS . . . . . 0.93 ' HB2' HD11 ' B' ' 110' ' ' LEU . 1.3 t-160 -56.61 -33.75 66.55 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 178.046 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 101' ' ' ALA . . . . . 0.805 ' HB3' ' O ' ' B' ' 98' ' ' GLU . . . -55.71 -45.97 77.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.488 -1.233 . . . . 0.0 111.411 179.201 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 102' ' ' LEU . . . . . 0.637 HD12 HG23 ' B' ' 103' ' ' THR . 0.4 OUTLIER -118.01 35.97 4.52 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.543 -0.753 . . . . 0.0 112.598 -177.739 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 103' ' ' THR . . . . . 0.637 HG23 HD12 ' B' ' 102' ' ' LEU . 38.0 p -152.69 -32.94 0.13 Allowed 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.87 -0.332 . . . . 0.0 111.62 179.636 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 7.9 t70 73.87 25.38 1.94 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.051 0.453 . . . . 0.0 110.652 -179.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 105' ' ' SER . . . . . 0.443 ' HB3' ' CZ ' ' A' ' 21' ' ' TYR . 29.5 m -60.37 -17.2 41.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.165 179.727 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 106' ' ' SER . . . . . 0.413 ' CB ' ' O ' ' B' ' 105' ' ' SER . 4.2 t 80.6 122.85 0.05 OUTLIER 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 120.912 0.387 . . . . 0.0 110.777 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . 0.615 ' HA ' HD12 ' B' ' 110' ' ' LEU . 0.9 OUTLIER -52.75 -26.3 13.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.035 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.18 -54.6 44.96 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.175 0.512 . . . . 0.0 110.081 179.496 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 109' ' ' ASP . . . . . 0.652 ' O ' HD12 ' B' ' 113' ' ' LEU . 11.1 m-20 -62.43 -41.75 98.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.868 179.051 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 110' ' ' LEU . . . . . 0.93 HD11 ' HB2' ' B' ' 100' ' ' HIS . 70.0 mt -59.97 -36.72 77.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.039 179.063 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 111' ' ' ASP . . . . . 0.401 ' HA ' ' ND1' ' B' ' 114' ' ' HIS . 6.7 m-20 -61.88 -48.87 78.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.874 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 112' ' ' PHE . . . . . 0.801 ' O ' HG23 ' B' ' 116' ' ' VAL . 1.6 t80 -58.89 -36.97 75.56 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.78 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 113' ' ' LEU . . . . . 0.738 HD11 ' CD1' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -76.62 -32.77 58.26 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.253 -179.713 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 114' ' ' HIS . . . . . 0.665 ' HA ' HD21 ' B' ' 93' ' ' LEU . 0.0 OUTLIER -61.73 -35.04 76.91 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 178.378 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . 0.466 ' N ' ' CD2' ' B' ' 114' ' ' HIS . 1.0 OUTLIER -74.02 -36.77 64.48 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 178.096 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 116' ' ' VAL . . . . . 0.923 HG11 ' CB ' ' A' ' 14' ' ' ALA . 69.3 t -63.44 -23.19 32.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.708 178.346 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 117' ' ' PHE . . . . . 0.677 ' CZ ' HD11 ' A' ' 18' ' ' LEU . 4.0 m-30 -107.39 -14.89 14.76 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.605 -179.626 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 118' ' ' GLN . . . . . 0.403 ' HB2' ' O ' ' B' ' 114' ' ' HIS . 0.0 OUTLIER -81.61 -31.88 32.26 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.676 0.274 . . . . 0.0 111.596 -179.453 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -41.56 133.76 2.54 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.959 -179.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -72.04 -47.06 54.46 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.649 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 121' ' ' HIS . . . . . 0.439 ' CE1' ' HG2' ' A' ' 56' ' ' GLN . 1.8 t-80 -55.78 -33.68 64.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.223 179.383 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . 0.806 HD22 ' O ' ' B' ' 116' ' ' VAL . 50.1 tp -55.59 -47.81 75.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.898 179.508 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 123' ' ' HIS . . . . . 0.812 ' HA ' HD12 ' B' ' 126' ' ' LEU . 50.5 m-70 -52.74 -27.9 19.8 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.041 178.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 124' ' ' THR . . . . . 0.617 HG22 HD11 ' B' ' 128' ' ' LEU . 5.0 m -76.52 -32.85 58.51 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.95 179.366 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . 0.784 HD12 HD12 ' B' ' 122' ' ' LEU . 20.1 mt -66.64 -41.59 88.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.179 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . 0.862 ' HB2' ' HB1' ' B' ' 85' ' ' ALA . 0.3 OUTLIER -72.98 -41.72 64.05 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.755 0.312 . . . . 0.0 111.021 -179.851 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.11 -46.3 90.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.222 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . 0.977 HD21 ' CD2' ' C' ' 59' ' ' TYR . 9.1 mt -77.08 -32.34 56.67 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.694 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 129' ' ' TYR . . . . . 0.744 ' CE2' HG23 ' A' ' 43' ' ' ILE . 0.1 OUTLIER -56.49 -53.13 61.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.932 -179.501 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 130' ' ' ASP . . . . . 0.546 ' HB2' HD22 ' B' ' 82' ' ' LEU . 17.6 m-20 -77.21 -34.96 56.04 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.301 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -56.71 -45.76 81.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.914 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 132' ' ' ILE . . . . . 0.502 HD12 ' O ' ' B' ' 128' ' ' LEU . 5.4 mt -76.89 -39.12 29.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.876 0.37 . . . . 0.0 110.713 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 133' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -60.38 -28.44 68.21 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.911 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 89.5 m -87.27 -49.31 7.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.174 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.65 -35.16 75.52 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.985 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 84.2 p . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.801 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 7' ' ' ARG . . . . . 0.651 ' NH2' HD13 ' D' ' 122' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.23 -40.18 93.07 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 121.205 0.526 . . . . 0.0 109.794 179.039 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 53.8 mm-40 -73.93 -32.29 63.45 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.987 179.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 10' ' ' ASP . . . . . 0.747 ' HB3' HG22 ' D' ' 116' ' ' VAL . 95.6 m-20 -75.61 -29.49 59.24 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.114 179.288 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 11' ' ' THR . . . . . 0.565 HG23 ' CD2' ' C' ' 44' ' ' PHE . 63.0 m -69.82 -49.58 51.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.71 179.724 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 12' ' ' GLN . . . . . 0.404 ' O ' ' CG ' ' C' ' 16' ' ' HIS . 0.8 OUTLIER -66.71 -37.08 83.97 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.909 -0.317 . . . . 0.0 110.365 179.877 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 9.1 ttt85 -73.86 -24.68 59.78 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.118 179.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 14' ' ' ALA . . . . . 0.868 ' CB ' HG11 ' D' ' 116' ' ' VAL . . . -78.7 -55.12 5.42 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 116.086 -0.507 . . . . 0.0 109.749 178.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 15' ' ' LEU . . . . . 0.729 ' O ' HD12 ' C' ' 41' ' ' ILE . 0.4 OUTLIER -63.6 -24.74 67.92 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.955 179.256 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 16' ' ' HIS . . . . . 0.404 ' CG ' ' O ' ' C' ' 12' ' ' GLN . 9.3 m170 -73.23 -48.79 32.05 Favored 'General case' 0 CA--C 1.518 -0.251 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 178.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . 0.858 HD22 ' CZ ' ' C' ' 21' ' ' TYR . 2.1 mt -60.2 -37.96 81.85 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.419 -0.809 . . . . 0.0 109.383 178.657 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . 0.763 ' HB3' HD11 ' C' ' 41' ' ' ILE . 11.8 mt -65.86 -41.0 92.22 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.315 179.389 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -57.89 -39.49 77.98 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.75 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -73.7 -37.03 65.31 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.147 179.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 21' ' ' TYR . . . . . 0.858 ' CZ ' HD22 ' C' ' 17' ' ' LEU . 22.9 m-85 -65.14 -46.62 80.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.835 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 22' ' ' ARG . . . . . 0.481 ' HB2' ' HG3' ' C' ' 34' ' ' ARG . 1.0 OUTLIER -59.38 -49.36 78.1 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.782 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 23' ' ' SER . . . . . 0.441 ' N ' ' HG3' ' C' ' 22' ' ' ARG . 0.3 OUTLIER -58.19 -32.85 68.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.26 179.893 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 24' ' ' LYS . . . . . . . . . . . . . 7.0 ptmt -101.65 5.13 41.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.426 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 25' ' ' LEU . . . . . 0.954 HD11 HG12 ' D' ' 99' ' ' ILE . 3.8 mt -92.77 -62.91 1.29 Allowed 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -179.291 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . 0.668 ' HB2' ' HD2' ' C' ' 31' ' ' ARG . 52.6 p -57.76 -18.38 21.2 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.142 -0.481 . . . . 0.0 112.044 -178.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 27' ' ' GLN . . . . . 0.441 ' OE1' ' OG ' ' C' ' 26' ' ' SER . 1.1 mm100 -78.76 50.08 0.96 Allowed 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.536 -179.119 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 28' ' ' THR . . . . . 0.484 ' CG2' ' N ' ' C' ' 29' ' ' GLU . 0.7 OUTLIER -177.28 -54.47 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.627 0.251 . . . . 0.0 111.326 179.249 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 29' ' ' GLU . . . . . 0.484 ' N ' ' CG2' ' C' ' 28' ' ' THR . 6.3 pt-20 179.15 27.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.329 -179.743 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 30' ' ' ASP . . . . . 0.449 ' CG ' HD22 ' C' ' 25' ' ' LEU . 1.8 m-20 -126.11 36.19 4.55 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.79 -179.736 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . 0.668 ' HD2' ' HB2' ' C' ' 26' ' ' SER . 25.3 mmm180 -55.08 -51.55 66.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.265 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 21.8 tp60 -61.67 -47.3 85.97 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.864 178.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 33' ' ' LEU . . . . . 0.521 HD11 ' CB ' ' D' ' 95' ' ' SER . 12.2 tp -56.05 -37.05 68.73 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.464 179.208 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 34' ' ' ARG . . . . . 0.621 ' HB2' ' HB3' ' C' ' 26' ' ' SER . 16.5 ttt180 -60.91 -40.23 92.35 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 178.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 5.2 m -58.25 -40.15 81.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.228 178.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 36' ' ' SER . . . . . 0.771 ' OG ' HG22 ' D' ' 92' ' ' VAL . 36.8 p -66.24 -48.76 69.48 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.221 0.534 . . . . 0.0 110.283 179.367 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 37' ' ' ILE . . . . . 0.782 ' CD1' HD12 ' C' ' 25' ' ' LEU . 7.2 mt -58.82 -36.97 63.76 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.88 179.235 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -59.77 -52.68 64.43 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.062 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 39' ' ' ARG . . . . . 0.664 ' HG3' ' HB1' ' D' ' 88' ' ' ALA . 3.6 ptp85 -56.4 -31.9 64.32 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 179.399 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . 0.747 HG23 ' O ' ' C' ' 36' ' ' SER . 17.9 t -70.45 -35.6 62.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.991 178.27 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 41' ' ' ILE . . . . . 0.763 HD11 ' HB3' ' C' ' 18' ' ' LEU . 9.8 mm -69.04 -55.53 15.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.615 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 17.7 p -61.43 -48.35 81.59 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 120.931 0.396 . . . . 0.0 110.83 -179.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 43' ' ' ILE . . . . . 0.894 HG23 ' CE2' ' D' ' 129' ' ' TYR . 17.3 mt -59.76 -33.1 51.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.239 179.417 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 44' ' ' PHE . . . . . 0.689 ' HB3' HD22 ' C' ' 15' ' ' LEU . 1.8 m-85 -72.46 -57.66 4.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.699 179.451 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 45' ' ' GLN . . . . . 0.402 ' NE2' HG22 ' C' ' 41' ' ' ILE . 5.0 pt20 -78.05 -2.93 39.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.772 -178.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 46' ' ' SER . . . . . 0.486 ' CB ' ' CE1' ' D' ' 129' ' ' TYR . 1.2 m -47.89 127.58 12.2 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.799 0.333 . . . . 0.0 110.813 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -47.82 -34.35 8.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.239 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . 0.823 ' O ' HD12 ' C' ' 48' ' ' LEU . 1.7 tp -79.89 -43.69 21.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.092 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 49' ' ' PHE . . . . . 0.589 ' CE2' HD11 ' C' ' 53' ' ' ILE . 50.6 t80 -51.16 -56.29 13.52 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.588 0.232 . . . . 0.0 111.246 -179.669 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -55.97 -34.74 66.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.955 0.407 . . . . 0.0 110.472 179.645 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 51' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' C' ' 48' ' ' LEU . . . -59.15 -47.84 83.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.551 179.504 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 52' ' ' LEU . . . . . 0.505 HD13 ' O ' ' D' ' 125' ' ' LEU . 1.2 mt -59.67 -44.28 93.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.429 179.536 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 53' ' ' ILE . . . . . 0.596 HG12 HD13 ' D' ' 125' ' ' LEU . 37.3 mt -52.66 -43.15 43.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.69 179.531 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.52 -33.87 75.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.312 179.463 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 55' ' ' ILE . . . . . 0.659 HG22 ' HB2' ' C' ' 59' ' ' TYR . 73.1 mt -66.63 -43.49 90.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.809 179.611 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.04 -22.8 6.36 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.692 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 57' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -49.61 -32.51 13.02 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.58 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 58' ' ' PHE . . . . . 0.428 ' HA ' ' HG ' ' A' ' 64' ' ' LEU . 96.9 m-85 -155.05 25.08 0.43 Allowed 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.033 0.382 . . . . 0.0 112.033 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 59' ' ' TYR . . . . . 0.977 ' CD2' HD21 ' B' ' 128' ' ' LEU . 14.1 m-85 -132.21 70.96 1.46 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.316 -0.402 . . . . 0.0 109.967 179.254 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 60' ' ' GLU . . . . . 0.412 ' HB2' ' HB ' ' A' ' 62' ' ' THR . 1.7 mt-10 -59.17 96.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.083 -179.203 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 61' ' ' VAL . . . . . 0.503 HG23 HG21 ' D' ' 124' ' ' THR . 0.0 OUTLIER -72.76 96.73 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.951 0.405 . . . . 0.0 110.593 179.62 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 62' ' ' THR . . . . . . . . . . . . . 17.8 m -84.64 117.35 23.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.909 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 63' ' ' LEU . . . . . 0.624 HD11 ' CZ ' ' A' ' 59' ' ' TYR . 0.1 OUTLIER -90.82 130.69 36.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.413 179.618 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 64' ' ' LEU . . . . . 0.698 HD23 ' N ' ' C' ' 64' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.433 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.554 -179.609 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 82' ' ' LEU . . . . . 0.859 ' N ' HD23 ' D' ' 82' ' ' LEU . 0.3 OUTLIER . . . . . 0 CA--C 1.522 -0.115 0 CA-C-O 121.076 0.465 . . . . 0.0 110.222 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 83' ' ' LEU . . . . . 1.067 HD23 ' H ' ' D' ' 84' ' ' ALA . 0.2 OUTLIER -60.02 -50.4 73.89 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.65 -179.604 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 84' ' ' ALA . . . . . 1.067 ' H ' HD23 ' D' ' 83' ' ' LEU . . . -73.83 -22.41 59.79 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.171 -179.429 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 85' ' ' ALA . . . . . 0.869 ' O ' HD13 ' D' ' 126' ' ' LEU . . . -52.05 -26.63 11.35 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 179.105 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 86' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -125.41 -39.61 2.17 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.009 178.629 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 87' ' ' ARG . . . . . 0.73 ' HB3' ' O ' ' D' ' 83' ' ' LEU . 9.4 ttt-85 -64.52 -38.65 91.77 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.767 179.355 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 88' ' ' ALA . . . . . 0.851 ' HB2' ' HB1' ' D' ' 84' ' ' ALA . . . -69.89 -46.52 65.29 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.139 -179.614 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 89' ' ' VAL . . . . . 0.822 HG12 ' HB3' ' D' ' 117' ' ' PHE . 21.2 t -74.8 -31.93 27.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.099 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 90' ' ' SER . . . . . 0.486 ' HA ' ' HB2' ' D' ' 93' ' ' LEU . 72.2 m -76.12 -43.82 41.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.106 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 91' ' ' GLN . . . . . 0.423 ' CD ' ' HB2' ' C' ' 36' ' ' SER . 7.6 pt20 -62.18 -49.38 76.04 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-O 121.309 0.576 . . . . 0.0 109.618 179.695 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 92' ' ' VAL . . . . . 0.771 HG22 ' OG ' ' C' ' 36' ' ' SER . 75.8 t -66.05 -27.75 41.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.274 177.727 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 93' ' ' LEU . . . . . 0.772 HD21 ' HA ' ' D' ' 114' ' ' HIS . 1.1 mt -58.24 -41.93 85.24 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.818 179.072 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -80.52 -27.06 37.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.099 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 95' ' ' SER . . . . . 0.521 ' CB ' HD11 ' C' ' 33' ' ' LEU . 5.8 m -79.1 -20.13 49.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.814 -179.564 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 96' ' ' LEU . . . . . 0.888 HD22 HD22 ' D' ' 110' ' ' LEU . 0.2 OUTLIER -43.96 -52.38 7.0 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.009 0.433 . . . . 0.0 112.145 -179.421 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -67.47 -27.62 67.18 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 98' ' ' GLU . . . . . 0.769 ' O ' ' HB3' ' D' ' 101' ' ' ALA . 0.0 OUTLIER -69.96 -36.79 75.5 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.601 -1.259 . . . . 0.0 107.601 177.696 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 99' ' ' ILE . . . . . 0.954 HG12 HD11 ' C' ' 25' ' ' LEU . 82.1 mt -58.31 -45.98 89.15 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.704 0 CA-C-N 114.456 -1.247 . . . . 0.0 109.593 178.015 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 100' ' ' HIS . . . . . 1.003 ' HB2' HD11 ' D' ' 110' ' ' LEU . 5.4 t-160 -55.05 -43.24 73.62 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 178.25 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 101' ' ' ALA . . . . . 0.769 ' HB3' ' O ' ' D' ' 98' ' ' GLU . . . -50.46 -43.19 55.12 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 113.793 -1.549 . . . . 0.0 112.257 179.592 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 102' ' ' LEU . . . . . 0.584 HD12 HG23 ' D' ' 103' ' ' THR . 0.3 OUTLIER -118.49 28.97 8.01 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 113.029 0.751 . . . . 0.0 113.029 -177.499 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 103' ' ' THR . . . . . 0.584 HG23 HD12 ' D' ' 102' ' ' LEU . 25.3 p -152.82 -9.93 0.17 Allowed 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 113.094 0.776 . . . . 0.0 113.094 179.726 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 2.5 p30 46.12 27.95 0.59 Allowed 'General case' 0 CA--C 1.529 0.146 0 CA-C-O 120.826 0.346 . . . . 0.0 110.934 -179.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 105' ' ' SER . . . . . 0.436 ' HG ' ' HH ' ' C' ' 21' ' ' TYR . 7.0 t -48.41 -82.02 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.093 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 106' ' ' SER . . . . . . . . . . . . . 9.6 t 169.35 109.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.382 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -49.29 -36.81 21.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.759 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.45 -47.94 79.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 109.968 179.339 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 109' ' ' ASP . . . . . 0.668 ' O ' HD12 ' D' ' 113' ' ' LEU . 4.4 m-20 -63.09 -36.09 82.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.676 178.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 110' ' ' LEU . . . . . 1.003 HD11 ' HB2' ' D' ' 100' ' ' HIS . 17.5 mt -61.27 -52.76 63.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.069 179.132 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 111' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -53.77 -40.66 66.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.877 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 112' ' ' PHE . . . . . 0.459 ' O ' HG23 ' D' ' 116' ' ' VAL . 0.6 OUTLIER -59.04 -45.78 89.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.635 179.79 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 113' ' ' LEU . . . . . 0.668 HD12 ' O ' ' D' ' 109' ' ' ASP . 0.5 OUTLIER -70.51 -29.01 65.4 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.125 -179.647 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 114' ' ' HIS . . . . . 0.772 ' HA ' HD21 ' D' ' 93' ' ' LEU . 48.8 m80 -62.75 -38.26 89.85 Favored 'General case' 0 CA--C 1.516 -0.332 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 178.338 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 115' ' ' SER . . . . . . . . . . . . . 71.0 m -71.8 -37.8 70.36 Favored 'General case' 0 CA--C 1.517 -0.322 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 178.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 116' ' ' VAL . . . . . 0.868 HG11 ' CB ' ' C' ' 14' ' ' ALA . 44.6 t -61.53 -23.35 30.46 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.627 178.296 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 117' ' ' PHE . . . . . 0.822 ' HB3' HG12 ' D' ' 89' ' ' VAL . 9.4 m-30 -105.09 -23.57 12.91 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.47 -179.709 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 118' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' D' ' 114' ' ' HIS . 0.0 OUTLIER -71.16 -30.48 66.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.857 0.36 . . . . 0.0 111.47 -179.399 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -42.68 133.57 3.43 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.86 -179.322 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 120' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -76.7 -49.49 15.95 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.561 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 121' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -55.94 -34.0 65.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.298 179.548 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 122' ' ' LEU . . . . . 0.841 HD12 HD12 ' D' ' 125' ' ' LEU . 29.8 tp -55.88 -46.51 78.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.031 179.467 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 123' ' ' HIS . . . . . 0.992 ' HA ' HD12 ' D' ' 126' ' ' LEU . 48.8 m170 -53.86 -26.67 25.74 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.143 0.497 . . . . 0.0 109.82 178.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 124' ' ' THR . . . . . 0.503 HG21 HG23 ' C' ' 61' ' ' VAL . 2.6 m -76.4 -33.88 58.86 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.41 178.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 125' ' ' LEU . . . . . 0.841 HD12 HD12 ' D' ' 122' ' ' LEU . 13.2 mt -70.24 -40.88 74.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.509 179.382 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 126' ' ' LEU . . . . . 0.992 HD12 ' HA ' ' D' ' 123' ' ' HIS . 0.5 OUTLIER -69.12 -40.69 78.17 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.253 -179.679 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 127' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -64.31 -53.19 52.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.805 0.336 . . . . 0.0 111.095 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 128' ' ' LEU . . . . . 0.809 HD21 ' CD2' ' A' ' 59' ' ' TYR . 36.7 mt -62.06 -42.06 98.8 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.3 -179.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 129' ' ' TYR . . . . . 0.894 ' CE2' HG23 ' C' ' 43' ' ' ILE . 0.1 OUTLIER -55.81 -51.43 67.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.933 0.397 . . . . 0.0 111.145 -179.257 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 130' ' ' ASP . . . . . 0.426 ' OD2' ' CE2' ' D' ' 129' ' ' TYR . 19.1 m-20 -75.76 -22.9 56.03 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.97 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.16 -51.98 57.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.914 0.388 . . . . 0.0 110.615 179.626 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 132' ' ' ILE . . . . . 0.681 HD12 ' O ' ' D' ' 128' ' ' LEU . 2.1 mt -73.06 -35.97 49.54 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.781 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 133' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 . . . . . 0 C--N 1.325 -0.49 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.128 -179.542 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.51 HH21 HG22 ' B' ' 116' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.401 ' HD3' ' CG2' ' A' ' 53' ' ' ILE . 0.8 OUTLIER -62.41 -40.34 96.21 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-O 121.206 0.526 . . . . 0.0 109.686 179.123 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -76.9 -29.74 55.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.091 178.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.438 ' HB3' HG22 ' B' ' 116' ' ' VAL . 0.8 OUTLIER -77.47 -30.33 53.12 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.473 179.831 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.1 p -74.24 -44.34 53.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.517 179.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -67.95 -36.42 80.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.237 179.476 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.2 tpp180 -74.32 -25.31 59.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 109.932 179.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.791 ' CB ' HG11 ' B' ' 116' ' ' VAL . . . -78.15 -54.44 6.25 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.73 178.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.777 HD22 ' HB3' ' A' ' 44' ' ' PHE . 0.4 OUTLIER -62.49 -26.05 68.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.635 179.262 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 28.9 t60 -73.08 -45.33 57.85 Favored 'General case' 0 CA--C 1.517 -0.293 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 178.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.999 HD22 ' CE1' ' A' ' 21' ' ' TYR . 2.7 mt -62.88 -36.11 82.22 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.116 178.504 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.921 ' CD2' HG11 ' B' ' 92' ' ' VAL . 50.9 mt -60.61 -43.97 96.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.048 -0.978 . . . . 0.0 110.393 179.334 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.52 ' CD ' HG21 ' A' ' 41' ' ' ILE . 3.4 mm-40 -60.39 -45.55 93.14 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.576 179.674 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -71.25 -31.65 67.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.927 179.268 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.999 ' CE1' HD22 ' A' ' 17' ' ' LEU . 5.8 m-30 -67.36 -46.74 72.47 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.461 179.652 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.401 ' HB2' ' HG2' ' A' ' 34' ' ' ARG . 28.8 ptt85 -62.79 -38.37 90.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.723 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 98.2 p -63.29 -38.69 92.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.922 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt -92.04 -18.32 23.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.553 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.778 HD12 HD11 ' A' ' 37' ' ' ILE . 0.3 OUTLIER -77.94 -71.12 0.44 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.693 -179.774 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.477 ' HB2' ' HB2' ' A' ' 34' ' ' ARG . 14.6 t -62.87 -146.89 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.601 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 47.67 27.75 1.11 Allowed 'General case' 0 N--CA 1.452 -0.325 0 CA-C-O 121.037 0.446 . . . . 0.0 110.291 -179.471 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.447 HG23 ' HG2' ' A' ' 29' ' ' GLU . 3.1 t -152.65 -49.21 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.573 -179.654 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.447 ' HG2' HG23 ' A' ' 28' ' ' THR . 10.6 pt-20 -177.45 26.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.53 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.482 ' CB ' HD22 ' A' ' 25' ' ' LEU . 0.7 OUTLIER -144.01 60.19 1.36 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.059 0.457 . . . . 0.0 111.192 -179.657 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.8 mmm180 -68.08 -53.24 26.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.369 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.28 -49.7 76.82 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.777 179.092 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.47 HD11 ' CB ' ' B' ' 95' ' ' SER . 8.7 tp -51.58 -36.24 44.64 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.007 178.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.477 ' HB2' ' HB2' ' A' ' 26' ' ' SER . 18.8 ttp180 -60.61 -46.43 90.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.455 178.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 10.3 p -54.72 -35.3 63.53 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.386 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.524 ' O ' ' HG2' ' A' ' 39' ' ' ARG . 0.6 OUTLIER -66.47 -50.13 64.33 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.124 0.487 . . . . 0.0 110.319 179.385 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.778 HD11 HD12 ' A' ' 25' ' ' LEU . 28.2 mt -60.5 -37.69 75.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.727 178.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.414 ' HA ' HG12 ' A' ' 41' ' ' ILE . 7.6 mm-40 -64.54 -51.21 64.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 114.995 -1.002 . . . . 0.0 111.925 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.632 ' HG3' ' HB1' ' B' ' 88' ' ' ALA . 5.0 ptp85 -55.18 -38.3 68.17 Favored 'General case' 0 CA--C 1.52 -0.203 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.011 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.516 HG12 ' CD1' ' A' ' 44' ' ' PHE . 92.3 t -63.43 -40.99 91.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 178.17 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.709 HD11 ' HB3' ' A' ' 18' ' ' LEU . 13.4 mm -55.38 -58.35 4.78 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.157 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.769 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.7 t -58.38 -47.7 83.0 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-O 120.964 0.412 . . . . 0.0 110.649 -179.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.928 HG23 ' CE2' ' B' ' 129' ' ' TYR . 16.0 mt -59.89 -34.25 55.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.219 179.289 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.777 ' HB3' HD22 ' A' ' 15' ' ' LEU . 1.1 m-85 -72.79 -56.47 5.19 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.681 -0.69 . . . . 0.0 112.21 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.406 ' NE2' HG22 ' A' ' 41' ' ' ILE . 4.0 pt20 -80.17 -0.57 36.62 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -178.4 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.425 ' CB ' ' CE1' ' B' ' 129' ' ' TYR . 14.1 p -53.68 140.1 30.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.926 0.394 . . . . 0.0 110.799 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -56.71 -32.02 65.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.686 -179.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.772 ' O ' HD12 ' A' ' 48' ' ' LEU . 2.0 tp -79.29 -46.82 16.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.685 -0.234 . . . . 0.0 111.509 -179.589 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.918 ' CE2' HD11 ' A' ' 53' ' ' ILE . 81.2 t80 -51.51 -50.67 59.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.781 0.324 . . . . 0.0 111.384 -179.36 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 21.7 mm-40 -56.99 -43.08 81.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.054 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.595 ' CB ' HG23 ' D' ' 132' ' ' ILE . . . -58.25 -40.76 82.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.944 0.402 . . . . 0.0 110.207 179.732 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.598 HD21 ' HB3' ' B' ' 128' ' ' LEU . 2.7 mt -61.6 -43.57 98.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.698 178.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.918 HD11 ' CE2' ' A' ' 49' ' ' PHE . 55.5 mt -55.97 -34.01 36.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.191 178.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.83 -34.18 69.1 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.443 179.292 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.872 HD11 ' CG1' ' D' ' 132' ' ' ILE . 69.6 mt -66.26 -46.78 86.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.467 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.413 ' CG ' ' O ' ' A' ' 53' ' ' ILE . 1.9 pt20 -53.09 -21.26 4.54 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.816 -179.322 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.403 ' O ' ' CG ' ' A' ' 58' ' ' PHE . 8.5 tt0 -47.19 -32.66 4.59 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.71 0.29 . . . . 0.0 111.083 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.415 ' HA ' ' HG ' ' C' ' 64' ' ' LEU . 95.5 m-85 -156.71 35.76 0.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.312 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.974 ' CD2' HD21 ' D' ' 128' ' ' LEU . 45.8 m-85 -142.34 70.16 1.33 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.381 179.601 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.492 ' HB2' ' HB ' ' C' ' 62' ' ' THR . 67.4 mt-10 -57.23 91.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.95 -179.659 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.533 HG23 HG21 ' B' ' 124' ' ' THR . 0.0 OUTLIER -72.88 106.11 2.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.127 -179.935 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.411 ' HB ' ' HB2' ' C' ' 60' ' ' GLU . 3.2 m -89.3 122.22 32.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.482 179.672 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.618 HD11 ' CZ ' ' C' ' 59' ' ' TYR . 0.1 OUTLIER -92.92 131.31 38.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.092 -179.897 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.688 ' N ' HD23 ' A' ' 64' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.094 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . 0.854 ' N ' HD23 ' B' ' 82' ' ' LEU . 0.2 OUTLIER . . . . . 0 CA--C 1.519 -0.246 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . 0.972 HD23 ' H ' ' B' ' 84' ' ' ALA . 0.4 OUTLIER -61.42 -44.53 96.97 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.142 -0.936 . . . . 0.0 110.723 -179.795 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 1.005 ' HB1' ' HB2' ' B' ' 88' ' ' ALA . . . -78.7 -19.37 52.58 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.786 -178.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 85' ' ' ALA . . . . . 0.709 ' HB2' ' OD2' ' B' ' 130' ' ' ASP . . . -52.32 -24.02 6.83 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.346 0.593 . . . . 0.0 109.836 179.082 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . 0.412 ' O ' ' CB ' ' B' ' 90' ' ' SER . 10.2 tt0 -127.41 -39.69 1.85 Allowed 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.828 178.69 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 87' ' ' ARG . . . . . 0.698 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 20.2 ttt85 -64.96 -39.96 94.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.619 179.377 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . 1.005 ' HB2' ' HB1' ' B' ' 84' ' ' ALA . . . -69.94 -47.63 61.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.782 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 89' ' ' VAL . . . . . 0.642 HG13 ' CD1' ' B' ' 117' ' ' PHE . 37.8 t -70.29 -34.08 56.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.407 179.412 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 90' ' ' SER . . . . . 0.452 ' HA ' ' HB2' ' B' ' 93' ' ' LEU . 72.6 m -76.18 -25.01 54.79 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.352 179.19 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 91' ' ' GLN . . . . . 0.482 ' HB3' ' HB3' ' A' ' 36' ' ' SER . 9.5 mt-30 -67.73 -53.16 29.62 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 121.307 0.575 . . . . 0.0 109.462 179.323 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 92' ' ' VAL . . . . . 0.921 HG11 ' CD2' ' A' ' 18' ' ' LEU . 4.9 t -69.73 -27.77 34.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.168 -0.924 . . . . 0.0 109.968 179.116 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 93' ' ' LEU . . . . . 0.762 HD21 ' HA ' ' B' ' 114' ' ' HIS . 4.2 mt -68.76 -35.13 76.7 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.354 179.722 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -83.52 -37.64 22.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.919 0.39 . . . . 0.0 110.964 -179.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 95' ' ' SER . . . . . 0.47 ' CB ' HD11 ' A' ' 33' ' ' LEU . 0.5 OUTLIER -79.66 -20.34 46.88 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.712 -179.623 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . 0.816 HD13 ' HB3' ' B' ' 110' ' ' LEU . 0.1 OUTLIER -36.88 -49.11 0.79 Allowed 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 112.529 0.566 . . . . 0.0 112.529 -179.484 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -69.29 -32.13 71.09 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.226 -179.049 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . 0.821 ' OE2' HD21 ' B' ' 102' ' ' LEU . 0.0 OUTLIER -68.93 -35.81 77.25 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 177.68 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 99' ' ' ILE . . . . . 0.548 HG23 HG21 ' B' ' 103' ' ' THR . 8.4 mt -57.9 -48.37 84.09 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.645 0 CA-C-N 114.291 -1.322 . . . . 0.0 109.885 178.239 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 100' ' ' HIS . . . . . 0.77 ' HB2' HD11 ' B' ' 110' ' ' LEU . 15.8 t-160 -55.98 -39.91 72.51 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-O 121.971 0.891 . . . . 0.0 108.692 178.359 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 101' ' ' ALA . . . . . 0.789 ' HB3' ' O ' ' B' ' 98' ' ' GLU . . . -52.45 -41.62 63.46 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 113.884 -1.507 . . . . 0.0 111.819 179.48 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 102' ' ' LEU . . . . . 0.821 HD21 ' OE2' ' B' ' 98' ' ' GLU . 0.4 OUTLIER -123.53 35.47 4.85 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -177.351 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 103' ' ' THR . . . . . 0.652 HG23 HD12 ' B' ' 102' ' ' LEU . 39.7 p -150.69 -38.97 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.685 -0.406 . . . . 0.0 111.856 179.6 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 74.89 29.95 0.98 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.987 0.422 . . . . 0.0 110.14 -178.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 105' ' ' SER . . . . . 0.421 ' HB3' ' CZ ' ' A' ' 21' ' ' TYR . 3.1 m -64.59 -8.5 14.39 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.75 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 75.57 118.96 0.05 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.846 0.355 . . . . 0.0 110.554 -179.685 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . 0.729 ' HA ' HD12 ' B' ' 110' ' ' LEU . 0.4 OUTLIER -50.64 -27.02 6.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.182 -179.78 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.3 -51.71 68.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.131 0.491 . . . . 0.0 110.212 179.472 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 109' ' ' ASP . . . . . 0.626 ' O ' HD12 ' B' ' 113' ' ' LEU . 14.6 m-20 -65.49 -39.84 92.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.878 179.002 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 110' ' ' LEU . . . . . 0.816 ' HB3' HD13 ' B' ' 96' ' ' LEU . 52.2 mt -61.31 -36.46 80.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.124 179.188 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 111' ' ' ASP . . . . . 0.427 ' O ' ' ND1' ' B' ' 114' ' ' HIS . 0.7 OUTLIER -66.32 -43.03 87.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.665 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 112' ' ' PHE . . . . . 0.555 ' O ' HG23 ' B' ' 116' ' ' VAL . 0.5 OUTLIER -60.81 -37.2 81.15 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.461 179.81 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 113' ' ' LEU . . . . . 0.719 HD11 ' CD1' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -78.45 -35.06 47.26 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.862 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 114' ' ' HIS . . . . . 0.762 ' HA ' HD21 ' B' ' 93' ' ' LEU . 0.0 OUTLIER -61.65 -29.03 69.8 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 178.708 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 1.9 m -79.32 -39.09 33.66 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 177.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 116' ' ' VAL . . . . . 0.865 ' O ' HD22 ' B' ' 122' ' ' LEU . 25.2 t -61.04 -24.02 31.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.669 178.27 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 117' ' ' PHE . . . . . 0.642 ' CD1' HG13 ' B' ' 89' ' ' VAL . 22.4 m-85 -99.86 -31.8 11.32 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.432 -179.482 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 118' ' ' GLN . . . . . 0.472 ' OE1' ' CD2' ' B' ' 114' ' ' HIS . 0.0 OUTLIER -66.65 -27.54 67.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.785 0.326 . . . . 0.0 111.587 -179.378 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.16 126.94 6.53 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.463 -179.683 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 120' ' ' GLN . . . . . 0.437 ' O ' ' CD2' ' B' ' 123' ' ' HIS . 0.0 OUTLIER -68.44 -49.69 58.03 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.713 179.921 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 121' ' ' HIS . . . . . 0.41 ' O ' ' HB ' ' B' ' 124' ' ' THR . 4.2 m-70 -55.14 -33.31 62.81 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.399 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . 0.865 HD22 ' O ' ' B' ' 116' ' ' VAL . 26.6 tp -56.07 -50.56 70.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.718 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 123' ' ' HIS . . . . . 0.593 ' HA ' HD12 ' B' ' 126' ' ' LEU . 0.0 OUTLIER -52.43 -25.94 11.35 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.962 0.41 . . . . 0.0 110.169 179.597 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 124' ' ' THR . . . . . 0.533 HG21 HG23 ' A' ' 61' ' ' VAL . 9.2 m -76.79 -34.46 57.98 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.412 178.636 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . 0.514 HD13 HG12 ' A' ' 53' ' ' ILE . 16.6 mt -65.65 -40.16 92.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.338 179.078 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . 0.619 ' CB ' ' HB1' ' B' ' 85' ' ' ALA . 1.4 mp -68.4 -50.82 50.15 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.288 -179.604 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 127' ' ' ASP . . . . . 0.417 ' O ' ' OD1' ' B' ' 130' ' ' ASP . 72.5 m-20 -59.53 -48.74 80.47 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.97 0.414 . . . . 0.0 110.826 179.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . 0.894 HD21 ' CD2' ' C' ' 59' ' ' TYR . 96.2 mt -60.96 -40.38 93.12 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.952 0.405 . . . . 0.0 110.454 179.687 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 129' ' ' TYR . . . . . 0.928 ' CE2' HG23 ' A' ' 43' ' ' ILE . 0.2 OUTLIER -65.73 -50.58 64.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.209 -179.66 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 130' ' ' ASP . . . . . 0.709 ' OD2' ' HB2' ' B' ' 85' ' ' ALA . 4.2 p30 -75.23 -19.92 59.5 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.326 -179.687 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.11 -46.65 33.11 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.699 0.285 . . . . 0.0 111.077 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 132' ' ' ILE . . . . . 0.573 ' HB ' HD21 ' A' ' 48' ' ' LEU . 4.2 mt -74.58 -35.71 38.88 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 CA-C-O 120.899 0.38 . . . . 0.0 110.791 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 133' ' ' ASN . . . . . 0.412 ' HB2' HD23 ' A' ' 48' ' ' LEU . 3.4 t-20 -65.02 -26.49 68.3 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.313 -179.615 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 83.3 m -90.38 -27.5 19.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.106 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 135' ' ' LYS . . . . . 0.412 ' HD3' ' HB2' ' C' ' 51' ' ' ALA . 0.0 OUTLIER -59.67 -62.73 1.66 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.216 -179.91 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 84.2 p . . . . . 0 C--N 1.324 -0.508 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.206 -179.704 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 7' ' ' ARG . . . . . 0.698 ' HG3' HG23 ' C' ' 11' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.123 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 8' ' ' LYS . . . . . 0.613 ' HG2' HG21 ' C' ' 53' ' ' ILE . 39.0 mttt -66.23 -38.65 88.42 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 121.283 0.563 . . . . 0.0 109.703 178.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -75.45 -31.58 60.36 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.985 179.077 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 10' ' ' ASP . . . . . 0.59 ' HB3' HG22 ' D' ' 116' ' ' VAL . 87.3 m-20 -80.36 -29.81 37.93 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.645 179.717 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 11' ' ' THR . . . . . 0.698 HG23 ' HG3' ' C' ' 7' ' ' ARG . 21.6 p -77.45 -38.59 49.05 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.594 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -72.87 -37.27 67.4 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 179.34 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 -72.8 -28.2 62.43 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.849 178.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 14' ' ' ALA . . . . . 0.932 ' CB ' HG11 ' D' ' 116' ' ' VAL . . . -78.49 -55.54 5.14 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 178.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 15' ' ' LEU . . . . . 0.824 ' HA ' HD12 ' C' ' 18' ' ' LEU . 0.3 OUTLIER -60.74 -24.47 65.74 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.493 178.931 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 16' ' ' HIS . . . . . 0.424 ' HA ' ' HG2' ' C' ' 19' ' ' GLU . 39.9 t60 -73.27 -47.53 42.24 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 178.56 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . 0.906 HD22 ' CZ ' ' C' ' 21' ' ' TYR . 1.6 mt -63.54 -37.64 88.09 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.518 178.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . 0.859 HD22 HG11 ' D' ' 92' ' ' VAL . 20.7 mt -62.91 -49.93 72.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.096 -0.956 . . . . 0.0 111.077 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 19' ' ' GLU . . . . . 0.445 ' O ' ' HG2' ' C' ' 22' ' ' ARG . 4.6 pt-20 -60.23 -31.77 70.5 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.865 0.364 . . . . 0.0 110.649 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 20' ' ' GLU . . . . . 0.407 ' N ' ' HG3' ' C' ' 19' ' ' GLU . 0.5 OUTLIER -75.66 -35.36 60.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.954 179.368 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 21' ' ' TYR . . . . . 0.906 ' CZ ' HD22 ' C' ' 17' ' ' LEU . 19.1 m-85 -70.05 -47.29 62.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.574 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 22' ' ' ARG . . . . . 0.479 ' HA ' ' HB2' ' C' ' 25' ' ' LEU . 30.7 ptt85 -57.99 -47.33 83.32 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.559 179.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 23' ' ' SER . . . . . 0.442 ' N ' ' HG3' ' C' ' 22' ' ' ARG . 2.4 p -57.36 -40.86 78.97 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.701 179.589 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 24' ' ' LYS . . . . . . . . . . . . . 8.6 ptmt -93.34 4.68 53.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.965 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 25' ' ' LEU . . . . . 0.912 HD11 HG12 ' D' ' 99' ' ' ILE . 0.7 OUTLIER -92.34 -74.26 0.52 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.946 -179.109 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . 0.643 ' HB2' ' HD2' ' C' ' 31' ' ' ARG . 52.5 p -44.13 -28.26 0.48 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -178.35 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 27' ' ' GLN . . . . . 0.427 ' O ' ' HB ' ' C' ' 28' ' ' THR . 0.4 OUTLIER -70.9 55.49 0.18 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.833 0.349 . . . . 0.0 111.828 -178.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 28' ' ' THR . . . . . 0.819 HG22 ' O ' ' C' ' 25' ' ' LEU . 8.8 t -178.62 -60.28 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.741 179.427 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 29' ' ' GLU . . . . . 0.642 ' N ' HG23 ' C' ' 28' ' ' THR . 16.8 pt-20 -176.89 28.84 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.598 -179.186 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 30' ' ' ASP . . . . . 0.418 ' CB ' HD22 ' C' ' 25' ' ' LEU . 3.2 m-20 -134.83 44.81 2.6 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.955 0.407 . . . . 0.0 110.852 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . 0.643 ' HD2' ' HB2' ' C' ' 26' ' ' SER . 18.6 mmm180 -62.06 -47.24 85.57 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.389 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -40.31 89.69 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.311 0.577 . . . . 0.0 109.7 178.44 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 33' ' ' LEU . . . . . 0.73 HD21 ' HB3' ' D' ' 95' ' ' SER . 4.1 tp -59.87 -34.57 73.32 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.286 179.043 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 34' ' ' ARG . . . . . 0.621 ' HB2' ' HB3' ' C' ' 26' ' ' SER . 0.4 OUTLIER -61.11 -44.67 97.0 Favored 'General case' 0 CA--C 1.516 -0.346 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 178.721 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.64 -41.66 73.88 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.538 178.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 36' ' ' SER . . . . . 0.473 ' HB3' ' NE2' ' D' ' 91' ' ' GLN . 0.0 OUTLIER -63.45 -51.52 65.32 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.132 0.492 . . . . 0.0 110.164 179.379 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 37' ' ' ILE . . . . . 0.898 HD11 HD12 ' C' ' 25' ' ' LEU . 9.8 mt -57.88 -39.42 71.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.872 178.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.45 -46.02 73.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.083 -0.962 . . . . 0.0 110.547 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 39' ' ' ARG . . . . . 0.441 ' HB3' ' CB ' ' D' ' 88' ' ' ALA . 54.9 mtt180 -56.02 -49.68 73.02 Favored 'General case' 0 CA--C 1.514 -0.419 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 178.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . 0.608 ' O ' ' HB2' ' C' ' 44' ' ' PHE . 46.7 t -60.46 -32.82 52.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.693 179.664 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 41' ' ' ILE . . . . . 0.561 HD11 ' CB ' ' C' ' 18' ' ' LEU . 5.1 mm -70.25 -53.14 24.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 C-N-CA 121.016 -0.273 . . . . 0.0 111.562 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 11.3 t -64.53 -48.31 75.55 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-O 120.778 0.323 . . . . 0.0 111.049 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 43' ' ' ILE . . . . . 0.425 ' O ' ' CG ' ' C' ' 49' ' ' PHE . 8.5 mt -59.3 -34.6 54.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.28 179.623 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 44' ' ' PHE . . . . . 0.76 ' HB3' HD22 ' C' ' 15' ' ' LEU . 2.2 m-85 -72.71 -56.81 4.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.393 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 45' ' ' GLN . . . . . 0.451 ' NE2' HG22 ' C' ' 41' ' ' ILE . 3.2 pt20 -80.1 -9.18 59.69 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -177.563 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 46' ' ' SER . . . . . 0.485 ' OG ' ' HB2' ' C' ' 49' ' ' PHE . 21.9 p -46.99 144.98 2.25 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.868 0.366 . . . . 0.0 111.079 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.55 -40.04 81.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.912 -179.268 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . 0.744 ' O ' HD12 ' C' ' 48' ' ' LEU . 2.0 tp -72.62 -48.22 41.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.572 -0.286 . . . . 0.0 111.447 -179.261 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 49' ' ' PHE . . . . . 0.957 ' O ' HD23 ' C' ' 52' ' ' LEU . 43.0 t80 -51.83 -56.76 12.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.803 0.335 . . . . 0.0 111.285 -179.366 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -57.21 -38.09 73.19 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.111 0.482 . . . . 0.0 110.59 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 51' ' ' ALA . . . . . 0.412 ' HB2' ' HD3' ' B' ' 135' ' ' LYS . . . -60.83 -46.53 90.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.554 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 52' ' ' LEU . . . . . 1.057 HD11 ' HA ' ' D' ' 125' ' ' LEU . 0.1 OUTLIER -68.09 -32.61 73.05 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 120.606 -0.437 . . . . 0.0 110.513 -179.706 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 53' ' ' ILE . . . . . 0.879 HG12 HD13 ' D' ' 125' ' ' LEU . 49.5 mt -58.86 -39.8 78.42 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 178.232 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -63.06 -40.6 98.18 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.261 178.219 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 55' ' ' ILE . . . . . 0.731 HD12 ' HA ' ' C' ' 52' ' ' LEU . 96.7 mt -54.54 -47.06 72.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.497 178.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 56' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -50.92 -24.24 3.46 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.789 -0.642 . . . . 0.0 111.59 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 57' ' ' GLU . . . . . 0.414 ' O ' ' CD2' ' C' ' 58' ' ' PHE . 59.4 mt-10 -45.88 -30.1 1.61 Allowed 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.853 0.359 . . . . 0.0 111.013 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 58' ' ' PHE . . . . . 0.414 ' CD2' ' O ' ' C' ' 57' ' ' GLU . 62.9 m-85 -156.9 27.4 0.32 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.086 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 59' ' ' TYR . . . . . 0.894 ' CD2' HD21 ' B' ' 128' ' ' LEU . 17.4 m-85 -134.22 74.84 1.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.644 179.718 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 60' ' ' GLU . . . . . 0.411 ' HB2' ' HB ' ' A' ' 62' ' ' THR . 1.3 mm-40 -59.4 102.08 0.13 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.944 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 61' ' ' VAL . . . . . 0.49 HG13 HG12 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -81.62 96.71 3.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.93 0.395 . . . . 0.0 110.865 179.814 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 62' ' ' THR . . . . . 0.492 ' HB ' ' HB2' ' A' ' 60' ' ' GLU . 2.7 m -81.24 114.07 19.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.214 179.537 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 63' ' ' LEU . . . . . 0.492 HD11 ' CZ ' ' A' ' 59' ' ' TYR . 0.2 OUTLIER -88.45 132.69 34.37 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.333 -179.587 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 64' ' ' LEU . . . . . 0.799 HD23 ' N ' ' C' ' 64' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.721 179.631 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 82' ' ' LEU . . . . . 0.868 ' N ' HD23 ' D' ' 82' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.457 -0.112 0 CA-C-O 121.113 0.482 . . . . 0.0 109.941 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 83' ' ' LEU . . . . . 1.033 HD23 ' H ' ' D' ' 84' ' ' ALA . 0.2 OUTLIER -55.05 -50.68 68.49 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.156 -179.229 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' D' D ' 84' ' ' ALA . . . . . 1.033 ' H ' HD23 ' D' ' 83' ' ' LEU . . . -72.03 -26.48 62.22 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.304 -179.27 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 85' ' ' ALA . . . . . 0.885 ' HB1' ' HB2' ' D' ' 126' ' ' LEU . . . -52.84 -26.35 14.31 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.989 0.423 . . . . 0.0 110.41 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 86' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -123.3 -41.48 2.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.699 178.757 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 87' ' ' ARG . . . . . 0.8 ' HB3' ' O ' ' D' ' 83' ' ' LEU . 13.5 ttt180 -61.68 -52.54 63.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.996 178.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 88' ' ' ALA . . . . . 0.701 ' HB3' ' O ' ' D' ' 84' ' ' ALA . . . -58.63 -40.08 82.32 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.864 179.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 89' ' ' VAL . . . . . 0.5 ' CG1' ' HB3' ' D' ' 117' ' ' PHE . 59.7 t -65.61 -56.24 16.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.322 179.228 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.63 -22.88 64.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.897 179.471 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 91' ' ' GLN . . . . . 0.531 ' NE2' ' HA ' ' D' ' 88' ' ' ALA . 11.7 mt-30 -67.43 -57.25 6.91 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-O 121.276 0.56 . . . . 0.0 109.787 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 92' ' ' VAL . . . . . 0.859 HG11 HD22 ' C' ' 18' ' ' LEU . 8.2 t -69.49 -28.29 37.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.926 179.042 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 93' ' ' LEU . . . . . 0.791 HD21 ' HA ' ' D' ' 114' ' ' HIS . 3.7 mt -69.72 -26.99 64.6 Favored 'General case' 0 N--CA 1.457 -0.121 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.152 179.453 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.34 -45.46 10.56 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-O 120.881 0.372 . . . . 0.0 111.183 -179.663 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 95' ' ' SER . . . . . 0.73 ' HB3' HD21 ' C' ' 33' ' ' LEU . 0.5 OUTLIER -79.7 -9.64 59.67 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.801 -179.5 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' D' D ' 96' ' ' LEU . . . . . 0.785 HD13 ' HB3' ' D' ' 110' ' ' LEU . 0.1 OUTLIER -43.5 -52.12 6.31 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.065 0.459 . . . . 0.0 111.829 -179.575 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -68.19 -27.29 66.27 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.108 -179.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 98' ' ' GLU . . . . . 0.819 ' O ' ' HB3' ' D' ' 101' ' ' ALA . 0.1 OUTLIER -71.6 -35.77 70.61 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 178.143 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' D' D ' 99' ' ' ILE . . . . . 0.912 HG12 HD11 ' C' ' 25' ' ' LEU . 86.3 mt -59.55 -49.71 82.66 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.7 0 CA-C-N 114.677 -1.147 . . . . 0.0 109.605 178.329 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 100' ' ' HIS . . . . . 0.904 ' HB2' HD11 ' D' ' 110' ' ' LEU . 1.7 t-160 -57.79 -34.76 69.97 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 178.339 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 101' ' ' ALA . . . . . 0.819 ' HB3' ' O ' ' D' ' 98' ' ' GLU . . . -54.71 -43.09 72.27 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.569 -1.196 . . . . 0.0 111.665 179.334 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 102' ' ' LEU . . . . . 0.785 HD21 ' OE2' ' D' ' 98' ' ' GLU . 0.3 OUTLIER -118.49 22.18 12.21 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 -177.509 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' D' D ' 103' ' ' THR . . . . . 0.694 HG23 HD12 ' D' ' 102' ' ' LEU . 36.6 p -143.09 -8.19 0.8 Allowed 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 112.509 0.559 . . . . 0.0 112.509 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 2.8 t0 55.3 22.26 4.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.833 0.349 . . . . 0.0 110.97 -179.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 105' ' ' SER . . . . . 0.46 ' HB3' ' CE1' ' C' ' 21' ' ' TYR . 12.1 p -57.51 -23.05 47.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.946 179.601 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 106' ' ' SER . . . . . . . . . . . . . 1.7 p 79.42 127.98 0.05 OUTLIER 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.003 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 107' ' ' GLU . . . . . 0.573 ' HA ' HD12 ' D' ' 110' ' ' LEU . 2.5 mm-40 -54.72 -23.61 18.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.909 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.3 -55.17 38.41 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 121.021 0.439 . . . . 0.0 110.132 179.518 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 109' ' ' ASP . . . . . 0.789 ' O ' HD12 ' D' ' 113' ' ' LEU . 4.5 m-20 -63.19 -38.56 91.66 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.828 179.13 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 110' ' ' LEU . . . . . 0.904 HD11 ' HB2' ' D' ' 100' ' ' HIS . 61.8 mt -64.42 -35.23 80.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.301 179.298 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 111' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -63.19 -48.83 76.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.692 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 112' ' ' PHE . . . . . 0.551 ' O ' HG23 ' D' ' 116' ' ' VAL . 2.0 t80 -59.03 -41.37 87.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.453 179.772 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 113' ' ' LEU . . . . . 0.789 HD12 ' O ' ' D' ' 109' ' ' ASP . 0.4 OUTLIER -71.68 -38.89 70.56 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.174 -179.582 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' D' D ' 114' ' ' HIS . . . . . 0.791 ' HA ' HD21 ' D' ' 93' ' ' LEU . 0.3 OUTLIER -60.6 -35.19 75.51 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 178.877 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' D' D ' 115' ' ' SER . . . . . . . . . . . . . 8.7 t -72.4 -35.51 68.42 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 177.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 116' ' ' VAL . . . . . 0.932 HG11 ' CB ' ' C' ' 14' ' ' ALA . 17.6 t -65.06 -23.81 34.12 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 CA-C-N 115.056 -0.974 . . . . 0.0 109.392 177.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 117' ' ' PHE . . . . . 0.781 ' CZ ' HD11 ' C' ' 18' ' ' LEU . 7.6 m-85 -100.68 -25.92 13.98 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.294 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 118' ' ' GLN . . . . . 0.425 ' NE2' ' CE1' ' D' ' 114' ' ' HIS . 0.0 OUTLIER -73.79 -26.89 60.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.36 -179.481 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -41.46 134.54 2.28 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.938 -179.267 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 120' ' ' GLN . . . . . . . . . . . . . 4.6 tm0? -71.6 -50.45 30.77 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.665 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 121' ' ' HIS . . . . . . . . . . . . . 23.1 m80 -55.87 -34.26 65.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.447 179.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 122' ' ' LEU . . . . . 0.871 HD22 ' O ' ' D' ' 116' ' ' VAL . 53.6 tp -56.07 -47.78 77.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.098 179.5 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 123' ' ' HIS . . . . . 0.798 ' HA ' HD12 ' D' ' 126' ' ' LEU . 91.4 m-70 -53.03 -27.5 19.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.152 0.501 . . . . 0.0 109.952 178.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 124' ' ' THR . . . . . 0.42 HG22 ' CD1' ' D' ' 128' ' ' LEU . 4.6 m -77.77 -30.41 51.42 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.666 179.082 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 125' ' ' LEU . . . . . 1.057 ' HA ' HD11 ' C' ' 52' ' ' LEU . 28.6 mt -69.47 -43.87 72.34 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.334 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 126' ' ' LEU . . . . . 0.885 ' HB2' ' HB1' ' D' ' 85' ' ' ALA . 0.3 OUTLIER -71.41 -39.35 71.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.977 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' D' D ' 127' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -66.85 -41.74 86.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.573 -179.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 128' ' ' LEU . . . . . 0.974 HD21 ' CD2' ' A' ' 59' ' ' TYR . 72.3 mt -75.82 -40.25 55.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.921 0.391 . . . . 0.0 110.862 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 129' ' ' TYR . . . . . 0.419 ' O ' HD23 ' C' ' 48' ' ' LEU . 2.4 t80 -55.6 -51.31 67.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.905 -179.683 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 130' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -75.57 -29.62 59.39 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 131' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.22 -49.91 75.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.697 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 132' ' ' ILE . . . . . 0.872 ' CG1' HD11 ' A' ' 55' ' ' ILE . 2.5 mt -75.42 -33.25 27.08 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 CA-C-O 121.006 0.432 . . . . 0.0 110.808 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 133' ' ' ASN . . . . . 0.465 ' HB2' HD23 ' C' ' 48' ' ' LEU . 7.0 t-20 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.26 -179.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.7 mtm180 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.407 ' HA ' ' OG1' ' A' ' 11' ' ' THR . 0.1 OUTLIER -64.0 -37.94 89.24 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 179.247 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -72.39 -32.43 66.39 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.604 178.635 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.54 ' HB3' HG22 ' B' ' 116' ' ' VAL . 4.7 m-20 -76.96 -29.91 55.79 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.36 179.724 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.426 HG21 HD13 ' A' ' 53' ' ' ILE . 1.3 p -70.24 -42.83 71.7 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.284 179.696 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.32 -35.2 71.15 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 179.23 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.6 tpt180 -76.04 -25.27 55.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.85 178.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.823 ' CB ' HG11 ' B' ' 116' ' ' VAL . . . -78.68 -54.52 6.03 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.563 178.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.865 ' HA ' HD12 ' A' ' 18' ' ' LEU . 0.4 OUTLIER -63.92 -26.85 68.78 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.687 179.363 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 19.6 t-160 -73.62 -45.02 55.47 Favored 'General case' 0 CA--C 1.519 -0.215 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.939 HD22 ' CE1' ' A' ' 21' ' ' TYR . 2.0 mt -62.61 -37.15 85.14 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.344 178.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.898 HD22 HG11 ' B' ' 92' ' ' VAL . 47.0 mt -60.24 -48.2 82.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.521 179.657 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.419 ' O ' ' CG ' ' A' ' 22' ' ' ARG . 34.4 mt-10 -57.81 -44.0 86.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.772 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.44 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 14.0 mt-10 -70.16 -34.59 73.21 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.153 0.501 . . . . 0.0 109.695 179.427 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.939 ' CE1' HD22 ' A' ' 17' ' ' LEU . 12.0 m-30 -66.09 -46.43 77.66 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.906 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.419 ' CG ' ' O ' ' A' ' 19' ' ' GLU . 38.0 ptt85 -60.18 -39.69 87.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.897 0.38 . . . . 0.0 110.217 179.438 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.44 -46.41 80.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.264 179.268 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.44 ' HG3' ' O ' ' A' ' 20' ' ' GLU . 38.3 mtpt -81.05 -23.41 38.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.981 179.425 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.904 HD12 HD11 ' A' ' 37' ' ' ILE . 0.2 OUTLIER -69.6 -74.1 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.872 -179.185 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.461 ' HB3' ' HB2' ' A' ' 34' ' ' ARG . 1.4 p -57.16 -162.73 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.437 -179.145 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.406 ' OE1' ' NH1' ' A' ' 31' ' ' ARG . 1.5 mp0 60.58 30.22 19.58 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.423 -179.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.628 HG23 ' H ' ' A' ' 29' ' ' GLU . 6.0 t -154.25 -58.57 0.12 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.295 -179.587 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.628 ' H ' HG23 ' A' ' 28' ' ' THR . 17.0 pt-20 -174.97 28.25 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.756 -179.28 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.402 ' CB ' HD22 ' A' ' 25' ' ' LEU . 0.7 OUTLIER -146.99 53.48 1.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.018 0.437 . . . . 0.0 110.931 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.406 ' NH1' ' OE1' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -64.78 -49.37 70.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.024 179.588 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.83 -51.34 69.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.117 179.214 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.806 ' CD2' HD11 ' A' ' 25' ' ' LEU . 35.6 tp -52.6 -35.02 53.42 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.074 179.027 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.461 ' HB2' ' HB3' ' A' ' 26' ' ' SER . 6.6 ttp180 -60.51 -41.86 95.2 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 178.63 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.2 t -60.45 -34.56 74.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.171 179.104 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.512 ' O ' ' HG2' ' A' ' 39' ' ' ARG . 0.8 OUTLIER -66.69 -46.22 76.31 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.233 0.539 . . . . 0.0 110.387 179.509 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.904 HD11 HD12 ' A' ' 25' ' ' LEU . 52.4 mt -61.15 -39.53 82.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.867 178.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -62.19 -51.52 67.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.122 -0.945 . . . . 0.0 111.914 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.772 ' HG3' ' HB1' ' B' ' 88' ' ' ALA . 4.5 ptp180 -55.33 -38.52 68.84 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.04 -179.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.437 HG12 ' CD1' ' A' ' 44' ' ' PHE . 88.0 t -63.93 -40.95 90.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 178.405 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.581 HG12 ' O ' ' A' ' 37' ' ' ILE . 8.3 mm -55.36 -56.6 10.79 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.164 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.363 179.506 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.9 t -60.03 -47.55 85.4 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.914 0.388 . . . . 0.0 110.787 -179.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.427 ' O ' ' CG ' ' A' ' 49' ' ' PHE . 22.1 mt -59.86 -34.26 55.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.078 179.333 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.74 ' HB3' HD22 ' A' ' 15' ' ' LEU . 1.2 m-85 -72.47 -57.62 4.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.768 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -77.98 -2.26 36.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.788 -179.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.55 ' HG ' ' HE1' ' B' ' 129' ' ' TYR . 0.1 OUTLIER -49.44 141.23 9.35 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.931 0.396 . . . . 0.0 111.046 -179.858 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.98 -36.07 76.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.328 -179.522 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.841 ' O ' HD12 ' A' ' 48' ' ' LEU . 0.9 OUTLIER -79.44 -45.27 19.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.147 -179.759 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.621 ' CE1' HD23 ' B' ' 126' ' ' LEU . 51.2 t80 -51.15 -56.17 14.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.264 -179.52 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -56.91 -36.67 70.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.891 0.377 . . . . 0.0 110.519 179.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.18 -44.34 92.19 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.405 179.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.577 HD21 ' HB3' ' B' ' 128' ' ' LEU . 3.6 mt -60.75 -43.7 97.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.979 179.177 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.852 HG12 HD13 ' B' ' 125' ' ' LEU . 7.1 mt -55.24 -39.57 52.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.621 179.48 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -63.33 -44.02 96.11 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.235 179.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.534 HG22 ' HB2' ' A' ' 59' ' ' TYR . 64.1 mt -62.03 -35.63 69.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.633 179.369 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -57.17 -18.09 13.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.685 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.432 ' O ' ' CD1' ' A' ' 58' ' ' PHE . 5.8 mm-40 -43.84 -46.26 7.81 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 120.672 0.272 . . . . 0.0 111.6 -179.679 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.432 ' CD1' ' O ' ' A' ' 57' ' ' GLU . 15.8 m-85 -149.14 30.38 0.78 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.642 -179.695 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.84 ' CE2' HD11 ' C' ' 63' ' ' LEU . 9.3 m-85 -129.83 71.17 1.44 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.816 179.654 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.462 ' HG3' HD22 ' C' ' 64' ' ' LEU . 1.6 mt-10 -58.51 93.97 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.84 0.352 . . . . 0.0 110.799 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.659 HG23 HG21 ' B' ' 124' ' ' THR . 0.0 OUTLIER -72.92 98.88 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.102 -179.908 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.401 ' HB ' ' HB2' ' C' ' 60' ' ' GLU . 5.5 m -78.94 121.69 25.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.328 179.542 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.514 HD11 ' CZ ' ' C' ' 59' ' ' TYR . 0.1 OUTLIER -93.67 131.58 38.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.033 0.444 . . . . 0.0 111.213 -179.914 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.643 ' N ' HD23 ' A' ' 64' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.918 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . 0.419 ' HB2' ' OD2' ' B' ' 130' ' ' ASP . 8.2 tt . . . . . 0 N--CA 1.448 -0.55 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . 0.947 HD23 ' H ' ' B' ' 84' ' ' ALA . 0.5 OUTLIER -73.18 -43.76 60.92 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.457 179.422 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 1.114 ' HB1' ' HB2' ' B' ' 88' ' ' ALA . . . -79.62 -17.78 53.05 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 114.875 -1.057 . . . . 0.0 111.052 -179.723 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 85' ' ' ALA . . . . . 0.868 ' HB1' ' HB3' ' B' ' 126' ' ' LEU . . . -51.75 -24.49 5.94 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 178.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -127.24 -36.89 2.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.973 178.36 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 87' ' ' ARG . . . . . 0.655 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 17.1 ttt-85 -69.86 -34.75 74.02 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.961 179.726 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . 1.114 ' HB2' ' HB1' ' B' ' 84' ' ' ALA . . . -73.45 -41.53 63.09 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.792 -179.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 89' ' ' VAL . . . . . 0.649 HG13 ' CD1' ' B' ' 117' ' ' PHE . 40.8 t -69.88 -34.2 59.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.319 179.242 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 90' ' ' SER . . . . . 0.432 ' HA ' ' HB2' ' B' ' 93' ' ' LEU . 1.2 m -75.16 -27.58 59.75 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.598 179.43 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 91' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -66.92 -55.55 14.15 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-O 121.3 0.571 . . . . 0.0 109.697 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 92' ' ' VAL . . . . . 0.898 HG11 HD22 ' A' ' 18' ' ' LEU . 6.8 t -66.54 -27.7 41.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.844 179.095 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 93' ' ' LEU . . . . . 0.742 HD21 ' HA ' ' B' ' 114' ' ' HIS . 2.9 mt -65.86 -35.9 81.95 Favored 'General case' 0 N--CA 1.458 -0.067 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.507 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -81.8 -39.59 23.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.947 0.403 . . . . 0.0 111.067 -179.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 95' ' ' SER . . . . . 0.686 ' OG ' HD11 ' A' ' 33' ' ' LEU . 1.2 p -80.08 -20.18 45.76 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.257 -179.444 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . 0.525 HD22 HD22 ' B' ' 110' ' ' LEU . 0.1 OUTLIER -34.71 -52.84 0.53 Allowed 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 112.643 0.609 . . . . 0.0 112.643 -179.036 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -71.38 -29.55 65.08 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.005 0.431 . . . . 0.0 111.285 -179.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . 0.812 ' O ' ' HB3' ' B' ' 101' ' ' ALA . 0.2 OUTLIER -69.95 -33.02 71.56 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 177.76 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 99' ' ' ILE . . . . . 0.562 HG23 HG21 ' B' ' 103' ' ' THR . 13.8 mt -63.01 -49.55 83.12 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.879 0 CA-C-N 114.556 -1.202 . . . . 0.0 109.963 178.642 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 100' ' ' HIS . . . . . 0.857 ' HB2' HD11 ' B' ' 110' ' ' LEU . 1.9 t-160 -56.9 -34.29 67.76 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 177.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 101' ' ' ALA . . . . . 0.812 ' HB3' ' O ' ' B' ' 98' ' ' GLU . . . -55.44 -44.94 76.81 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.432 -1.258 . . . . 0.0 111.667 179.255 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 102' ' ' LEU . . . . . 0.689 HD12 HG23 ' B' ' 103' ' ' THR . 0.3 OUTLIER -117.03 21.51 13.18 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -177.661 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 103' ' ' THR . . . . . 0.689 HG23 HD12 ' B' ' 102' ' ' LEU . 28.4 p -140.32 -5.74 1.23 Allowed 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 179.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 45.9 26.7 0.41 Allowed 'General case' 0 CA--C 1.528 0.133 0 CA-C-O 120.851 0.358 . . . . 0.0 111.061 -179.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 105' ' ' SER . . . . . 0.449 ' HB3' ' CE1' ' A' ' 21' ' ' TYR . 0.0 OUTLIER -50.54 -83.03 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.991 179.906 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 165.36 105.3 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.286 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -47.3 -34.91 7.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.881 0.372 . . . . 0.0 110.836 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 9.8 tptm -63.1 -47.59 82.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.105 0.479 . . . . 0.0 109.836 179.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 109' ' ' ASP . . . . . 0.691 ' O ' HD12 ' B' ' 113' ' ' LEU . 56.4 m-20 -65.19 -37.36 87.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.85 178.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 110' ' ' LEU . . . . . 0.857 HD11 ' HB2' ' B' ' 100' ' ' HIS . 29.6 mt -59.89 -41.49 91.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.152 179.15 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 111' ' ' ASP . . . . . 0.428 ' HA ' ' HD2' ' B' ' 114' ' ' HIS . 0.6 OUTLIER -64.22 -42.1 96.73 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.708 179.851 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -58.42 -37.33 75.15 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.253 179.595 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 113' ' ' LEU . . . . . 0.691 HD12 ' O ' ' B' ' 109' ' ' ASP . 0.5 OUTLIER -76.62 -29.28 56.42 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.739 179.764 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 114' ' ' HIS . . . . . 0.742 ' HA ' HD21 ' B' ' 93' ' ' LEU . 0.0 OUTLIER -62.86 -33.99 76.41 Favored 'General case' 0 CA--C 1.519 -0.249 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 178.526 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 28.5 t -75.98 -38.97 56.87 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 178.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 116' ' ' VAL . . . . . 0.823 HG11 ' CB ' ' A' ' 14' ' ' ALA . 25.4 t -61.72 -23.55 31.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.799 178.429 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 117' ' ' PHE . . . . . 0.649 ' CD1' HG13 ' B' ' 89' ' ' VAL . 21.9 m-85 -100.39 -31.47 11.3 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.442 -179.648 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 118' ' ' GLN . . . . . 0.481 ' NE2' HD11 ' B' ' 93' ' ' LEU . 0.0 OUTLIER -67.34 -29.34 68.86 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 111.93 0.345 . . . . 0.0 111.93 -178.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 119' ' ' ASP . . . . . 0.41 ' HB3' ' HB2' ' B' ' 122' ' ' LEU . 0.4 OUTLIER -43.89 117.75 1.27 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.899 0.381 . . . . 0.0 111.623 -179.306 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -60.78 -44.59 96.6 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.84 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 20.9 m170 -55.45 -33.31 63.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.638 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . 0.807 HD22 ' O ' ' B' ' 116' ' ' VAL . 25.7 tp -55.46 -48.65 74.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.762 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 123' ' ' HIS . . . . . 0.942 ' HA ' HD12 ' B' ' 126' ' ' LEU . 0.0 OUTLIER -55.34 -25.78 36.91 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 179.206 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 124' ' ' THR . . . . . 0.659 HG21 HG23 ' A' ' 61' ' ' VAL . 1.4 m -74.85 -37.74 62.15 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.475 178.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . 0.852 HD13 HG12 ' A' ' 53' ' ' ILE . 2.1 mt -73.1 -31.99 64.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.499 178.62 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . 0.942 HD12 ' HA ' ' B' ' 123' ' ' HIS . 5.7 mt -73.23 -50.44 22.41 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.648 179.705 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -65.43 -42.84 92.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.226 179.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . 0.907 HD21 ' CD2' ' C' ' 59' ' ' TYR . 80.5 mt -68.49 -33.03 73.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.209 179.348 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 129' ' ' TYR . . . . . 0.55 ' HE1' ' HG ' ' A' ' 46' ' ' SER . 4.5 t80 -58.64 -52.73 64.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.77 -179.618 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 130' ' ' ASP . . . . . 0.419 ' OD2' ' HB2' ' B' ' 82' ' ' LEU . 0.3 OUTLIER -76.74 -26.58 54.75 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.831 -0.347 . . . . 0.0 111.259 179.589 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 131' ' ' LYS . . . . . 0.415 ' HB2' ' HA ' ' B' ' 128' ' ' LEU . 2.1 mmmp? -54.99 -54.05 47.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.634 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 132' ' ' ILE . . . . . 0.758 HD12 ' O ' ' B' ' 128' ' ' LEU . 1.9 mt -75.96 -38.64 36.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 133' ' ' ASN . . . . . 0.529 ' HB2' HD23 ' A' ' 48' ' ' LEU . 27.9 t30 -64.18 -32.03 73.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 67.5 m -84.61 -18.71 34.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.546 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.63 -69.19 0.29 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.945 0.402 . . . . 0.0 110.441 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.713 179.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 7' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 1.6 tttm -61.14 -40.37 93.57 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 121.186 0.517 . . . . 0.0 109.741 179.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -75.45 -29.67 59.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.284 179.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 10' ' ' ASP . . . . . 0.703 ' HB3' HG22 ' D' ' 116' ' ' VAL . 77.2 m-20 -77.54 -29.91 52.53 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.612 179.667 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 11' ' ' THR . . . . . 0.691 HG22 ' HE1' ' C' ' 44' ' ' PHE . 1.1 p -73.72 -44.3 56.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.42 179.601 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 12' ' ' GLN . . . . . 0.57 ' HA ' HD23 ' C' ' 15' ' ' LEU . 0.4 OUTLIER -68.28 -39.36 82.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.424 179.581 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 6.0 tpp85 -74.22 -25.12 59.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.156 179.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 14' ' ' ALA . . . . . 0.799 ' CB ' HG11 ' D' ' 116' ' ' VAL . . . -78.61 -48.4 15.19 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.155 179.22 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 15' ' ' LEU . . . . . 0.776 HD22 ' HB3' ' C' ' 44' ' ' PHE . 0.4 OUTLIER -67.51 -26.38 66.32 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.831 179.78 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 16' ' ' HIS . . . . . 0.411 ' HB2' ' O ' ' C' ' 12' ' ' GLN . 3.9 t60 -73.54 -48.14 35.38 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 178.55 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . 0.937 HD22 ' CE1' ' C' ' 21' ' ' TYR . 1.3 mt -60.97 -37.87 83.95 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.461 -0.791 . . . . 0.0 109.466 178.625 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . 0.883 ' CD2' HG11 ' D' ' 92' ' ' VAL . 23.7 mt -60.55 -50.38 73.76 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.845 -1.071 . . . . 0.0 110.822 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 19' ' ' GLU . . . . . 0.424 ' O ' ' CG ' ' C' ' 22' ' ' ARG . 0.8 OUTLIER -57.87 -36.41 72.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.682 179.942 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 20' ' ' GLU . . . . . 0.504 ' O ' ' HG3' ' C' ' 24' ' ' LYS . 3.2 mt-10 -71.86 -36.61 70.17 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.028 179.529 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 21' ' ' TYR . . . . . 0.937 ' CE1' HD22 ' C' ' 17' ' ' LEU . 7.6 m-30 -64.4 -49.17 72.61 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.461 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 22' ' ' ARG . . . . . 0.439 ' HB2' ' CG ' ' C' ' 34' ' ' ARG . 0.4 OUTLIER -55.85 -42.74 76.28 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 120.801 0.334 . . . . 0.0 110.462 179.28 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 23' ' ' SER . . . . . 0.427 ' O ' ' HG3' ' C' ' 27' ' ' GLN . 1.5 m -63.25 -29.43 70.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.415 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 24' ' ' LYS . . . . . 0.504 ' HG3' ' O ' ' C' ' 20' ' ' GLU . 0.0 OUTLIER -119.64 22.81 11.48 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-O 120.82 0.343 . . . . 0.0 111.391 -179.88 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 25' ' ' LEU . . . . . 0.747 HD23 HD13 ' D' ' 102' ' ' LEU . 0.0 OUTLIER -126.63 -62.52 1.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.778 -179.561 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . 0.467 ' HB2' ' CD ' ' C' ' 34' ' ' ARG . 30.8 m -69.27 -13.64 62.5 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.435 -178.352 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 27' ' ' GLN . . . . . 0.427 ' HG3' ' O ' ' C' ' 23' ' ' SER . 2.4 mm-40 -83.07 56.71 3.59 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.853 0.358 . . . . 0.0 110.718 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 28' ' ' THR . . . . . 0.456 ' CG2' ' N ' ' C' ' 29' ' ' GLU . 1.6 t -171.61 -50.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.325 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 29' ' ' GLU . . . . . 0.456 ' N ' ' CG2' ' C' ' 28' ' ' THR . 18.9 pt-20 -172.69 27.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.695 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -139.65 48.93 1.81 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.865 0.364 . . . . 0.0 111.403 -179.736 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . 0.416 ' NH1' ' OE1' ' C' ' 27' ' ' GLN . 1.0 OUTLIER -59.13 -51.74 68.73 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 121.075 0.464 . . . . 0.0 110.356 179.528 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -55.02 -45.31 75.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.252 0.548 . . . . 0.0 109.7 178.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 33' ' ' LEU . . . . . 0.508 ' CD2' HD11 ' C' ' 25' ' ' LEU . 3.5 tp -54.97 -33.66 62.6 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.899 178.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 34' ' ' ARG . . . . . 0.467 ' CD ' ' HB2' ' C' ' 26' ' ' SER . 2.0 ttp180 -60.47 -48.78 80.25 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.361 178.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 47.2 t -55.35 -37.12 67.06 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.86 -1.064 . . . . 0.0 110.781 179.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 36' ' ' SER . . . . . 0.477 ' HB3' HE21 ' D' ' 91' ' ' GLN . 66.4 m -67.92 -51.86 42.9 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.977 0.418 . . . . 0.0 110.354 179.564 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 37' ' ' ILE . . . . . 0.668 ' O ' HG12 ' C' ' 41' ' ' ILE . 63.6 mt -58.47 -38.44 70.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.273 0.559 . . . . 0.0 109.526 178.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -59.3 -52.45 65.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 114.98 -1.009 . . . . 0.0 111.97 -179.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 39' ' ' ARG . . . . . 0.69 ' HG3' ' HB1' ' D' ' 88' ' ' ALA . 3.9 ptp180 -57.1 -41.38 78.82 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.316 -0.554 . . . . 0.0 110.001 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . 0.63 HG12 ' CD2' ' C' ' 44' ' ' PHE . 66.4 t -60.98 -31.61 50.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.482 -0.327 . . . . 0.0 110.285 178.419 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 41' ' ' ILE . . . . . 0.725 HD11 ' CB ' ' C' ' 18' ' ' LEU . 20.0 mm -68.23 -61.16 1.8 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.883 179.476 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 48.0 t -55.41 -46.5 76.63 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-O 121.114 0.483 . . . . 0.0 110.455 -179.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 43' ' ' ILE . . . . . 0.464 HG23 ' CE2' ' D' ' 129' ' ' TYR . 8.8 mt -59.99 -33.19 52.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.838 178.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 44' ' ' PHE . . . . . 0.776 ' HB3' HD22 ' C' ' 15' ' ' LEU . 0.3 OUTLIER -71.99 -59.0 2.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.451 179.753 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 45' ' ' GLN . . . . . 0.406 ' HG2' ' O ' ' C' ' 41' ' ' ILE . 5.4 pt20 -75.47 -4.18 38.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.863 -179.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 46' ' ' SER . . . . . 0.411 ' OG ' ' CZ ' ' D' ' 129' ' ' TYR . 0.3 OUTLIER -47.98 137.51 10.08 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.924 0.392 . . . . 0.0 111.17 -179.865 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.12 -39.27 81.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.287 -179.724 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . 0.749 ' O ' HD12 ' C' ' 48' ' ' LEU . 2.6 tp -75.38 -45.36 39.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.073 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 49' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -51.17 -53.48 34.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.722 0.296 . . . . 0.0 111.141 -179.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 50' ' ' GLN . . . . . 0.538 ' OE1' HD12 ' C' ' 53' ' ' ILE . 20.7 mm-40 -57.35 -38.66 74.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.595 179.53 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.79 -43.1 90.4 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.06 0.457 . . . . 0.0 110.304 179.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 1.9 mt -61.46 -44.22 97.49 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.076 179.198 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 53' ' ' ILE . . . . . 0.538 HD12 ' OE1' ' C' ' 50' ' ' GLN . 45.3 mt -54.69 -40.07 49.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.674 179.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -66.44 -38.76 88.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.232 179.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 55' ' ' ILE . . . . . 0.735 HG22 ' HB2' ' C' ' 59' ' ' TYR . 69.0 mt -59.14 -46.0 92.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.547 179.409 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 56' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -52.06 -24.48 6.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.468 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 57' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -48.83 -30.4 5.71 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.277 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 58' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -155.95 25.19 0.38 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.56 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 59' ' ' TYR . . . . . 0.907 ' CD2' HD21 ' B' ' 128' ' ' LEU . 42.7 m-85 -134.89 72.83 1.46 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.255 179.502 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 60' ' ' GLU . . . . . 0.413 ' HG3' HD21 ' A' ' 64' ' ' LEU . 28.4 mt-10 -60.43 99.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.017 -179.447 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 61' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -72.68 96.68 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.984 0.421 . . . . 0.0 110.296 179.568 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 62' ' ' THR . . . . . 0.402 ' HB ' ' HB2' ' A' ' 60' ' ' GLU . 3.5 m -82.36 120.14 25.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.121 -179.574 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 63' ' ' LEU . . . . . 0.84 HD11 ' CE2' ' A' ' 59' ' ' TYR . 0.9 OUTLIER -89.87 124.51 34.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.139 179.333 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 64' ' ' LEU . . . . . 0.664 HD23 ' N ' ' C' ' 64' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.256 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 82' ' ' LEU . . . . . 0.602 HD12 ' N ' ' D' ' 82' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 83' ' ' LEU . . . . . 0.977 HD23 ' H ' ' D' ' 84' ' ' ALA . 0.4 OUTLIER -75.23 -44.92 43.46 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.881 179.876 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' D' D ' 84' ' ' ALA . . . . . 0.977 ' H ' HD23 ' D' ' 83' ' ' LEU . . . -82.51 -21.08 35.61 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.996 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 85' ' ' ALA . . . . . 0.882 ' HB1' ' HB2' ' D' ' 126' ' ' LEU . . . -52.02 -26.09 9.98 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-O 121.142 0.496 . . . . 0.0 110.179 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 86' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -124.93 -33.36 2.93 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.094 178.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 87' ' ' ARG . . . . . 0.727 ' HB3' ' O ' ' D' ' 83' ' ' LEU . 26.9 ttt180 -69.15 -53.5 19.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.664 178.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 88' ' ' ALA . . . . . 0.938 ' HB2' ' HB1' ' D' ' 84' ' ' ALA . . . -57.92 -42.51 84.94 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.783 179.489 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 89' ' ' VAL . . . . . 0.813 HG13 ' CD1' ' D' ' 117' ' ' PHE . 44.0 t -72.58 -56.12 10.89 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.515 179.486 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 90' ' ' SER . . . . . 0.409 ' HA ' ' HB2' ' D' ' 93' ' ' LEU . 63.5 m -58.8 -25.01 62.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.319 179.103 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 91' ' ' GLN . . . . . 0.477 HE21 ' HB3' ' C' ' 36' ' ' SER . 8.2 mt-30 -66.77 -58.08 5.78 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.773 179.323 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 92' ' ' VAL . . . . . 0.883 HG11 ' CD2' ' C' ' 18' ' ' LEU . 16.9 t -67.76 -27.95 39.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.877 179.277 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 93' ' ' LEU . . . . . 0.718 HD21 ' HA ' ' D' ' 114' ' ' HIS . 2.5 mt -66.34 -33.54 75.96 Favored 'General case' 0 N--CA 1.456 -0.164 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.9 179.252 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -88.16 -30.68 19.61 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.059 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 95' ' ' SER . . . . . 0.489 ' CB ' HD11 ' C' ' 33' ' ' LEU . 0.3 OUTLIER -79.79 -25.17 41.0 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.887 -179.516 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' D' D ' 96' ' ' LEU . . . . . 0.792 HD22 ' CD2' ' D' ' 110' ' ' LEU . 0.2 OUTLIER -41.46 -52.25 3.65 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.011 0.434 . . . . 0.0 111.917 -179.26 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -61.97 -32.54 73.0 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.969 0.414 . . . . 0.0 110.657 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 98' ' ' GLU . . . . . 0.766 ' O ' ' HB3' ' D' ' 101' ' ' ALA . 0.0 OUTLIER -70.76 -37.35 73.38 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 177.935 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' D' D ' 99' ' ' ILE . . . . . 0.646 HD12 HD23 ' D' ' 96' ' ' LEU . 18.8 mt -57.85 -47.93 85.04 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.657 0 CA-C-N 114.464 -1.244 . . . . 0.0 109.685 178.461 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 100' ' ' HIS . . . . . 0.714 ' HB2' HD11 ' D' ' 110' ' ' LEU . 9.5 t-160 -55.96 -41.3 74.51 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-O 122.008 0.909 . . . . 0.0 108.721 178.229 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 101' ' ' ALA . . . . . 0.766 ' HB3' ' O ' ' D' ' 98' ' ' GLU . . . -51.58 -41.11 60.94 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 113.918 -1.492 . . . . 0.0 111.893 179.456 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 102' ' ' LEU . . . . . 0.747 HD13 HD23 ' C' ' 25' ' ' LEU . 0.4 OUTLIER -123.69 35.94 4.74 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 113.183 0.809 . . . . 0.0 113.183 -177.437 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' D' D ' 103' ' ' THR . . . . . 0.638 HG23 HD12 ' D' ' 102' ' ' LEU . 43.3 p -152.99 -37.66 0.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.602 -0.439 . . . . 0.0 111.931 179.502 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 5.3 t0 73.44 30.41 1.49 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.088 0.471 . . . . 0.0 109.899 -178.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 105' ' ' SER . . . . . 0.401 ' O ' ' CB ' ' D' ' 106' ' ' SER . 2.7 m -61.05 -8.62 3.46 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.829 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 106' ' ' SER . . . . . 0.401 ' CB ' ' O ' ' D' ' 105' ' ' SER . 0.3 OUTLIER 78.36 122.79 0.05 OUTLIER 'General case' 0 C--O 1.232 0.176 0 CA-C-O 120.764 0.316 . . . . 0.0 110.604 -179.625 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' D' D ' 107' ' ' GLU . . . . . 0.573 ' HA ' HD12 ' D' ' 110' ' ' LEU . 5.6 mt-10 -55.16 -22.45 17.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.2 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 9.1 mptt -60.98 -55.24 35.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.992 0.425 . . . . 0.0 110.178 179.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 109' ' ' ASP . . . . . 0.766 ' O ' HD12 ' D' ' 113' ' ' LEU . 12.4 m-20 -64.67 -33.36 75.76 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.855 178.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 110' ' ' LEU . . . . . 0.792 ' CD2' HD22 ' D' ' 96' ' ' LEU . 95.8 mt -66.19 -41.53 90.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.328 179.378 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 111' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.77 -42.88 99.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.669 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 112' ' ' PHE . . . . . 0.623 ' O ' HG23 ' D' ' 116' ' ' VAL . 2.0 t80 -62.01 -42.91 99.67 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.759 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 113' ' ' LEU . . . . . 0.766 HD12 ' O ' ' D' ' 109' ' ' ASP . 0.5 OUTLIER -73.0 -38.46 66.61 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.792 -179.87 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' D' D ' 114' ' ' HIS . . . . . 0.734 ' CD2' HD12 ' D' ' 96' ' ' LEU . 35.6 m80 -56.36 -34.62 66.81 Favored 'General case' 0 CA--C 1.519 -0.229 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 178.295 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 115' ' ' SER . . . . . . . . . . . . . 30.6 t -75.35 -38.09 60.29 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 178.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 116' ' ' VAL . . . . . 0.862 ' O ' HD22 ' D' ' 122' ' ' LEU . 42.4 t -57.17 -23.47 18.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.768 178.258 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 117' ' ' PHE . . . . . 0.813 ' CD1' HG13 ' D' ' 89' ' ' VAL . 38.1 m-85 -102.88 -38.81 7.23 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.497 -179.717 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 118' ' ' GLN . . . . . 0.415 ' NE2' ' O ' ' D' ' 114' ' ' HIS . 0.0 OUTLIER -56.34 -29.48 61.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.678 -178.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -44.84 127.5 6.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.708 -179.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 120' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -70.41 -50.52 37.66 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.662 179.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 121' ' ' HIS . . . . . . . . . . . . . 37.3 m-70 -55.61 -33.27 63.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.354 179.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 122' ' ' LEU . . . . . 0.862 HD22 ' O ' ' D' ' 116' ' ' VAL . 21.1 tp -55.32 -50.16 70.31 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.991 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 123' ' ' HIS . . . . . 0.598 ' HA ' ' CD1' ' D' ' 126' ' ' LEU . 30.7 m170 -49.95 -29.22 8.0 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 121.129 0.49 . . . . 0.0 110.143 178.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 124' ' ' THR . . . . . 0.663 HG22 HD11 ' D' ' 128' ' ' LEU . 2.8 m -72.69 -36.67 67.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.772 179.186 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 125' ' ' LEU . . . . . 0.618 HD12 HD12 ' D' ' 122' ' ' LEU . 14.3 mt -63.23 -46.56 86.4 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.089 179.664 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 126' ' ' LEU . . . . . 0.882 ' HB2' ' HB1' ' D' ' 85' ' ' ALA . 1.3 mp -65.48 -41.08 93.69 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.012 -179.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 127' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -63.53 -44.95 92.73 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.267 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 128' ' ' LEU . . . . . 0.663 HD11 HG22 ' D' ' 124' ' ' THR . 7.0 mt -72.18 -40.62 67.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.349 -179.564 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 129' ' ' TYR . . . . . 0.511 ' O ' HD23 ' C' ' 48' ' ' LEU . 0.3 OUTLIER -55.64 -51.52 66.94 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.06 -179.33 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' D' D ' 130' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -75.83 -26.63 57.36 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.117 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 131' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.47 -51.69 61.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.763 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 132' ' ' ILE . . . . . 0.655 ' HB ' HD21 ' C' ' 48' ' ' LEU . 2.6 mt -71.44 -36.73 61.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 CA-C-O 121.068 0.461 . . . . 0.0 110.584 179.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 133' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 . . . . . 0 N--CA 1.451 -0.392 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.977 -179.775 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 5.4 mtm-85 . . . . . 0 N--CA 1.455 -0.223 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.3 tptm -63.34 -38.92 93.03 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 179.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 59.0 mm-40 -74.51 -28.37 60.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.072 179.078 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.598 ' HB3' HG22 ' B' ' 116' ' ' VAL . 69.6 m-20 -79.35 -32.45 43.24 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.552 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.651 HG22 ' HE1' ' A' ' 44' ' ' PHE . 0.9 OUTLIER -72.29 -38.46 68.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.342 179.525 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.411 ' HA ' HD23 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -70.77 -45.3 65.01 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.521 179.481 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.441 ' HB3' ' CZ ' ' B' ' 112' ' ' PHE . 0.0 OUTLIER -67.4 -26.12 66.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.006 179.33 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.888 ' CB ' HG11 ' B' ' 116' ' ' VAL . . . -78.75 -54.22 6.31 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.548 178.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.774 HD22 ' HB3' ' A' ' 44' ' ' PHE . 0.3 OUTLIER -64.98 -27.43 68.83 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.548 179.463 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.405 ' CG ' ' O ' ' A' ' 12' ' ' GLN . 13.3 m170 -72.58 -46.92 51.95 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 178.627 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.882 HD22 ' CZ ' ' A' ' 21' ' ' TYR . 1.5 mt -61.16 -37.92 84.61 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.295 178.595 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.937 ' CD2' HG11 ' B' ' 92' ' ' VAL . 36.5 mt -63.06 -43.19 99.28 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 114.859 -1.064 . . . . 0.0 110.681 179.579 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.432 ' CG ' HG21 ' A' ' 41' ' ' ILE . 12.8 mm-40 -60.43 -38.63 84.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.864 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 0.8 OUTLIER -75.12 -37.28 61.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.472 -179.93 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.882 ' CZ ' HD22 ' A' ' 17' ' ' LEU . 17.3 m-85 -67.32 -47.68 69.81 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.404 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.477 ' HG3' ' N ' ' A' ' 23' ' ' SER . 1.5 ptm180 -58.12 -45.09 87.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.307 179.333 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.477 ' N ' ' HG3' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -56.74 -37.28 70.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.467 179.452 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.678 ' HE2' HG22 ' B' ' 103' ' ' THR . 0.0 OUTLIER -104.04 11.47 35.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.568 179.875 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.893 HD12 HD11 ' A' ' 37' ' ' ILE . 0.1 OUTLIER -97.48 -51.15 4.25 Favored 'General case' 0 C--N 1.333 -0.124 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -179.447 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.7 ' HB2' ' HA ' ' A' ' 31' ' ' ARG . 52.9 p -68.42 -31.13 70.24 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -178.231 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.403 ' OE1' ' OG ' ' A' ' 26' ' ' SER . 0.7 OUTLIER -68.52 57.04 0.08 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.882 0.372 . . . . 0.0 111.422 -178.754 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.679 HG23 ' H ' ' A' ' 29' ' ' GLU . 8.6 t -176.57 -61.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.668 179.536 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.679 ' H ' HG23 ' A' ' 28' ' ' THR . 16.4 pt-20 -176.56 28.64 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.814 -179.338 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.416 ' HB2' HD22 ' A' ' 25' ' ' LEU . 13.8 m-20 -137.8 46.08 2.11 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.011 0.434 . . . . 0.0 110.58 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.7 ' HA ' ' HB2' ' A' ' 26' ' ' SER . 0.0 OUTLIER -63.05 -55.24 27.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.181 -179.52 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 44.7 tp60 -53.05 -44.73 67.67 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.407 0.622 . . . . 0.0 109.562 178.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.813 HD21 ' HB3' ' B' ' 95' ' ' SER . 7.7 tp -57.1 -34.66 68.55 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.122 178.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.687 ' HB2' ' HB3' ' A' ' 26' ' ' SER . 2.0 ttt180 -60.36 -43.5 96.45 Favored 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 178.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 28.9 m -55.61 -40.59 72.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.285 -0.871 . . . . 0.0 109.737 178.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.498 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.7 OUTLIER -64.09 -51.3 64.67 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.378 179.144 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.893 HD11 HD12 ' A' ' 25' ' ' LEU . 34.6 mt -58.32 -37.65 64.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.187 0.517 . . . . 0.0 109.657 178.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.75 -52.63 63.46 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.546 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.643 ' HG3' ' HB1' ' B' ' 88' ' ' ALA . 4.2 ptp85 -55.63 -34.59 65.06 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.627 -0.429 . . . . 0.0 109.867 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.71 HG12 ' CD2' ' A' ' 44' ' ' PHE . 59.0 t -67.21 -33.12 60.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 109.603 -0.518 . . . . 0.0 109.603 178.091 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.654 HD11 ' HB3' ' A' ' 18' ' ' LEU . 14.7 mm -65.82 -61.04 1.88 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.15 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.403 179.436 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.9 t -56.48 -47.04 80.07 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-O 120.964 0.411 . . . . 0.0 110.624 -179.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.429 ' O ' ' CG ' ' A' ' 49' ' ' PHE . 15.5 mt -60.0 -33.47 53.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.89 179.137 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.774 ' HB3' HD22 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -72.11 -59.23 2.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.567 179.622 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -77.32 -3.0 37.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.867 -179.031 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.467 ' CB ' ' CE1' ' B' ' 129' ' ' TYR . 0.6 OUTLIER -47.33 137.74 8.06 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.813 0.34 . . . . 0.0 111.364 -179.755 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -58.66 -34.74 71.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.941 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.757 ' O ' HD12 ' A' ' 48' ' ' LEU . 1.9 tp -79.02 -45.83 19.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.834 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.735 ' HE1' HD11 ' A' ' 53' ' ' ILE . 19.5 t80 -51.44 -50.79 59.05 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.828 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -60.25 -34.45 73.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.069 179.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.493 ' HB3' ' O ' ' A' ' 48' ' ' LEU . . . -58.99 -45.68 90.02 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.3 179.312 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.517 HD13 ' O ' ' B' ' 125' ' ' LEU . 1.0 OUTLIER -60.82 -44.06 97.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.269 179.305 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.735 HD11 ' HE1' ' A' ' 49' ' ' PHE . 42.5 mt -54.38 -38.86 41.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.621 179.42 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -69.81 -35.62 74.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.472 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.73 HG22 ' HB2' ' A' ' 59' ' ' TYR . 60.5 mt -59.24 -38.81 76.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.687 179.617 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -53.26 -23.49 9.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.679 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.408 ' O ' ' CD1' ' A' ' 58' ' ' PHE . 14.8 mm-40 -48.87 -33.33 10.45 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.629 -0.259 . . . . 0.0 111.537 -179.49 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.408 ' CD1' ' O ' ' A' ' 57' ' ' GLU . 11.6 m-85 -154.88 29.86 0.41 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.791 0.329 . . . . 0.0 111.793 -179.737 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.783 ' CE2' HD21 ' D' ' 128' ' ' LEU . 66.5 m-85 -137.5 121.72 18.04 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.433 179.392 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.422 ' HB2' ' HB ' ' C' ' 62' ' ' THR . 0.4 OUTLIER -104.4 94.48 5.36 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.899 -179.909 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.408 ' CG2' HG21 ' B' ' 124' ' ' THR . 0.0 OUTLIER -72.75 97.99 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.972 0.415 . . . . 0.0 110.879 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.409 ' HB ' ' HB2' ' C' ' 60' ' ' GLU . 3.0 m -86.37 113.15 22.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.785 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.427 HD11 ' OH ' ' C' ' 59' ' ' TYR . 0.2 OUTLIER -87.55 125.0 34.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.665 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.66 ' N ' HD23 ' A' ' 64' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.239 -179.724 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . 0.822 ' N ' HD23 ' B' ' 82' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . 1.018 HD23 ' H ' ' B' ' 84' ' ' ALA . 0.2 OUTLIER -63.03 -51.92 64.88 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.561 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 1.018 ' H ' HD23 ' B' ' 83' ' ' LEU . . . -77.73 -20.92 52.68 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.538 -0.756 . . . . 0.0 111.497 -179.337 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 85' ' ' ALA . . . . . 0.869 ' HB1' ' HB2' ' B' ' 126' ' ' LEU . . . -52.07 -24.34 6.67 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.283 0.563 . . . . 0.0 109.865 179.255 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -127.11 -38.18 2.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.867 178.514 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 87' ' ' ARG . . . . . 0.76 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 29.8 ttt85 -66.9 -37.76 84.99 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.633 179.394 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . 0.915 ' HB2' ' HB1' ' B' ' 84' ' ' ALA . . . -72.2 -46.11 57.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.716 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 89' ' ' VAL . . . . . 0.599 HG12 ' HB3' ' B' ' 117' ' ' PHE . 26.2 t -69.75 -37.66 74.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.241 179.132 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 90' ' ' SER . . . . . 0.426 ' HA ' ' HB2' ' B' ' 93' ' ' LEU . 73.3 m -73.5 -23.75 60.09 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.421 179.182 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 91' ' ' GLN . . . . . 0.433 ' NE2' ' HG2' ' B' ' 87' ' ' ARG . 5.3 mt-30 -68.71 -54.72 14.45 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-O 121.208 0.528 . . . . 0.0 109.637 179.302 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 92' ' ' VAL . . . . . 0.937 HG11 ' CD2' ' A' ' 18' ' ' LEU . 4.7 t -68.65 -28.03 38.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.318 -0.856 . . . . 0.0 109.977 179.141 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 93' ' ' LEU . . . . . 0.703 HD21 ' HA ' ' B' ' 114' ' ' HIS . 2.9 mt -66.34 -35.79 81.26 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.893 179.504 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -85.87 -33.03 21.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.881 0.372 . . . . 0.0 111.079 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 95' ' ' SER . . . . . 0.813 ' HB3' HD21 ' A' ' 33' ' ' LEU . 3.2 m -80.04 -21.6 43.31 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.045 -0.525 . . . . 0.0 112.015 -179.582 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . 0.82 HD22 ' CD2' ' B' ' 110' ' ' LEU . 0.2 OUTLIER -41.29 -48.42 3.6 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.028 0.442 . . . . 0.0 111.99 -179.462 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -64.49 -33.55 76.15 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.981 -179.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . 0.81 ' OE2' HD21 ' B' ' 102' ' ' LEU . 0.0 OUTLIER -70.0 -40.14 75.46 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 178.386 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 99' ' ' ILE . . . . . 0.632 HG23 HG21 ' B' ' 103' ' ' THR . 40.3 mt -54.78 -49.55 68.14 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.701 0 CA-C-N 114.772 -1.104 . . . . 0.0 109.939 178.367 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 100' ' ' HIS . . . . . 0.898 ' HB2' HD11 ' B' ' 110' ' ' LEU . 12.2 t-160 -54.86 -40.95 70.21 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-O 121.982 0.896 . . . . 0.0 108.736 178.426 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 101' ' ' ALA . . . . . 0.781 ' HB3' ' O ' ' B' ' 98' ' ' GLU . . . -53.49 -39.32 64.46 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 113.81 -1.541 . . . . 0.0 112.105 179.615 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 102' ' ' LEU . . . . . 0.81 HD21 ' OE2' ' B' ' 98' ' ' GLU . 0.4 OUTLIER -126.0 27.6 6.29 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -177.14 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 103' ' ' THR . . . . . 0.692 HG23 HD12 ' B' ' 102' ' ' LEU . 43.0 p -143.71 -26.59 0.55 Allowed 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 179.524 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 20.5 t0 66.71 25.93 9.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.071 0.462 . . . . 0.0 110.252 -179.305 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 105' ' ' SER . . . . . 0.477 ' HB3' ' CE1' ' A' ' 21' ' ' TYR . 53.0 p -56.12 -22.06 26.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.386 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 106' ' ' SER . . . . . 0.442 ' CB ' ' O ' ' B' ' 105' ' ' SER . 2.2 t 84.05 130.31 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.428 -179.343 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . 0.645 ' HA ' HD12 ' B' ' 110' ' ' LEU . 3.3 tt0 -58.81 -19.19 38.94 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.43 -179.492 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -65.8 -55.51 16.78 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.965 0.412 . . . . 0.0 110.22 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 109' ' ' ASP . . . . . 0.699 ' O ' HD12 ' B' ' 113' ' ' LEU . 8.2 m-20 -62.93 -35.99 81.92 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.371 -0.604 . . . . 0.0 109.371 178.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 110' ' ' LEU . . . . . 0.898 HD11 ' HB2' ' B' ' 100' ' ' HIS . 93.6 mt -62.29 -50.45 71.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.029 179.191 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -53.8 -40.83 66.66 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.843 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 112' ' ' PHE . . . . . 0.789 ' O ' HG23 ' B' ' 116' ' ' VAL . 1.7 t80 -64.59 -37.43 87.55 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.844 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 113' ' ' LEU . . . . . 0.699 HD12 ' O ' ' B' ' 109' ' ' ASP . 0.5 OUTLIER -79.07 -33.05 44.95 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.744 -0.382 . . . . 0.0 111.222 -179.78 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 114' ' ' HIS . . . . . 0.777 ' CE1' HD12 ' B' ' 96' ' ' LEU . 99.3 m-70 -62.42 -34.19 76.28 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 177.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . 0.422 ' HA ' ' HB2' ' B' ' 118' ' ' GLN . 0.7 OUTLIER -74.6 -40.3 61.66 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.134 178.646 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 116' ' ' VAL . . . . . 0.888 HG11 ' CB ' ' A' ' 14' ' ' ALA . 50.9 t -60.37 -23.33 27.68 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.907 178.424 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 117' ' ' PHE . . . . . 0.691 ' CZ ' HD11 ' A' ' 18' ' ' LEU . 7.5 m-30 -105.59 -20.87 13.33 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.534 -179.687 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 118' ' ' GLN . . . . . 0.425 ' NE2' HD11 ' B' ' 93' ' ' LEU . 0.0 OUTLIER -72.97 -30.69 64.02 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.742 0.306 . . . . 0.0 111.276 -179.655 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -42.93 130.16 4.33 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.794 -179.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -71.15 -48.69 50.43 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.671 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -55.87 -33.85 64.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.37 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . 0.823 HD22 ' O ' ' B' ' 116' ' ' VAL . 39.9 tp -55.67 -49.25 73.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 109.916 179.566 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 123' ' ' HIS . . . . . 0.808 ' HA ' HD12 ' B' ' 126' ' ' LEU . 23.4 m170 -52.11 -27.41 14.04 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.184 179.04 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 124' ' ' THR . . . . . 0.434 HG22 HD11 ' B' ' 128' ' ' LEU . 7.2 m -77.02 -32.67 57.25 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.019 179.291 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . 0.771 HD12 HD12 ' B' ' 122' ' ' LEU . 20.5 mt -65.86 -41.34 91.78 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.991 179.724 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . 0.869 ' HB2' ' HB1' ' B' ' 85' ' ' ALA . 0.4 OUTLIER -73.05 -45.14 59.18 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.265 -179.705 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.03 -46.55 82.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.932 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . 0.881 HD21 ' CD2' ' C' ' 59' ' ' TYR . 21.9 mt -70.83 -43.61 68.19 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.152 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 129' ' ' TYR . . . . . 0.467 ' CE1' ' CB ' ' A' ' 46' ' ' SER . 0.2 OUTLIER -55.72 -51.63 66.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.125 -179.518 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 130' ' ' ASP . . . . . 0.601 ' HB3' HD23 ' B' ' 82' ' ' LEU . 25.2 m-20 -76.11 -21.77 56.28 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.268 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 131' ' ' LYS . . . . . 0.503 ' HG2' HD13 ' B' ' 82' ' ' LEU . 8.0 mmtt -70.51 -46.07 64.4 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.803 0.335 . . . . 0.0 110.859 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 132' ' ' ILE . . . . . 0.565 HD12 ' O ' ' B' ' 128' ' ' LEU . 2.7 mt -74.97 -37.94 42.25 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 CA-C-O 120.99 0.424 . . . . 0.0 110.94 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 133' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -63.77 -28.68 70.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.052 -179.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 134' ' ' THR . . . . . 0.556 HG22 ' O ' ' B' ' 134' ' ' THR . 62.4 m -86.06 5.57 32.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.593 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.4 -40.89 4.77 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.967 0.413 . . . . 0.0 110.923 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.904 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 7' ' ' ARG . . . . . 0.46 ' HG3' HG23 ' C' ' 11' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 110.364 -0.236 . . . . 0.0 110.364 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 4.3 mmpt? -65.66 -32.6 74.26 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 121.047 0.451 . . . . 0.0 109.934 179.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 51.8 mm-40 -78.22 -30.81 49.03 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.746 178.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 10' ' ' ASP . . . . . 0.753 ' HB3' HG22 ' D' ' 116' ' ' VAL . 2.9 m-20 -81.29 -29.9 34.15 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.612 179.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 11' ' ' THR . . . . . 0.649 HG22 ' HE1' ' C' ' 44' ' ' PHE . 5.9 p -76.82 -37.23 56.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.248 179.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 12' ' ' GLN . . . . . 0.424 ' O ' ' CG ' ' C' ' 16' ' ' HIS . 0.8 OUTLIER -73.09 -41.92 63.56 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.189 179.399 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 16.0 ttt180 -72.21 -24.95 61.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.937 178.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 14' ' ' ALA . . . . . 0.821 ' CB ' HG11 ' D' ' 116' ' ' VAL . . . -78.65 -53.73 6.85 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.7 178.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 15' ' ' LEU . . . . . 0.795 HD22 ' HB3' ' C' ' 44' ' ' PHE . 0.4 OUTLIER -66.72 -24.64 66.26 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.654 179.551 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 16' ' ' HIS . . . . . 0.424 ' CG ' ' O ' ' C' ' 12' ' ' GLN . 15.2 m170 -73.33 -46.87 46.84 Favored 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 178.48 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . 0.953 HD22 ' CE1' ' C' ' 21' ' ' TYR . 1.4 mt -62.14 -37.58 85.69 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.176 178.45 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . 0.735 ' CB ' HD11 ' C' ' 41' ' ' ILE . 43.0 mt -61.38 -40.65 95.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.831 -1.077 . . . . 0.0 110.567 179.537 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -62.3 -47.74 82.96 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.635 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -70.67 -31.17 67.98 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.878 179.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 21' ' ' TYR . . . . . 0.953 ' CE1' HD22 ' C' ' 17' ' ' LEU . 5.8 m-30 -67.76 -46.74 71.2 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.5 179.595 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 22' ' ' ARG . . . . . 0.421 ' HG3' ' N ' ' C' ' 23' ' ' SER . 0.2 OUTLIER -62.21 -38.97 91.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.877 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 23' ' ' SER . . . . . 0.421 ' N ' ' HG3' ' C' ' 22' ' ' ARG . 0.3 OUTLIER -63.82 -38.55 91.53 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.781 179.932 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 24' ' ' LYS . . . . . . . . . . . . . 6.2 ptmt -90.39 -18.79 24.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.445 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 25' ' ' LEU . . . . . 0.911 HD12 HD11 ' C' ' 37' ' ' ILE . 0.2 OUTLIER -73.0 -65.26 0.82 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.087 0.47 . . . . 0.0 110.834 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . 0.508 ' HB3' ' HB2' ' C' ' 34' ' ' ARG . 4.0 p -60.85 -149.44 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.055 -179.665 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 27' ' ' GLN . . . . . 0.413 ' OE1' ' NH1' ' C' ' 31' ' ' ARG . 0.0 OUTLIER 47.7 27.86 1.15 Allowed 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.552 -0.294 . . . . 0.0 111.152 179.846 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 28' ' ' THR . . . . . 0.53 HG23 ' N ' ' C' ' 29' ' ' GLU . 6.4 t -150.8 -55.86 0.16 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.656 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 29' ' ' GLU . . . . . 0.53 ' N ' HG23 ' C' ' 28' ' ' THR . 13.2 pt-20 -177.59 26.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.648 -179.61 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -145.78 54.24 1.17 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.13 0.49 . . . . 0.0 110.854 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . 0.413 ' NH1' ' OE1' ' C' ' 27' ' ' GLN . 11.7 mmm180 -64.56 -46.47 82.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.135 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -58.34 -49.06 78.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.948 179.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 33' ' ' LEU . . . . . 0.78 HD21 ' HB3' ' D' ' 95' ' ' SER . 13.4 tp -54.01 -35.87 62.37 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.138 179.102 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 34' ' ' ARG . . . . . 0.508 ' HB2' ' HB3' ' C' ' 26' ' ' SER . 5.0 ttp180 -60.5 -42.29 96.05 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.284 178.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 29.7 t -60.83 -33.48 73.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.238 179.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 36' ' ' SER . . . . . 0.581 ' O ' HG23 ' C' ' 40' ' ' VAL . 67.5 m -68.27 -51.51 44.19 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 121.197 0.523 . . . . 0.0 110.329 179.439 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 37' ' ' ILE . . . . . 0.911 HD11 HD12 ' C' ' 25' ' ' LEU . 36.5 mt -58.81 -40.16 79.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.826 -0.624 . . . . 0.0 109.713 179.003 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.03 -52.06 65.48 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.982 -1.008 . . . . 0.0 112.031 -179.7 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 39' ' ' ARG . . . . . 0.64 ' HG3' ' HB1' ' D' ' 88' ' ' ALA . 6.5 ptp180 -57.25 -33.76 67.92 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.483 -0.487 . . . . 0.0 110.263 -179.627 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . 0.762 HG12 ' CD2' ' C' ' 44' ' ' PHE . 64.6 t -67.24 -34.95 72.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 178.282 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 41' ' ' ILE . . . . . 0.735 HD11 ' CB ' ' C' ' 18' ' ' LEU . 20.1 mm -61.37 -58.9 5.46 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.108 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.289 179.474 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 11.5 t -56.17 -47.89 77.42 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-O 120.978 0.418 . . . . 0.0 110.684 -179.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 43' ' ' ILE . . . . . 0.407 ' O ' ' CG ' ' C' ' 49' ' ' PHE . 21.4 mt -59.7 -32.65 49.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.84 178.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 44' ' ' PHE . . . . . 0.795 ' HB3' HD22 ' C' ' 15' ' ' LEU . 0.4 OUTLIER -72.46 -59.52 2.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.947 179.813 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 45' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -79.45 0.2 30.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.995 -178.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 46' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.06 168.66 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.823 0.345 . . . . 0.0 111.21 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -79.56 -47.92 14.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.177 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . 0.851 HD12 ' HA ' ' D' ' 129' ' ' TYR . 0.4 OUTLIER -66.91 -42.66 85.04 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.536 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 49' ' ' PHE . . . . . 0.501 ' CE2' HD11 ' C' ' 53' ' ' ILE . 8.9 t80 -50.81 -56.16 13.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.352 -179.442 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -54.19 -39.8 66.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.826 0.346 . . . . 0.0 110.718 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 51' ' ' ALA . . . . . 0.544 ' HB1' HG23 ' B' ' 132' ' ' ILE . . . -59.45 -47.33 85.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.886 179.7 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 52' ' ' LEU . . . . . 0.7 HD12 HD12 ' C' ' 48' ' ' LEU . 0.6 OUTLIER -62.6 -47.91 81.73 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.556 179.699 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 53' ' ' ILE . . . . . 0.76 HG12 HD13 ' D' ' 125' ' ' LEU . 18.8 mt -54.51 -31.27 22.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.448 179.605 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.86 -41.23 68.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.217 179.299 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 55' ' ' ILE . . . . . 0.76 HG22 ' HB2' ' C' ' 59' ' ' TYR . 63.7 mt -61.39 -35.2 64.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.629 179.479 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.62 -21.61 4.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.533 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 57' ' ' GLU . . . . . 0.407 ' O ' ' CD2' ' C' ' 58' ' ' PHE . 12.7 pt-20 -43.89 -41.16 5.01 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-O 120.799 0.333 . . . . 0.0 111.531 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 58' ' ' PHE . . . . . 0.407 ' CD2' ' O ' ' C' ' 57' ' ' GLU . 89.2 m-85 -157.51 39.2 0.29 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.429 -179.76 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 59' ' ' TYR . . . . . 0.881 ' CD2' HD21 ' B' ' 128' ' ' LEU . 55.2 m-85 -136.84 81.91 1.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.572 179.533 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 60' ' ' GLU . . . . . 0.409 ' HB2' ' HB ' ' A' ' 62' ' ' THR . 0.0 OUTLIER -69.54 90.28 0.54 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.202 -179.677 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 61' ' ' VAL . . . . . 0.549 HG23 HG21 ' D' ' 124' ' ' THR . 0.0 OUTLIER -73.0 102.56 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.979 0.419 . . . . 0.0 110.596 179.458 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 62' ' ' THR . . . . . 0.422 ' HB ' ' HB2' ' A' ' 60' ' ' GLU . 1.2 m -90.8 115.01 27.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.167 -179.518 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 63' ' ' LEU . . . . . 0.549 HD12 ' CE2' ' A' ' 59' ' ' TYR . 0.5 OUTLIER -83.16 139.79 32.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.144 179.121 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 64' ' ' LEU . . . . . 0.745 HD23 ' N ' ' C' ' 64' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.259 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 -179.285 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 82' ' ' LEU . . . . . 0.54 HD12 ' HB3' ' D' ' 130' ' ' ASP . 4.9 mp . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.787 0.327 . . . . 0.0 110.704 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 83' ' ' LEU . . . . . 0.87 HD23 ' H ' ' D' ' 84' ' ' ALA . 0.3 OUTLIER -76.0 -41.5 51.0 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.271 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 84' ' ' ALA . . . . . 0.967 ' HB1' ' HB2' ' D' ' 88' ' ' ALA . . . -96.5 -16.34 21.18 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.743 -178.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 85' ' ' ALA . . . . . 0.868 ' HB1' ' CB ' ' D' ' 126' ' ' LEU . . . -51.08 -28.14 9.81 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.104 0.478 . . . . 0.0 110.104 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 86' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -121.62 -40.35 2.56 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.573 178.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 87' ' ' ARG . . . . . 0.796 ' HB3' ' O ' ' D' ' 83' ' ' LEU . 32.1 ttt180 -59.55 -54.36 47.43 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.129 178.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 88' ' ' ALA . . . . . 0.967 ' HB2' ' HB1' ' D' ' 84' ' ' ALA . . . -56.92 -44.49 82.48 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.749 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 89' ' ' VAL . . . . . 0.528 HG12 ' HB3' ' D' ' 117' ' ' PHE . 41.4 t -68.79 -33.26 58.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.796 178.654 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 90' ' ' SER . . . . . 0.447 ' HA ' ' HB2' ' D' ' 93' ' ' LEU . 19.2 t -76.19 -26.17 55.91 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.644 179.343 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 91' ' ' GLN . . . . . 0.544 ' NE2' ' HA ' ' D' ' 88' ' ' ALA . 20.6 mt-30 -66.37 -56.99 8.43 Favored 'General case' 0 CA--C 1.515 -0.383 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.241 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 92' ' ' VAL . . . . . 0.732 HG11 ' CD2' ' C' ' 18' ' ' LEU . 4.5 t -65.18 -28.05 43.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.044 179.106 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 93' ' ' LEU . . . . . 0.703 HD21 ' HA ' ' D' ' 114' ' ' HIS . 4.1 mt -68.81 -31.84 71.12 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.399 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.51 -43.55 13.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.887 0.375 . . . . 0.0 111.051 -179.414 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 95' ' ' SER . . . . . 0.78 ' HB3' HD21 ' C' ' 33' ' ' LEU . 0.5 OUTLIER -79.47 -12.34 59.88 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.778 -179.662 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 96' ' ' LEU . . . . . 0.738 HD13 ' HB3' ' D' ' 110' ' ' LEU . 0.1 OUTLIER -38.33 -51.83 1.52 Allowed 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.977 0.418 . . . . 0.0 112.05 -179.636 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -69.76 -29.82 67.25 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.174 -179.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 98' ' ' GLU . . . . . 0.825 ' O ' ' HB3' ' D' ' 101' ' ' ALA . 0.1 OUTLIER -69.72 -34.14 73.47 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 177.927 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 99' ' ' ILE . . . . . 0.511 ' O ' ' OG1' ' D' ' 103' ' ' THR . 42.1 mt -61.9 -49.91 82.28 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.888 0 CA-C-N 114.464 -1.244 . . . . 0.0 109.888 178.61 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 100' ' ' HIS . . . . . 0.899 ' HB2' HD11 ' D' ' 110' ' ' LEU . 1.7 t-160 -56.24 -34.72 66.62 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 178.138 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 101' ' ' ALA . . . . . 0.825 ' HB3' ' O ' ' D' ' 98' ' ' GLU . . . -54.74 -44.3 73.44 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 114.585 -1.188 . . . . 0.0 111.359 179.138 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 102' ' ' LEU . . . . . 0.754 HD21 ' OE2' ' D' ' 98' ' ' GLU . 0.4 OUTLIER -118.38 25.07 10.54 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.801 -177.7 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 103' ' ' THR . . . . . 0.663 HG23 HD12 ' D' ' 102' ' ' LEU . 53.5 p -144.75 -3.49 0.79 Allowed 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 2.1 t70 57.57 20.18 5.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.911 0.386 . . . . 0.0 110.847 -179.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 105' ' ' SER . . . . . 0.473 ' HB2' ' CZ ' ' C' ' 21' ' ' TYR . 11.4 p -80.35 72.93 7.23 Favored 'General case' 0 CA--C 1.512 -0.494 0 CA-C-O 121.68 0.752 . . . . 0.0 109.979 179.228 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 106' ' ' SER . . . . . 0.431 ' C ' ' O ' ' D' ' 105' ' ' SER . 11.3 t -20.45 134.77 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 113.761 -1.563 . . . . 0.0 112.67 -179.416 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 107' ' ' GLU . . . . . 0.496 ' HA ' HD12 ' D' ' 110' ' ' LEU . 39.9 tt0 -50.78 -25.51 4.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.914 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.12 -55.0 36.08 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 121.13 0.49 . . . . 0.0 110.034 179.418 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 109' ' ' ASP . . . . . 0.574 ' O ' HD12 ' D' ' 113' ' ' LEU . 54.4 m-20 -63.26 -41.29 99.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.645 178.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 110' ' ' LEU . . . . . 0.899 HD11 ' HB2' ' D' ' 100' ' ' HIS . 91.7 mt -60.53 -32.97 71.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.189 179.033 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 111' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -66.43 -47.14 74.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.811 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 112' ' ' PHE . . . . . 0.456 ' O ' HG23 ' D' ' 116' ' ' VAL . 1.1 t80 -58.79 -38.33 78.31 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.528 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 113' ' ' LEU . . . . . 0.698 HD11 ' CD1' ' C' ' 17' ' ' LEU . 0.5 OUTLIER -76.51 -29.07 56.63 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.041 -179.773 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 114' ' ' HIS . . . . . 0.703 ' HA ' HD21 ' D' ' 93' ' ' LEU . 0.0 OUTLIER -64.45 -34.4 78.1 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.498 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 115' ' ' SER . . . . . 0.42 ' N ' ' CD2' ' D' ' 114' ' ' HIS . 7.7 t -74.95 -37.65 61.91 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 178.447 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 116' ' ' VAL . . . . . 0.839 ' O ' HD22 ' D' ' 122' ' ' LEU . 27.2 t -62.79 -23.64 33.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.764 178.292 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 117' ' ' PHE . . . . . 0.635 ' CZ ' HD11 ' C' ' 18' ' ' LEU . 11.7 m-30 -103.55 -24.54 13.41 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.398 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 118' ' ' GLN . . . . . 0.405 ' OE1' ' CD2' ' D' ' 114' ' ' HIS . 0.0 OUTLIER -71.59 -29.97 65.3 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.819 0.342 . . . . 0.0 111.336 -179.638 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -44.21 119.82 1.94 Allowed 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.593 -179.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 120' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.05 -45.25 93.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.682 179.697 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 121' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -56.47 -34.28 66.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.701 179.633 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 122' ' ' LEU . . . . . 0.839 HD22 ' O ' ' D' ' 116' ' ' VAL . 55.4 tp -55.76 -49.12 73.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.398 179.736 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 123' ' ' HIS . . . . . 0.958 ' HA ' HD12 ' D' ' 126' ' ' LEU . 0.0 OUTLIER -52.54 -26.57 13.55 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.13 0.49 . . . . 0.0 109.916 179.007 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 124' ' ' THR . . . . . 0.624 HG22 HD11 ' D' ' 128' ' ' LEU . 3.2 m -77.44 -34.4 54.53 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.978 179.181 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 125' ' ' LEU . . . . . 0.76 HD13 HG12 ' C' ' 53' ' ' ILE . 13.9 mt -67.46 -37.34 82.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.661 179.688 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 126' ' ' LEU . . . . . 0.958 HD12 ' HA ' ' D' ' 123' ' ' HIS . 0.4 OUTLIER -73.03 -46.71 50.34 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.109 -179.853 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 127' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -57.44 -53.11 61.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.018 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 128' ' ' LEU . . . . . 0.783 HD21 ' CE2' ' A' ' 59' ' ' TYR . 7.3 mt -68.86 -29.14 67.39 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.501 179.607 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 129' ' ' TYR . . . . . 0.851 ' HA ' HD12 ' C' ' 48' ' ' LEU . 1.1 t80 -55.3 -53.1 60.38 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.42 -179.168 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 130' ' ' ASP . . . . . 0.54 ' HB3' HD12 ' D' ' 82' ' ' LEU . 3.5 t70 -77.73 -32.24 52.69 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.209 179.635 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 131' ' ' LYS . . . . . 0.407 ' HB2' ' HA ' ' D' ' 128' ' ' LEU . 9.6 mmtp -54.54 -52.95 60.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.27 -179.527 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 132' ' ' ILE . . . . . 0.444 ' HB ' HD21 ' C' ' 48' ' ' LEU . 4.0 mt -77.6 -38.36 25.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.903 0.382 . . . . 0.0 110.85 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 133' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.277 -179.7 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.6 mtm-85 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.14 -38.31 90.6 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 121.079 0.466 . . . . 0.0 109.749 179.157 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 54.4 mm-40 -77.52 -29.59 52.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.079 179.124 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.784 ' HB3' HG22 ' B' ' 116' ' ' VAL . 1.1 m-20 -78.77 -29.43 45.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.989 179.373 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.636 HG23 ' CE2' ' A' ' 44' ' ' PHE . 52.3 m -73.16 -49.23 29.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.408 179.673 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.573 ' HA ' HD23 ' A' ' 15' ' ' LEU . 0.8 OUTLIER -69.72 -33.51 72.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.89 0.376 . . . . 0.0 110.143 179.544 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.94 -24.22 55.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.957 178.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.821 ' CB ' HG11 ' B' ' 116' ' ' VAL . . . -78.43 -54.9 5.68 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.554 178.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.851 HD22 ' HB3' ' A' ' 44' ' ' PHE . 0.3 OUTLIER -62.95 -26.37 68.79 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.749 179.352 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 9.3 m170 -73.33 -44.94 57.93 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 178.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.827 HD22 ' CZ ' ' A' ' 21' ' ' TYR . 2.8 mt -62.59 -38.45 90.18 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.738 178.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.637 ' HB3' HG23 ' A' ' 37' ' ' ILE . 12.5 mt -63.58 -40.27 96.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.627 179.532 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -60.61 -44.66 96.05 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.15 0.5 . . . . 0.0 110.635 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -69.11 -29.49 67.57 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.801 179.35 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.827 ' CZ ' HD22 ' A' ' 17' ' ' LEU . 21.6 m-30 -72.04 -48.6 43.24 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.595 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.6 ptt85 -55.58 -39.46 70.73 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.855 0.359 . . . . 0.0 110.178 179.33 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.64 -46.34 90.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.576 179.221 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.714 ' O ' HG22 ' B' ' 103' ' ' THR . 10.3 ptmt -98.92 16.19 23.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.91 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.914 HD12 HD11 ' A' ' 37' ' ' ILE . 0.0 OUTLIER -111.3 -66.26 1.1 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.736 0.303 . . . . 0.0 111.334 -179.385 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.519 ' HB2' ' HB2' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -63.88 -14.92 57.3 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.156 -0.474 . . . . 0.0 112.226 -178.735 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.425 ' OE1' ' NH1' ' A' ' 31' ' ' ARG . 0.2 OUTLIER -76.14 57.28 1.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.858 0.361 . . . . 0.0 110.918 -179.735 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.617 HG22 ' O ' ' A' ' 25' ' ' LEU . 9.0 t -176.38 -58.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.835 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.616 ' N ' HG23 ' A' ' 28' ' ' THR . 12.0 pt-20 -170.76 28.78 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.07 -0.513 . . . . 0.0 112.202 -178.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.415 ' CB ' HD22 ' A' ' 25' ' ' LEU . 0.5 OUTLIER -137.45 43.76 2.29 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.853 0.359 . . . . 0.0 111.459 -179.878 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.459 ' HA ' ' HB2' ' A' ' 26' ' ' SER . 18.0 mmm180 -55.54 -49.41 72.74 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-O 121.179 0.514 . . . . 0.0 110.311 179.49 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -56.0 -46.65 78.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.841 179.076 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.716 HD21 ' HB2' ' B' ' 95' ' ' SER . 4.1 tp -54.65 -32.15 58.62 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.852 178.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.519 ' HB2' ' HB2' ' A' ' 26' ' ' SER . 0.2 OUTLIER -60.66 -48.11 83.24 Favored 'General case' 0 CA--C 1.513 -0.451 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 178.529 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.34 -36.37 63.74 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.867 179.032 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.474 ' O ' ' HB2' ' A' ' 39' ' ' ARG . 1.4 m -67.31 -51.24 54.93 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.234 0.54 . . . . 0.0 109.901 178.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.914 HD11 HD12 ' A' ' 25' ' ' LEU . 56.6 mt -56.09 -40.97 67.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.938 -0.573 . . . . 0.0 109.621 178.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -59.11 -39.99 83.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.507 179.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.477 ' HB3' ' CB ' ' B' ' 88' ' ' ALA . 6.9 mtt180 -55.56 -53.56 54.91 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 121.322 0.582 . . . . 0.0 109.871 179.181 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.475 ' O ' ' CD1' ' A' ' 44' ' ' PHE . 42.1 t -59.89 -32.36 49.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.895 -179.765 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.906 HG22 ' NE2' ' A' ' 45' ' ' GLN . 4.3 mm -71.02 -49.88 46.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 C-N-CA 120.897 -0.321 . . . . 0.0 111.135 179.563 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.6 p -65.35 -48.26 73.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.839 0.352 . . . . 0.0 110.953 -179.269 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.834 HG23 ' CE2' ' B' ' 129' ' ' TYR . 5.4 mt -59.89 -34.55 56.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.335 179.445 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.851 ' HB3' HD22 ' A' ' 15' ' ' LEU . 3.9 m-85 -72.23 -54.04 10.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.676 178.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.906 ' NE2' HG22 ' A' ' 41' ' ' ILE . 39.2 mt-30 -56.55 -46.22 80.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.773 -179.292 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.477 ' CB ' ' CE1' ' B' ' 129' ' ' TYR . 0.1 OUTLIER -27.91 113.71 0.07 Allowed 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.856 -179.317 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -47.84 -27.28 2.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.932 -179.319 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.688 ' O ' HD12 ' A' ' 48' ' ' LEU . 1.8 tp -72.12 -48.25 45.1 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 120.678 -0.409 . . . . 0.0 109.907 179.603 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.497 ' CE1' HD23 ' B' ' 126' ' ' LEU . 52.6 t80 -52.02 -40.26 60.78 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.98 179.158 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.41 ' OE1' ' N ' ' A' ' 50' ' ' GLN . 4.7 mp0 -63.85 -41.06 97.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.033 178.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.68 -48.04 82.45 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.797 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.504 HD21 ' HB3' ' B' ' 128' ' ' LEU . 0.8 OUTLIER -57.55 -45.21 85.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.949 0.404 . . . . 0.0 110.36 179.528 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.766 HG12 HD13 ' B' ' 125' ' ' LEU . 77.1 mt -55.35 -38.05 46.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.396 179.227 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -73.95 -38.0 64.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.709 179.23 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.663 HG22 ' HB2' ' A' ' 59' ' ' TYR . 64.7 mt -62.07 -46.15 97.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.214 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -51.1 -22.32 2.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.627 -179.571 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -46.7 -35.66 6.31 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.74 0.305 . . . . 0.0 111.145 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -151.7 27.79 0.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.239 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.912 ' CD2' HD21 ' D' ' 128' ' ' LEU . 54.1 m-85 -134.51 71.79 1.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.474 179.767 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.423 ' HB2' ' HB ' ' C' ' 62' ' ' THR . 2.2 mt-10 -58.97 94.71 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.783 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.559 HG23 HG21 ' B' ' 124' ' ' THR . 0.0 OUTLIER -72.59 103.66 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.009 0.433 . . . . 0.0 110.957 -179.92 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.477 ' HB ' ' HB2' ' C' ' 60' ' ' GLU . 1.9 m -85.25 112.92 21.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.652 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.449 ' CD1' ' CE2' ' C' ' 59' ' ' TYR . 0.2 OUTLIER -88.34 132.21 34.51 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.785 -179.844 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.695 ' N ' HD23 ' A' ' 64' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.004 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . 0.796 HD23 ' O ' ' B' ' 82' ' ' LEU . 8.8 tt . . . . . 0 N--CA 1.447 -0.611 0 CA-C-O 121.415 0.626 . . . . 0.0 110.111 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . 0.988 HD23 ' H ' ' B' ' 84' ' ' ALA . 0.5 OUTLIER -75.18 -39.72 59.98 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.093 -0.958 . . . . 0.0 111.385 -179.352 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 0.988 ' H ' HD23 ' B' ' 83' ' ' LEU . . . -65.4 -26.18 67.88 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.064 -178.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 85' ' ' ALA . . . . . 1.02 ' HB1' ' HB3' ' B' ' 126' ' ' LEU . . . -53.35 -25.16 14.2 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.055 0.455 . . . . 0.0 110.262 179.231 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -124.67 -45.22 1.92 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.785 178.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 87' ' ' ARG . . . . . 0.6 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 8.8 ttt180 -58.5 -46.73 86.1 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.314 179.014 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . 0.782 ' HB3' ' O ' ' B' ' 84' ' ' ALA . . . -65.06 -41.19 95.37 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.906 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 89' ' ' VAL . . . . . 0.759 HG13 ' CD1' ' B' ' 117' ' ' PHE . 46.2 t -68.62 -36.65 75.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.649 179.44 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 11.5 t -76.04 -41.06 51.99 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.515 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 91' ' ' GLN . . . . . 0.48 ' NE2' ' HA ' ' B' ' 88' ' ' ALA . 7.7 pt20 -66.67 -49.24 66.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.186 0.517 . . . . 0.0 109.676 179.779 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 92' ' ' VAL . . . . . 0.698 HG23 ' O ' ' B' ' 88' ' ' ALA . 46.8 t -64.89 -28.03 43.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.31 177.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 93' ' ' LEU . . . . . 0.734 HD21 ' HA ' ' B' ' 114' ' ' HIS . 1.7 mt -60.94 -45.99 92.48 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.353 179.543 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -76.12 -25.68 55.61 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.957 -179.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 95' ' ' SER . . . . . 0.716 ' HB2' HD21 ' A' ' 33' ' ' LEU . 9.7 p -79.02 -27.51 43.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.642 -179.714 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . 0.919 HD22 HD22 ' B' ' 110' ' ' LEU . 0.2 OUTLIER -37.43 -52.3 1.13 Allowed 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 112.589 0.588 . . . . 0.0 112.589 -179.332 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -69.46 -29.53 67.24 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.152 -179.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . 0.796 ' O ' ' HB3' ' B' ' 101' ' ' ALA . 0.1 OUTLIER -69.64 -34.69 74.39 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 177.898 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 99' ' ' ILE . . . . . 0.462 ' HB ' ' O ' ' B' ' 96' ' ' LEU . 39.6 mt -61.99 -49.23 84.99 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.819 0 CA-C-N 114.471 -1.241 . . . . 0.0 109.852 178.444 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 100' ' ' HIS . . . . . 0.867 ' HB2' HD11 ' B' ' 110' ' ' LEU . 1.7 t-160 -56.46 -33.9 66.35 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 178.084 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 101' ' ' ALA . . . . . 0.796 ' HB3' ' O ' ' B' ' 98' ' ' GLU . . . -56.56 -45.32 81.31 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.494 -1.23 . . . . 0.0 111.993 179.408 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 102' ' ' LEU . . . . . 0.778 HD21 ' OE2' ' B' ' 98' ' ' GLU . 0.4 OUTLIER -117.32 30.22 7.43 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 -177.257 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 103' ' ' THR . . . . . 0.714 HG22 ' O ' ' A' ' 24' ' ' LYS . 40.8 p -146.87 -32.58 0.31 Allowed 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.994 -0.283 . . . . 0.0 111.529 179.568 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 69.42 27.44 4.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.066 0.46 . . . . 0.0 110.486 -179.558 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 105' ' ' SER . . . . . 0.416 ' HB3' ' CE1' ' A' ' 21' ' ' TYR . 27.4 m -51.4 -76.98 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.835 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 168.28 104.8 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.509 179.757 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 66.5 tt0 -48.08 -32.87 7.34 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.929 0.395 . . . . 0.0 110.638 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.46 -47.19 73.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.796 179.071 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 109' ' ' ASP . . . . . 0.665 ' O ' HD12 ' B' ' 113' ' ' LEU . 4.0 m-20 -63.98 -36.62 84.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.85 179.039 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 110' ' ' LEU . . . . . 0.919 HD22 HD22 ' B' ' 96' ' ' LEU . 17.1 mt -59.8 -44.93 93.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.07 179.091 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -60.79 -41.79 96.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.661 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 112' ' ' PHE . . . . . 0.501 ' O ' HG23 ' B' ' 116' ' ' VAL . 0.2 OUTLIER -58.66 -39.83 81.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.575 179.728 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 113' ' ' LEU . . . . . 0.673 HD23 ' HB1' ' A' ' 14' ' ' ALA . 0.5 OUTLIER -74.58 -31.78 62.17 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.977 -179.894 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 114' ' ' HIS . . . . . 0.734 ' HA ' HD21 ' B' ' 93' ' ' LEU . 0.0 OUTLIER -61.38 -34.74 75.84 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 178.585 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . 0.462 ' N ' ' CD2' ' B' ' 114' ' ' HIS . 0.6 OUTLIER -75.12 -37.44 61.43 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 178.48 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 116' ' ' VAL . . . . . 0.821 HG11 ' CB ' ' A' ' 14' ' ' ALA . 38.7 t -62.47 -23.83 33.47 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.027 178.564 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 117' ' ' PHE . . . . . 0.759 ' CD1' HG13 ' B' ' 89' ' ' VAL . 25.0 m-85 -102.95 -29.09 11.63 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.22 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.86 -31.17 71.97 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.832 0.349 . . . . 0.0 111.113 -179.539 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -45.75 121.46 3.14 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.456 -179.596 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 5.2 tp60 -66.29 -43.46 86.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.849 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 121' ' ' HIS . . . . . 0.401 ' O ' ' HG ' ' B' ' 125' ' ' LEU . 0.3 OUTLIER -55.74 -33.87 64.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.804 179.721 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . 0.885 HD12 HD12 ' B' ' 125' ' ' LEU . 33.2 tp -55.82 -47.43 77.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.613 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 123' ' ' HIS . . . . . 0.889 ' HA ' HD12 ' B' ' 126' ' ' LEU . 0.0 OUTLIER -55.98 -25.75 45.33 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 179.18 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 124' ' ' THR . . . . . 0.559 HG21 HG23 ' A' ' 61' ' ' VAL . 1.3 m -74.39 -37.51 63.38 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 178.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . 0.885 HD12 HD12 ' B' ' 122' ' ' LEU . 3.4 mt -73.14 -32.45 64.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.364 178.12 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . 1.02 ' HB3' ' HB1' ' B' ' 85' ' ' ALA . 8.7 mt -73.27 -50.43 22.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.071 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -66.17 -39.04 89.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.996 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . 0.929 HD21 ' CD2' ' C' ' 59' ' ' TYR . 84.4 mt -72.73 -34.07 66.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.497 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 129' ' ' TYR . . . . . 0.834 ' CE2' HG23 ' A' ' 43' ' ' ILE . 0.3 OUTLIER -60.41 -51.98 67.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.734 -179.636 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 130' ' ' ASP . . . . . 0.715 ' OD2' ' HB2' ' B' ' 85' ' ' ALA . 35.9 m-20 -76.42 -27.49 56.28 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.331 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 18.1 mttp -59.58 -51.89 67.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.757 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 132' ' ' ILE . . . . . 0.828 ' CG1' HD11 ' C' ' 55' ' ' ILE . 3.0 mt -73.46 -38.39 52.77 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.527 179.651 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 133' ' ' ASN . . . . . 0.445 ' HB2' HD23 ' A' ' 48' ' ' LEU . 57.2 t30 -59.52 -30.12 68.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.774 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 90.6 m -81.4 -31.69 33.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -79.31 -34.01 42.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 7' ' ' ARG . . . . . 0.611 ' O ' HG23 ' C' ' 11' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.219 0 N-CA-C 110.511 -0.181 . . . . 0.0 110.511 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 8' ' ' LYS . . . . . 0.56 ' HG2' HG21 ' C' ' 53' ' ' ILE . 12.7 mtmt -67.68 -31.89 72.18 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.031 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 58.0 mm-40 -80.65 -32.02 36.27 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.188 179.242 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 10' ' ' ASP . . . . . 0.808 ' OD2' HG22 ' D' ' 116' ' ' VAL . 0.0 OUTLIER -81.55 -30.06 33.25 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.955 0.407 . . . . 0.0 110.21 179.702 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 11' ' ' THR . . . . . 0.611 HG23 ' O ' ' C' ' 7' ' ' ARG . 21.6 p -73.04 -42.3 63.27 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.808 179.169 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 12' ' ' GLN . . . . . 0.526 ' O ' ' HB2' ' C' ' 16' ' ' HIS . 0.6 OUTLIER -69.04 -48.4 62.95 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.18 179.196 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -63.54 -24.98 68.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.991 179.135 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 14' ' ' ALA . . . . . 0.929 ' CB ' HG11 ' D' ' 116' ' ' VAL . . . -78.39 -52.52 8.45 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.717 179.06 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 15' ' ' LEU . . . . . 0.756 HD22 ' HB3' ' C' ' 44' ' ' PHE . 0.4 OUTLIER -66.42 -28.39 68.58 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.011 179.753 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 16' ' ' HIS . . . . . 0.526 ' HB2' ' O ' ' C' ' 12' ' ' GLN . 0.1 OUTLIER -72.24 -45.09 61.68 Favored 'General case' 0 CA--C 1.519 -0.224 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 178.502 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . 0.93 HD22 ' CZ ' ' C' ' 21' ' ' TYR . 1.5 mt -62.55 -38.57 90.54 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.266 178.6 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . 0.942 ' CD2' HG11 ' D' ' 92' ' ' VAL . 36.3 mt -61.03 -43.15 99.32 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.815 -1.084 . . . . 0.0 110.831 179.702 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 19' ' ' GLU . . . . . 0.416 ' O ' ' HG2' ' C' ' 22' ' ' ARG . 2.0 mt-10 -62.09 -42.34 99.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.982 -179.779 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -72.8 -32.87 65.87 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.231 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 21' ' ' TYR . . . . . 0.93 ' CZ ' HD22 ' C' ' 17' ' ' LEU . 17.1 m-30 -70.3 -47.21 62.18 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.658 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 22' ' ' ARG . . . . . 0.443 ' HB2' ' HB2' ' C' ' 34' ' ' ARG . 0.4 OUTLIER -58.24 -45.4 87.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.912 179.859 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 23' ' ' SER . . . . . 0.432 ' N ' ' HG3' ' C' ' 22' ' ' ARG . 4.3 m -59.35 -41.63 89.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.579 179.651 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 24' ' ' LYS . . . . . 0.457 ' HG3' ' HB ' ' D' ' 103' ' ' THR . 9.8 ptmt -91.08 1.68 56.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.198 179.636 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 25' ' ' LEU . . . . . 0.873 HD12 HD11 ' C' ' 37' ' ' ILE . 0.1 OUTLIER -87.97 -69.82 0.67 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.96 0.409 . . . . 0.0 111.153 -179.63 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . 0.753 ' OG ' ' HB3' ' C' ' 34' ' ' ARG . 69.5 m -62.94 -153.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.087 -179.152 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 27' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 60.39 21.02 10.62 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-O 120.961 0.41 . . . . 0.0 109.985 -179.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 28' ' ' THR . . . . . 0.62 HG23 ' N ' ' C' ' 29' ' ' GLU . 8.3 t -144.62 -57.85 0.36 Allowed 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.002 -179.389 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 29' ' ' GLU . . . . . 0.62 ' N ' HG23 ' C' ' 28' ' ' THR . 16.4 pt-20 -177.61 28.45 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.721 -179.343 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -149.48 53.26 0.95 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.994 0.426 . . . . 0.0 110.761 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . 0.493 ' HD2' ' HB3' ' C' ' 26' ' ' SER . 13.7 mmm180 -63.6 -53.37 52.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.867 -179.787 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.46 -36.5 71.52 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.593 179.702 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 33' ' ' LEU . . . . . 0.808 ' HG ' HD11 ' C' ' 25' ' ' LEU . 1.1 tp -60.12 -48.87 79.91 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.322 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 34' ' ' ARG . . . . . 0.753 ' HB3' ' OG ' ' C' ' 26' ' ' SER . 0.0 OUTLIER -61.41 -29.74 70.12 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 179.203 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 1.7 t -59.68 -42.97 94.12 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.428 178.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 36' ' ' SER . . . . . 0.663 ' O ' HG23 ' C' ' 40' ' ' VAL . 11.3 p -62.58 -42.31 99.48 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 178.484 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 37' ' ' ILE . . . . . 0.873 HD11 HD12 ' C' ' 25' ' ' LEU . 40.6 mt -59.82 -41.66 86.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 178.306 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 38' ' ' GLU . . . . . 0.41 ' HG2' ' NH1' ' C' ' 22' ' ' ARG . 7.1 mt-10 -58.6 -53.26 60.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 114.764 -1.107 . . . . 0.0 111.396 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 39' ' ' ARG . . . . . 0.463 ' HG3' ' HB1' ' D' ' 88' ' ' ALA . 4.2 ptp85 -55.91 -34.37 65.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.874 0.369 . . . . 0.0 110.05 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . 0.663 HG23 ' O ' ' C' ' 36' ' ' SER . 59.7 t -68.79 -30.24 46.35 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.844 178.435 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 41' ' ' ILE . . . . . 0.753 HD11 ' CB ' ' C' ' 18' ' ' LEU . 20.3 mm -69.34 -60.37 2.55 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.144 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.98 179.371 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 19.8 p -56.7 -46.01 81.47 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.901 0.381 . . . . 0.0 110.384 -179.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 43' ' ' ILE . . . . . . . . . . . . . 21.5 mt -60.44 -33.16 53.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.803 178.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 44' ' ' PHE . . . . . 0.756 ' HB3' HD22 ' C' ' 15' ' ' LEU . 0.2 OUTLIER -72.73 -60.06 2.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.839 179.55 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 45' ' ' GLN . . . . . 0.406 ' NE2' HG22 ' C' ' 41' ' ' ILE . 6.2 pt20 -78.39 -2.03 36.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.98 -178.671 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 46' ' ' SER . . . . . 0.407 ' CB ' ' CE1' ' D' ' 129' ' ' TYR . 0.1 OUTLIER -47.66 151.73 0.8 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.813 0.34 . . . . 0.0 111.46 -179.698 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.78 -31.84 70.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.987 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . 0.681 HD12 ' HA ' ' D' ' 129' ' ' TYR . 0.3 OUTLIER -77.68 -47.04 20.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.082 179.691 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 49' ' ' PHE . . . . . 0.984 ' CE2' HD11 ' C' ' 53' ' ' ILE . 71.1 t80 -50.68 -56.18 13.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.249 -179.44 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -54.45 -39.64 67.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.837 0.351 . . . . 0.0 110.796 179.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 51' ' ' ALA . . . . . 0.615 ' HB1' HG23 ' B' ' 132' ' ' ILE . . . -58.65 -45.28 89.67 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.063 0.459 . . . . 0.0 110.464 179.507 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 52' ' ' LEU . . . . . 0.557 HD13 ' O ' ' D' ' 125' ' ' LEU . 1.5 mt -61.34 -45.21 95.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.003 179.312 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 53' ' ' ILE . . . . . 0.984 HD11 ' CE2' ' C' ' 49' ' ' PHE . 54.9 mt -55.55 -31.84 29.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.228 179.125 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.9 -35.94 67.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.173 179.199 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 55' ' ' ILE . . . . . 0.828 HD11 ' CG1' ' B' ' 132' ' ' ILE . 56.5 mt -64.1 -50.7 75.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.789 179.573 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 56' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -50.21 -24.88 3.12 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.501 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 57' ' ' GLU . . . . . 0.407 ' O ' ' CD2' ' C' ' 58' ' ' PHE . 3.2 mm-40 -46.66 -29.66 1.97 Allowed 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.869 0.366 . . . . 0.0 110.992 179.77 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 58' ' ' PHE . . . . . 0.407 ' CD2' ' O ' ' C' ' 57' ' ' GLU . 61.1 m-85 -157.24 27.66 0.3 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.156 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 59' ' ' TYR . . . . . 0.929 ' CD2' HD21 ' B' ' 128' ' ' LEU . 47.5 m-85 -137.67 74.58 1.49 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.691 179.7 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 60' ' ' GLU . . . . . 0.477 ' HB2' ' HB ' ' A' ' 62' ' ' THR . 0.7 OUTLIER -57.74 91.83 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.207 -179.847 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 61' ' ' VAL . . . . . 0.551 HG23 HG21 ' D' ' 124' ' ' THR . 0.1 OUTLIER -73.35 99.99 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 120.834 0.349 . . . . 0.0 111.02 179.888 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 62' ' ' THR . . . . . 0.423 ' HB ' ' HB2' ' A' ' 60' ' ' GLU . 2.8 m -84.84 119.01 24.84 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.413 179.614 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 63' ' ' LEU . . . . . 0.454 ' C ' HD23 ' C' ' 64' ' ' LEU . 0.2 OUTLIER -91.94 134.54 34.7 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.056 -179.704 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 64' ' ' LEU . . . . . 0.714 HD23 ' N ' ' C' ' 64' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.778 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 82' ' ' LEU . . . . . 0.841 ' N ' HD23 ' D' ' 82' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 83' ' ' LEU . . . . . 0.967 HD23 ' H ' ' D' ' 84' ' ' ALA . 0.1 OUTLIER -59.12 -53.82 54.01 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 114.839 -1.073 . . . . 0.0 110.688 179.912 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' D' D ' 84' ' ' ALA . . . . . 0.967 ' H ' HD23 ' D' ' 83' ' ' LEU . . . -72.18 -22.94 61.21 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.07 -179.294 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 85' ' ' ALA . . . . . 0.861 ' HB1' ' HB2' ' D' ' 126' ' ' LEU . . . -52.75 -25.38 11.0 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.147 0.499 . . . . 0.0 109.854 179.167 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 86' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -127.11 -39.66 1.9 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.08 178.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 87' ' ' ARG . . . . . 0.739 ' HB3' ' O ' ' D' ' 83' ' ' LEU . 12.3 ttt180 -63.75 -40.34 96.47 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.269 179.263 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 88' ' ' ALA . . . . . 0.74 ' HB2' ' HB1' ' D' ' 84' ' ' ALA . . . -68.63 -49.67 57.37 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.682 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 89' ' ' VAL . . . . . 0.669 HG12 ' HB3' ' D' ' 117' ' ' PHE . 27.5 t -66.82 -34.71 71.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.349 179.261 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 90' ' ' SER . . . . . 0.485 ' HA ' ' HB2' ' D' ' 93' ' ' LEU . 58.3 m -76.16 -25.49 55.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.697 179.572 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 91' ' ' GLN . . . . . 0.441 ' NE2' ' HG2' ' D' ' 87' ' ' ARG . 10.2 mt-30 -66.81 -54.52 21.68 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-O 121.31 0.576 . . . . 0.0 109.524 179.369 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 92' ' ' VAL . . . . . 0.942 HG11 ' CD2' ' C' ' 18' ' ' LEU . 3.7 t -68.09 -28.06 39.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.945 178.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 93' ' ' LEU . . . . . 0.727 HD21 ' HA ' ' D' ' 114' ' ' HIS . 2.0 mt -66.22 -32.96 74.7 Favored 'General case' 0 C--O 1.23 0.059 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.284 179.707 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -86.29 -44.66 11.94 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.834 0.35 . . . . 0.0 111.355 -179.279 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 95' ' ' SER . . . . . 0.717 ' HB3' HD21 ' C' ' 33' ' ' LEU . 0.3 OUTLIER -79.98 -13.86 59.02 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.093 -0.503 . . . . 0.0 112.318 -179.284 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' D' D ' 96' ' ' LEU . . . . . 0.973 HD12 ' CD2' ' D' ' 114' ' ' HIS . 0.2 OUTLIER -39.49 -52.09 2.14 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -179.355 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -68.21 -31.43 70.93 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.232 -179.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 98' ' ' GLU . . . . . 0.84 ' O ' ' HB3' ' D' ' 101' ' ' ALA . 0.1 OUTLIER -69.87 -33.38 72.17 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 178.204 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' D' D ' 99' ' ' ILE . . . . . 0.517 HG23 HG21 ' D' ' 103' ' ' THR . 50.8 mt -63.21 -48.99 84.99 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.811 0 CA-C-N 114.521 -1.218 . . . . 0.0 109.491 178.458 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 100' ' ' HIS . . . . . 0.792 ' HB2' HD11 ' D' ' 110' ' ' LEU . 1.7 t-160 -55.43 -34.59 64.58 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 177.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 101' ' ' ALA . . . . . 0.84 ' HB3' ' O ' ' D' ' 98' ' ' GLU . . . -54.97 -46.88 75.11 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 114.445 -1.252 . . . . 0.0 111.582 178.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 102' ' ' LEU . . . . . 0.776 HD21 ' OE2' ' D' ' 98' ' ' GLU . 0.4 OUTLIER -116.82 35.47 4.59 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.312 -0.858 . . . . 0.0 112.464 -177.836 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' D' D ' 103' ' ' THR . . . . . 0.667 HG23 HD12 ' D' ' 102' ' ' LEU . 49.9 p -152.0 -30.89 0.16 Allowed 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.902 -0.319 . . . . 0.0 111.783 179.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 76.64 22.85 1.13 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.008 0.432 . . . . 0.0 110.669 -179.452 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 105' ' ' SER . . . . . 0.467 ' HB3' ' CE1' ' C' ' 21' ' ' TYR . 1.9 p -57.02 -21.64 32.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.917 179.479 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 106' ' ' SER . . . . . 0.408 ' CB ' ' O ' ' D' ' 105' ' ' SER . 4.4 t 81.47 120.85 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.748 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -51.16 -29.17 12.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.124 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.72 -55.11 39.15 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.024 0.44 . . . . 0.0 110.201 179.641 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 109' ' ' ASP . . . . . 0.667 ' O ' HD12 ' D' ' 113' ' ' LEU . 68.3 m-20 -63.19 -35.28 79.78 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.956 179.063 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 110' ' ' LEU . . . . . 0.935 HD22 HD22 ' D' ' 96' ' ' LEU . 40.2 mt -63.71 -40.18 96.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.105 179.212 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 111' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -61.45 -44.38 97.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.399 179.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 112' ' ' PHE . . . . . 0.59 ' O ' HG23 ' D' ' 116' ' ' VAL . 3.1 t80 -58.98 -42.28 89.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.303 179.541 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 113' ' ' LEU . . . . . 0.692 HD11 ' CD1' ' C' ' 17' ' ' LEU . 0.5 OUTLIER -73.06 -31.66 64.55 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.797 -179.797 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' D' D ' 114' ' ' HIS . . . . . 0.973 ' CD2' HD12 ' D' ' 96' ' ' LEU . 36.7 m170 -60.21 -35.4 75.33 Favored 'General case' 0 CA--C 1.518 -0.273 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 177.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 115' ' ' SER . . . . . 0.428 ' HA ' ' HB2' ' D' ' 118' ' ' GLN . 4.7 t -73.81 -39.44 64.08 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.03 178.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 116' ' ' VAL . . . . . 0.929 HG11 ' CB ' ' C' ' 14' ' ' ALA . 62.5 t -60.67 -23.49 29.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.91 178.475 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 117' ' ' PHE . . . . . 0.669 ' HB3' HG12 ' D' ' 89' ' ' VAL . 7.9 m-30 -106.24 -21.47 13.1 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.393 -179.672 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 118' ' ' GLN . . . . . 0.433 ' NE2' HD11 ' D' ' 93' ' ' LEU . 0.0 OUTLIER -71.83 -30.44 65.49 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.718 0.294 . . . . 0.0 111.134 -179.745 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -43.48 142.57 1.11 Allowed 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.734 -179.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 120' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -82.79 -48.76 10.45 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.843 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 121' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.7 -34.0 64.69 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.549 179.694 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 122' ' ' LEU . . . . . 0.808 HD22 ' O ' ' D' ' 116' ' ' VAL . 43.0 tp -55.8 -49.25 73.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.145 179.656 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 123' ' ' HIS . . . . . 0.878 ' HA ' HD12 ' D' ' 126' ' ' LEU . 0.0 OUTLIER -52.31 -27.13 14.08 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.094 179.08 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' D' D ' 124' ' ' THR . . . . . 0.59 HG22 HD11 ' D' ' 128' ' ' LEU . 3.6 m -75.44 -35.25 60.96 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.948 179.243 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 125' ' ' LEU . . . . . 0.806 HD12 HD12 ' D' ' 122' ' ' LEU . 14.7 mt -65.26 -41.19 94.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.229 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 126' ' ' LEU . . . . . 0.878 HD12 ' HA ' ' D' ' 123' ' ' HIS . 0.3 OUTLIER -73.13 -41.42 64.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.263 -179.65 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' D' D ' 127' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.4 -53.25 60.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.862 0.363 . . . . 0.0 111.08 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 128' ' ' LEU . . . . . 0.912 HD21 ' CD2' ' A' ' 59' ' ' TYR . 5.2 mt -70.16 -29.54 66.47 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.323 179.729 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 129' ' ' TYR . . . . . 0.681 ' HA ' HD12 ' C' ' 48' ' ' LEU . 3.2 t80 -56.27 -53.53 56.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.515 -179.173 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 130' ' ' ASP . . . . . 0.436 ' HB3' ' CD2' ' D' ' 82' ' ' LEU . 1.7 m-20 -77.51 -29.37 52.41 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.51 -0.313 . . . . 0.0 111.386 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.56 -53.91 48.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.932 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 132' ' ' ILE . . . . . 0.728 HD12 ' O ' ' D' ' 128' ' ' LEU . 1.8 mt -77.02 -41.8 31.55 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.755 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 133' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 . . . . . 0 C--N 1.326 -0.422 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.246 -179.517 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.21 0 N-CA-C 110.059 -0.348 . . . . 0.0 110.059 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.98 -37.86 88.95 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 121.157 0.503 . . . . 0.0 109.763 178.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 56.2 mm-40 -73.77 -31.57 63.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.12 179.175 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.31 -34.14 55.46 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.016 179.594 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.3 p -72.95 -47.82 42.17 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.019 179.376 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.553 ' HA ' HD23 ' A' ' 15' ' ' LEU . 0.5 OUTLIER -63.6 -34.19 77.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.089 179.54 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.411 ' HD3' ' CZ ' ' B' ' 112' ' ' PHE . 59.3 ttt85 -75.32 -25.48 57.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.106 179.043 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.827 ' CB ' HG11 ' B' ' 116' ' ' VAL . . . -78.38 -55.34 5.31 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 178.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.781 ' O ' HD12 ' A' ' 41' ' ' ILE . 0.3 OUTLIER -60.37 -28.45 68.21 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.128 179.365 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.407 ' CD2' ' O ' ' A' ' 12' ' ' GLN . 9.6 m-70 -73.99 -45.46 49.82 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.228 0.537 . . . . 0.0 110.038 179.006 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.678 ' CD1' HD11 ' B' ' 113' ' ' LEU . 2.1 mt -60.65 -49.45 77.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.791 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 1.062 HD22 HG11 ' B' ' 92' ' ' VAL . 0.9 OUTLIER -61.99 -35.27 78.03 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.271 179.811 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.434 ' CG ' HG21 ' A' ' 41' ' ' ILE . 8.8 mt-10 -58.14 -43.44 87.34 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.183 0.516 . . . . 0.0 110.22 179.286 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.52 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 7.3 mm-40 -69.74 -34.37 73.73 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.892 179.37 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.623 ' CZ ' HD22 ' A' ' 17' ' ' LEU . 22.4 m-30 -66.52 -48.56 69.34 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.804 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.421 ' CG ' ' O ' ' A' ' 19' ' ' GLU . 0.3 OUTLIER -55.47 -42.83 74.89 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 120.781 0.324 . . . . 0.0 110.48 179.742 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.407 ' O ' ' CG ' ' A' ' 27' ' ' GLN . 0.8 OUTLIER -63.55 -32.54 74.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.116 179.475 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.52 ' HG3' ' O ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -114.31 21.69 14.43 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.714 0.292 . . . . 0.0 111.762 -179.736 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.88 HD12 HD11 ' A' ' 37' ' ' ILE . 0.0 OUTLIER -118.14 -55.92 2.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.808 0.337 . . . . 0.0 110.87 -179.715 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.555 ' HB2' ' HA ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -67.85 -12.11 59.98 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.181 -0.463 . . . . 0.0 112.12 -178.944 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.434 ' OE1' ' NH1' ' A' ' 31' ' ' ARG . 2.1 mm100 -79.37 55.57 1.94 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.757 0.313 . . . . 0.0 110.885 -179.719 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.495 HG23 ' N ' ' A' ' 29' ' ' GLU . 5.8 t -173.42 -54.02 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.822 0.304 . . . . 0.0 111.822 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.495 ' N ' HG23 ' A' ' 28' ' ' THR . 8.5 pt-20 -175.1 27.64 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.983 -179.307 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -136.77 48.13 2.12 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.018 0.437 . . . . 0.0 111.227 -179.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.555 ' HA ' ' HB2' ' A' ' 26' ' ' SER . 25.6 mmm180 -61.55 -46.95 87.75 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.202 0.525 . . . . 0.0 110.149 179.308 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.72 -46.78 86.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.58 178.696 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.691 HD21 ' HB3' ' B' ' 95' ' ' SER . 5.2 tp -54.33 -33.43 58.91 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.872 178.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.499 ' HB2' ' HB2' ' A' ' 26' ' ' SER . 0.6 OUTLIER -60.68 -47.24 87.13 Favored 'General case' 0 CA--C 1.513 -0.468 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.273 178.746 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.3 t -55.42 -37.26 67.41 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.171 179.062 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.439 ' HA ' ' HD2' ' A' ' 39' ' ' ARG . 1.5 m -67.89 -51.18 51.0 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.166 0.508 . . . . 0.0 110.029 179.06 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.88 HD11 HD12 ' A' ' 25' ' ' LEU . 67.0 mt -56.9 -41.63 76.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.796 178.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -60.04 -40.52 89.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.738 179.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.439 ' HD2' ' HA ' ' A' ' 36' ' ' SER . 7.8 mtt180 -55.49 -51.37 67.2 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 121.266 0.555 . . . . 0.0 109.813 179.37 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.598 HG11 ' CZ ' ' B' ' 117' ' ' PHE . 44.4 t -60.44 -31.45 48.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.536 179.615 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.781 HD12 ' O ' ' A' ' 15' ' ' LEU . 7.2 mm -69.1 -52.6 32.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 N-CA-C 111.76 0.281 . . . . 0.0 111.76 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.4 t -65.7 -48.45 71.95 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.834 0.35 . . . . 0.0 111.19 -179.045 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.813 HG23 ' CE2' ' B' ' 129' ' ' TYR . 8.1 mt -59.65 -33.34 51.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.476 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.718 ' HB3' HD22 ' A' ' 15' ' ' LEU . 3.0 m-85 -72.23 -54.9 8.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.919 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.429 ' HG2' ' O ' ' A' ' 41' ' ' ILE . 5.7 pt20 -82.26 3.16 28.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 112.096 -178.487 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.427 ' OG ' ' CE1' ' B' ' 129' ' ' TYR . 1.6 t -51.29 145.5 8.11 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.85 0.357 . . . . 0.0 111.092 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -61.63 -36.11 79.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.143 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.779 HD21 ' HB ' ' B' ' 132' ' ' ILE . 1.5 tp -77.89 -44.99 25.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.091 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.94 ' O ' HD23 ' A' ' 52' ' ' LEU . 19.1 t80 -50.85 -56.24 13.15 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.905 0.383 . . . . 0.0 111.019 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -57.63 -36.7 72.17 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.07 0.462 . . . . 0.0 110.483 179.578 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.55 -49.22 78.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.701 -0.682 . . . . 0.0 111.831 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 1.083 HD11 ' HA ' ' B' ' 125' ' ' LEU . 0.2 OUTLIER -72.97 -32.79 65.43 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.893 -179.268 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.747 HG12 HD13 ' B' ' 125' ' ' LEU . 54.2 mt -55.44 -38.38 48.66 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 178.11 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -68.37 -43.08 78.18 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.271 178.338 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.766 HG22 ' HB2' ' A' ' 59' ' ' TYR . 82.9 mt -49.93 -40.37 16.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.637 178.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.98 -23.76 8.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.516 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -48.08 -28.27 2.77 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.837 0.351 . . . . 0.0 111.299 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -155.51 25.92 0.4 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.303 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.848 ' CD2' HD21 ' D' ' 128' ' ' LEU . 42.5 m-85 -135.14 82.77 1.98 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.834 179.735 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.22 92.18 0.18 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.907 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -72.77 96.72 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 CA-C-O 120.899 0.38 . . . . 0.0 110.54 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.414 ' HB ' ' HB2' ' C' ' 60' ' ' GLU . 9.0 m -83.97 109.06 17.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.607 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.922 HD12 HG23 ' B' ' 124' ' ' THR . 0.2 OUTLIER -86.36 131.88 34.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.731 179.826 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.779 ' N ' HD23 ' A' ' 64' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.887 -179.638 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . 0.53 HD23 ' C ' ' B' ' 82' ' ' LEU . 8.5 tt . . . . . 0 N--CA 1.448 -0.555 0 CA-C-O 121.233 0.54 . . . . 0.0 110.646 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . 0.992 HD23 ' H ' ' B' ' 84' ' ' ALA . 0.7 OUTLIER -66.26 -39.61 89.59 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.18 -0.918 . . . . 0.0 111.621 -179.388 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 0.992 ' H ' HD23 ' B' ' 83' ' ' LEU . . . -70.86 -26.88 63.46 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.797 -178.135 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 85' ' ' ALA . . . . . 0.945 ' HB1' ' HB3' ' B' ' 126' ' ' LEU . . . -53.39 -23.66 10.26 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.942 0.401 . . . . 0.0 110.405 179.434 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -123.62 -43.28 2.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.71 178.506 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 87' ' ' ARG . . . . . 0.663 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 7.2 ttt85 -61.65 -51.58 67.87 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.298 178.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . 0.716 ' HB3' ' O ' ' B' ' 84' ' ' ALA . . . -60.15 -35.97 76.5 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.495 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 89' ' ' VAL . . . . . 0.633 HG13 ' CD2' ' B' ' 117' ' ' PHE . 55.2 t -59.83 -45.38 94.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.213 179.131 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 6.1 m -70.65 -24.92 62.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.292 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 91' ' ' GLN . . . . . 0.585 HE21 ' HG2' ' B' ' 87' ' ' ARG . 58.4 mt-30 -67.98 -57.52 6.04 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-O 121.308 0.575 . . . . 0.0 109.932 179.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 92' ' ' VAL . . . . . 1.062 HG11 HD22 ' A' ' 18' ' ' LEU . 4.1 t -66.72 -27.85 41.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.088 179.327 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 93' ' ' LEU . . . . . 0.697 HD21 ' HA ' ' B' ' 114' ' ' HIS . 3.8 mt -66.83 -34.66 78.3 Favored 'General case' 0 C--O 1.23 0.077 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.11 179.594 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -89.21 -33.25 17.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.81 0.338 . . . . 0.0 111.355 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 95' ' ' SER . . . . . 0.691 ' HB3' HD21 ' A' ' 33' ' ' LEU . 1.2 m -80.11 -26.1 39.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 112.062 -179.31 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . 0.914 HD22 HD22 ' B' ' 110' ' ' LEU . 0.2 OUTLIER -38.79 -52.16 1.71 Allowed 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 112.55 0.574 . . . . 0.0 112.55 -178.912 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -68.65 -30.32 69.0 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.96 0.409 . . . . 0.0 111.115 -179.148 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . 0.806 ' O ' ' HB3' ' B' ' 101' ' ' ALA . 0.1 OUTLIER -69.49 -35.25 75.37 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 177.905 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 99' ' ' ILE . . . . . 0.497 HG23 HG21 ' B' ' 103' ' ' THR . 42.9 mt -61.0 -49.05 86.34 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.764 0 CA-C-N 114.323 -1.308 . . . . 0.0 109.646 178.368 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 100' ' ' HIS . . . . . 0.934 ' HB2' HD11 ' B' ' 110' ' ' LEU . 1.6 t-160 -57.17 -33.83 67.84 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 178.268 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 101' ' ' ALA . . . . . 0.806 ' HB3' ' O ' ' B' ' 98' ' ' GLU . . . -57.14 -44.4 83.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.519 -1.219 . . . . 0.0 112.058 179.558 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 102' ' ' LEU . . . . . 0.664 HD13 HD23 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -117.16 26.09 10.02 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 -177.409 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 103' ' ' THR . . . . . 0.641 HG23 HD12 ' B' ' 102' ' ' LEU . 41.2 p -141.42 -32.73 0.53 Allowed 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 121.018 -0.273 . . . . 0.0 111.346 179.483 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 1.1 t70 68.79 27.64 5.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.986 0.422 . . . . 0.0 110.331 -179.597 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 105' ' ' SER . . . . . 0.413 ' HB3' ' CE1' ' A' ' 21' ' ' TYR . 67.6 m -51.43 -75.72 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.702 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 167.25 104.09 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.418 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -47.15 -33.22 4.96 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.931 0.396 . . . . 0.0 110.495 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.33 -44.43 79.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.553 178.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 109' ' ' ASP . . . . . 0.617 ' O ' HD12 ' B' ' 113' ' ' LEU . 34.9 m-20 -62.93 -39.83 95.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.689 178.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 110' ' ' LEU . . . . . 0.934 HD11 ' HB2' ' B' ' 100' ' ' HIS . 26.7 mt -59.68 -48.07 83.11 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.589 179.088 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -52.54 -45.11 66.19 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.89 179.525 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 112' ' ' PHE . . . . . 0.478 ' O ' HG23 ' B' ' 116' ' ' VAL . 2.4 t80 -58.83 -43.47 90.71 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.692 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 113' ' ' LEU . . . . . 0.678 HD11 ' CD1' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -71.01 -40.02 72.05 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.082 -179.768 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 114' ' ' HIS . . . . . 0.697 ' HA ' HD21 ' B' ' 93' ' ' LEU . 99.2 m-70 -56.01 -31.89 63.48 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 178.288 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.64 -37.0 57.04 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 178.321 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 116' ' ' VAL . . . . . 0.827 HG11 ' CB ' ' A' ' 14' ' ' ALA . 38.4 t -60.29 -28.15 41.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.942 178.655 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 117' ' ' PHE . . . . . 0.633 ' CD2' HG13 ' B' ' 89' ' ' VAL . 0.6 OUTLIER -96.33 -37.21 10.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.748 -179.859 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 118' ' ' GLN . . . . . 0.404 ' NE2' ' CD1' ' B' ' 93' ' ' LEU . 0.0 OUTLIER -56.56 -31.36 64.12 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.059 -179.735 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -45.67 127.74 7.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.552 -179.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -73.18 -40.1 65.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.681 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -59.34 -35.1 73.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.603 179.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . 0.776 HD22 ' O ' ' B' ' 116' ' ' VAL . 33.9 tp -56.57 -47.71 78.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.466 179.579 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 123' ' ' HIS . . . . . 1.018 ' HA ' HD12 ' B' ' 126' ' ' LEU . 14.0 m170 -55.88 -23.6 32.09 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.097 178.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 124' ' ' THR . . . . . 0.922 HG23 HD12 ' A' ' 63' ' ' LEU . 3.2 m -78.13 -35.43 49.04 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 178.748 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . 1.083 ' HA ' HD11 ' A' ' 52' ' ' LEU . 19.8 mt -71.97 -31.86 66.69 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.166 -0.924 . . . . 0.0 110.354 179.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . 1.018 HD12 ' HA ' ' B' ' 123' ' ' HIS . 5.3 mt -73.02 -46.39 52.3 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.401 -179.431 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -63.24 -46.81 85.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.479 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . 0.971 HD21 ' CD2' ' C' ' 59' ' ' TYR . 11.0 mt -66.74 -39.27 87.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.963 0.411 . . . . 0.0 110.978 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 129' ' ' TYR . . . . . 0.813 ' CE2' HG23 ' A' ' 43' ' ' ILE . 0.6 OUTLIER -55.47 -47.39 76.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.663 -179.887 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 130' ' ' ASP . . . . . 0.525 ' CG ' ' HA ' ' B' ' 82' ' ' LEU . 0.2 OUTLIER -75.41 -40.17 58.09 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.527 -179.524 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 8.4 tppt? -54.59 -52.08 63.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.599 -179.263 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 132' ' ' ILE . . . . . 0.779 ' HB ' HD21 ' A' ' 48' ' ' LEU . 2.4 mt -72.68 -38.62 58.93 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 CA-C-O 120.9 0.381 . . . . 0.0 110.69 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 133' ' ' ASN . . . . . 0.5 ' HB2' HD23 ' A' ' 48' ' ' LEU . 49.1 t30 -59.18 -34.12 71.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.76 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 56.6 m -61.91 -25.89 67.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.033 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 8.4 mttm -110.9 -12.41 14.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.342 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 11.5 t . . . . . 0 C--N 1.33 -0.268 0 CA-C-O 120.697 0.284 . . . . 0.0 111.227 -179.921 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' C' C ' 7' ' ' ARG . . . . . . . . . . . . . 22.4 ttm105 . . . . . 0 N--CA 1.454 -0.25 0 CA-C-O 120.692 0.282 . . . . 0.0 110.45 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.88 -39.25 93.89 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.085 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 48.6 mm-40 -73.82 -25.68 60.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.018 178.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 10' ' ' ASP . . . . . 0.499 ' HB3' HG22 ' D' ' 116' ' ' VAL . 1.0 OUTLIER -80.49 -32.64 36.99 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.337 179.583 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' C' C ' 11' ' ' THR . . . . . 0.509 HG22 ' CE1' ' C' ' 44' ' ' PHE . 1.0 OUTLIER -70.63 -41.59 72.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.451 179.504 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' C' C ' 12' ' ' GLN . . . . . 0.426 ' HA ' HD23 ' C' ' 15' ' ' LEU . 0.7 OUTLIER -71.24 -42.86 68.32 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-O 120.923 0.392 . . . . 0.0 110.31 179.571 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 55.5 ttt180 -67.4 -27.03 66.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.806 179.1 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 14' ' ' ALA . . . . . 0.798 ' CB ' HG11 ' D' ' 116' ' ' VAL . . . -78.6 -51.9 9.23 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.568 178.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 15' ' ' LEU . . . . . 0.791 HD22 ' HB3' ' C' ' 44' ' ' PHE . 0.3 OUTLIER -66.11 -29.5 69.82 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.516 179.525 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' C' C ' 16' ' ' HIS . . . . . . . . . . . . . 48.7 t60 -70.77 -44.87 65.8 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 178.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . 0.668 ' CD1' HD11 ' D' ' 113' ' ' LEU . 3.0 mt -62.81 -36.49 83.34 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.153 -0.931 . . . . 0.0 109.348 178.394 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . 0.809 ' CD2' HG11 ' D' ' 92' ' ' VAL . 37.1 mt -63.83 -41.98 97.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.44 179.718 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 19' ' ' GLU . . . . . 0.575 ' N ' HD11 ' C' ' 41' ' ' ILE . 0.2 OUTLIER -59.09 -44.17 91.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.171 0.51 . . . . 0.0 110.647 179.806 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -70.38 -32.41 70.06 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.353 179.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 21' ' ' TYR . . . . . 0.654 ' O ' ' HB2' ' C' ' 25' ' ' LEU . 14.6 m-30 -70.62 -48.46 54.97 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.884 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 22' ' ' ARG . . . . . 0.431 ' HG3' ' N ' ' C' ' 23' ' ' SER . 0.7 OUTLIER -57.84 -38.59 75.93 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.756 0.312 . . . . 0.0 110.516 179.547 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' C' C ' 23' ' ' SER . . . . . 0.431 ' N ' ' HG3' ' C' ' 22' ' ' ARG . 37.3 m -62.11 -43.95 97.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.945 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 24' ' ' LYS . . . . . 0.404 ' O ' HG22 ' D' ' 103' ' ' THR . 10.4 ptmt -98.16 9.86 41.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.773 -179.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 25' ' ' LEU . . . . . 0.914 HD12 HD11 ' C' ' 37' ' ' ILE . 0.0 OUTLIER -103.89 -66.68 0.94 Allowed 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -179.152 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . 0.543 ' CB ' ' HB2' ' C' ' 34' ' ' ARG . 0.0 OUTLIER -64.87 -15.31 61.76 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 -178.422 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' C' C ' 27' ' ' GLN . . . . . 0.441 ' OE1' ' NH1' ' C' ' 31' ' ' ARG . 0.4 OUTLIER -76.76 57.88 1.35 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.939 0.399 . . . . 0.0 110.788 -179.682 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' C' C ' 28' ' ' THR . . . . . 0.638 HG22 ' O ' ' C' ' 25' ' ' LEU . 8.5 t -176.03 -57.61 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.64 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 29' ' ' GLU . . . . . 0.625 ' N ' HG23 ' C' ' 28' ' ' THR . 11.9 pt-20 -172.34 29.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.982 -0.554 . . . . 0.0 112.113 -178.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 30' ' ' ASP . . . . . 0.417 ' O ' ' HB2' ' C' ' 26' ' ' SER . 0.4 OUTLIER -138.84 44.95 2.03 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.904 0.383 . . . . 0.0 111.405 -179.857 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . 0.45 ' HA ' ' HB2' ' C' ' 26' ' ' SER . 6.6 mmm180 -54.69 -49.29 71.03 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.277 0.56 . . . . 0.0 110.404 179.518 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 24.8 tp60 -55.25 -44.14 75.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.893 179.025 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 33' ' ' LEU . . . . . 0.776 ' CD2' HD11 ' C' ' 25' ' ' LEU . 8.8 tp -57.23 -32.69 66.78 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.931 179.258 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 34' ' ' ARG . . . . . 0.543 ' HB2' ' CB ' ' C' ' 26' ' ' SER . 6.3 ttp180 -60.32 -45.57 92.95 Favored 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 178.312 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 15.9 m -54.79 -38.63 67.54 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.873 -1.058 . . . . 0.0 110.035 178.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 36' ' ' SER . . . . . 0.465 ' OG ' HD12 ' C' ' 33' ' ' LEU . 24.6 p -67.38 -51.75 48.27 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.278 179.253 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 37' ' ' ILE . . . . . 0.914 HD11 HD12 ' C' ' 25' ' ' LEU . 27.3 mt -59.49 -32.27 48.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.822 178.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -66.61 -43.96 83.36 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.655 179.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 39' ' ' ARG . . . . . 0.472 ' HB3' ' CB ' ' D' ' 88' ' ' ALA . 8.5 mtt180 -55.9 -52.42 64.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.081 179.544 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . 0.771 HG12 ' CE2' ' C' ' 44' ' ' PHE . 8.0 t -60.42 -31.2 48.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.448 -0.797 . . . . 0.0 110.252 179.802 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 41' ' ' ILE . . . . . 0.579 HD13 ' O ' ' C' ' 15' ' ' LEU . 1.3 mm -70.22 -58.67 4.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.462 179.606 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 53.7 p -57.59 -48.64 78.82 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-O 121.188 0.518 . . . . 0.0 110.447 -179.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 43' ' ' ILE . . . . . 0.722 HG23 ' CE2' ' D' ' 129' ' ' TYR . 8.6 mt -59.91 -32.01 48.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.127 178.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 44' ' ' PHE . . . . . 0.791 ' HB3' HD22 ' C' ' 15' ' ' LEU . 0.2 OUTLIER -71.86 -58.82 3.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.048 179.798 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' C' C ' 45' ' ' GLN . . . . . 0.516 ' HG2' ' O ' ' C' ' 41' ' ' ILE . 6.5 pt20 -69.25 -9.19 51.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.021 -0.536 . . . . 0.0 112.204 -178.422 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 46' ' ' SER . . . . . 0.431 ' OG ' ' CE1' ' D' ' 129' ' ' TYR . 0.2 OUTLIER -52.33 129.39 28.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.833 0.349 . . . . 0.0 110.652 179.758 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -57.43 -37.95 73.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.633 -179.462 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . 0.748 ' O ' HD12 ' C' ' 48' ' ' LEU . 1.4 tp -67.14 -46.8 72.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.807 0.336 . . . . 0.0 110.096 179.772 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 49' ' ' PHE . . . . . 0.422 ' HZ ' HD11 ' D' ' 122' ' ' LEU . 36.8 t80 -51.55 -39.82 58.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.138 179.41 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 50' ' ' GLN . . . . . 0.424 ' OE1' ' CA ' ' C' ' 50' ' ' GLN . 0.0 OUTLIER -64.61 -42.52 95.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.121 179.3 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.89 -44.12 91.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.843 179.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 52' ' ' LEU . . . . . 0.567 HD21 ' HB3' ' D' ' 128' ' ' LEU . 2.3 mt -61.71 -46.42 89.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.345 179.452 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 53' ' ' ILE . . . . . 0.74 HG12 HD13 ' D' ' 125' ' ' LEU . 43.4 mt -54.84 -34.57 31.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.357 179.346 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -73.21 -32.7 64.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.238 179.282 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 55' ' ' ILE . . . . . 0.692 HG22 ' HB2' ' C' ' 59' ' ' TYR . 43.4 mt -65.74 -35.22 74.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.775 179.55 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 56' ' ' GLN . . . . . 0.773 ' NE2' HD21 ' D' ' 125' ' ' LEU . 0.0 OUTLIER -52.76 -23.21 6.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.542 -179.886 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' C' C ' 57' ' ' GLU . . . . . 0.406 ' O ' ' CD2' ' C' ' 58' ' ' PHE . 77.3 mt-10 -46.72 -37.24 8.15 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.657 -179.672 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 58' ' ' PHE . . . . . 0.406 ' CD2' ' O ' ' C' ' 57' ' ' GLU . 63.3 m-85 -155.44 38.9 0.39 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.792 0.33 . . . . 0.0 111.738 -179.59 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 59' ' ' TYR . . . . . 0.971 ' CD2' HD21 ' B' ' 128' ' ' LEU . 50.0 m-85 -141.15 95.1 2.78 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.758 179.639 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 60' ' ' GLU . . . . . 0.414 ' HB2' ' HB ' ' A' ' 62' ' ' THR . 0.7 OUTLIER -82.98 88.15 6.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.812 179.855 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' C' C ' 61' ' ' VAL . . . . . 0.666 HG23 HG21 ' D' ' 124' ' ' THR . 0.0 OUTLIER -72.6 100.71 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.937 0.399 . . . . 0.0 110.998 -179.884 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' C' C ' 62' ' ' THR . . . . . 0.431 ' O ' HD23 ' C' ' 64' ' ' LEU . 2.6 m -84.78 112.37 20.45 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.633 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 63' ' ' LEU . . . . . 0.433 HD12 HG23 ' D' ' 124' ' ' THR . 0.1 OUTLIER -83.78 131.81 34.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.678 179.707 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' C' C ' 64' ' ' LEU . . . . . 0.675 HD23 ' N ' ' C' ' 64' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.424 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.024 -179.694 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 82' ' ' LEU . . . . . 0.587 HD23 ' O ' ' D' ' 82' ' ' LEU . 8.8 tt . . . . . 0 N--CA 1.447 -0.605 0 CA-C-O 121.459 0.647 . . . . 0.0 109.546 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 83' ' ' LEU . . . . . 0.86 HD23 ' H ' ' D' ' 84' ' ' ALA . 0.8 OUTLIER -72.42 -38.66 68.32 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-N 114.935 -1.029 . . . . 0.0 110.59 179.898 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' D' D ' 84' ' ' ALA . . . . . 0.941 ' HB1' ' HB2' ' D' ' 88' ' ' ALA . . . -109.45 1.82 20.13 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 115.111 -0.949 . . . . 0.0 112.135 -178.26 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 85' ' ' ALA . . . . . 0.9 ' HB1' ' HB3' ' D' ' 126' ' ' LEU . . . -52.93 -24.85 10.16 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 177.742 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 86' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -118.87 -36.75 3.37 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 114.786 -1.097 . . . . 0.0 109.309 177.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 87' ' ' ARG . . . . . 0.87 ' HB2' ' HA ' ' D' ' 84' ' ' ALA . 1.0 OUTLIER -63.06 -56.55 15.98 Favored 'General case' 0 CA--C 1.521 -0.144 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.368 179.079 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' D' D ' 88' ' ' ALA . . . . . 0.941 ' HB2' ' HB1' ' D' ' 84' ' ' ALA . . . -55.75 -32.49 63.45 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.492 -179.647 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 89' ' ' VAL . . . . . 0.785 HG13 ' CD1' ' D' ' 117' ' ' PHE . 68.1 t -68.67 -35.45 70.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.552 178.354 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 1.3 m -75.26 -28.44 59.83 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.78 179.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 91' ' ' GLN . . . . . 0.549 ' NE2' ' HA ' ' D' ' 88' ' ' ALA . 17.7 mt-30 -65.04 -57.22 9.22 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-O 121.31 0.576 . . . . 0.0 109.494 179.199 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 92' ' ' VAL . . . . . 0.809 HG11 ' CD2' ' C' ' 18' ' ' LEU . 11.3 t -65.12 -28.03 43.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.221 179.362 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 93' ' ' LEU . . . . . 0.721 HD21 ' HA ' ' D' ' 114' ' ' HIS . 2.6 mt -68.17 -32.33 72.51 Favored 'General case' 0 C--O 1.23 0.043 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.371 179.783 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -89.04 -34.56 16.75 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.704 -179.266 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 95' ' ' SER . . . . . 0.611 ' CB ' HD11 ' C' ' 33' ' ' LEU . 4.2 m -80.09 -20.13 45.84 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.098 0.407 . . . . 0.0 112.098 -179.278 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 96' ' ' LEU . . . . . 0.914 HD12 ' CD2' ' D' ' 114' ' ' HIS . 0.2 OUTLIER -38.34 -50.56 1.49 Allowed 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -179.3 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 74.4 mt-10 -69.13 -33.23 73.13 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.032 -179.342 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 98' ' ' GLU . . . . . 0.798 ' O ' ' HB3' ' D' ' 101' ' ' ALA . 0.0 OUTLIER -68.64 -34.44 75.73 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 177.941 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' D' D ' 99' ' ' ILE . . . . . 0.513 HG12 ' HG ' ' C' ' 25' ' ' LEU . 20.6 mt -60.63 -49.27 85.15 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.843 0 CA-C-N 114.453 -1.249 . . . . 0.0 109.94 178.699 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 100' ' ' HIS . . . . . 0.793 ' HB2' HD11 ' D' ' 110' ' ' LEU . 12.0 t-160 -54.6 -40.38 68.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 122.137 0.97 . . . . 0.0 108.647 178.17 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 101' ' ' ALA . . . . . 0.798 ' HB3' ' O ' ' D' ' 98' ' ' GLU . . . -51.27 -45.89 62.22 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 113.607 -1.633 . . . . 0.0 111.987 179.606 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 102' ' ' LEU . . . . . 0.742 HD13 HD23 ' C' ' 25' ' ' LEU . 0.4 OUTLIER -117.3 31.84 6.5 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.744 -0.662 . . . . 0.0 112.747 -177.539 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' D' D ' 103' ' ' THR . . . . . 0.657 HG23 HD12 ' D' ' 102' ' ' LEU . 31.0 p -150.36 -31.34 0.19 Allowed 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.67 179.465 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 2.6 t70 66.53 28.34 9.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.099 0.476 . . . . 0.0 110.16 -179.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 105' ' ' SER . . . . . 0.441 ' HB2' ' CZ ' ' C' ' 21' ' ' TYR . 1.2 p -48.14 -81.02 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.022 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 106' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 165.56 107.33 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.177 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 107' ' ' GLU . . . . . 0.681 ' HA ' HD12 ' D' ' 110' ' ' LEU . 10.2 pt-20 -48.35 -37.73 17.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.842 0.353 . . . . 0.0 110.88 -179.66 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.07 -49.0 77.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.091 0.472 . . . . 0.0 109.914 179.246 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 109' ' ' ASP . . . . . 0.728 ' O ' HD12 ' D' ' 113' ' ' LEU . 2.7 m-20 -65.82 -33.36 75.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.884 179.042 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 110' ' ' LEU . . . . . 0.793 HD11 ' HB2' ' D' ' 100' ' ' HIS . 99.6 mt -63.36 -43.74 96.78 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.745 -0.662 . . . . 0.0 109.977 179.289 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 111' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.1 -41.23 97.99 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.359 179.62 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 112' ' ' PHE . . . . . 0.482 ' O ' HG23 ' D' ' 116' ' ' VAL . 1.1 t80 -58.5 -40.95 84.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.22 179.479 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 113' ' ' LEU . . . . . 0.728 HD12 ' O ' ' D' ' 109' ' ' ASP . 0.5 OUTLIER -73.22 -34.09 65.72 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.61 179.824 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' D' D ' 114' ' ' HIS . . . . . 0.914 ' CD2' HD12 ' D' ' 96' ' ' LEU . 37.7 m170 -57.79 -33.41 68.52 Favored 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 177.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 115' ' ' SER . . . . . 0.425 ' HA ' ' HB2' ' D' ' 118' ' ' GLN . 2.8 m -74.54 -39.62 62.22 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.136 178.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 116' ' ' VAL . . . . . 0.825 ' O ' HD22 ' D' ' 122' ' ' LEU . 53.1 t -58.03 -22.99 20.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.232 -0.894 . . . . 0.0 110.003 178.371 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 117' ' ' PHE . . . . . 0.785 ' CD1' HG13 ' D' ' 89' ' ' VAL . 32.0 m-85 -106.49 -30.95 8.76 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.583 -179.465 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 118' ' ' GLN . . . . . 0.44 ' NE2' HD11 ' D' ' 93' ' ' LEU . 0.0 OUTLIER -61.42 -32.88 72.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.359 -179.207 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -47.24 123.17 5.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.379 -179.681 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 120' ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -68.58 -44.43 74.41 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.795 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 121' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -55.74 -33.38 64.22 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.704 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 122' ' ' LEU . . . . . 0.837 HD12 HD12 ' D' ' 125' ' ' LEU . 37.2 tp -55.46 -48.53 74.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.651 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 123' ' ' HIS . . . . . 0.982 ' HA ' HD12 ' D' ' 126' ' ' LEU . 0.0 OUTLIER -53.64 -25.16 16.56 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.013 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' D' D ' 124' ' ' THR . . . . . 0.666 HG21 HG23 ' C' ' 61' ' ' VAL . 1.3 m -77.63 -35.28 52.81 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.532 178.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 125' ' ' LEU . . . . . 0.837 HD12 HD12 ' D' ' 122' ' ' LEU . 7.9 mt -72.7 -31.58 65.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.665 178.618 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 126' ' ' LEU . . . . . 0.982 HD12 ' HA ' ' D' ' 123' ' ' HIS . 3.9 mt -73.54 -49.99 23.66 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.599 -179.594 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 127' ' ' ASP . . . . . 0.438 ' OD1' ' N ' ' D' ' 128' ' ' LEU . 6.4 p30 -67.84 -33.77 75.41 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.243 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 128' ' ' LEU . . . . . 0.848 HD21 ' CD2' ' A' ' 59' ' ' TYR . 46.6 mt -75.19 -34.16 61.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.07 0.462 . . . . 0.0 110.478 179.715 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 129' ' ' TYR . . . . . 0.722 ' CE2' HG23 ' C' ' 43' ' ' ILE . 0.2 OUTLIER -62.55 -50.67 70.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.866 -179.571 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' D' D ' 130' ' ' ASP . . . . . 0.417 ' HB3' ' HB2' ' D' ' 82' ' ' LEU . 1.4 t70 -75.27 -27.78 59.53 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.736 -0.386 . . . . 0.0 111.261 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 131' ' ' LYS . . . . . . . . . . . . . 10.4 tttm -58.68 -53.58 56.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.85 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 132' ' ' ILE . . . . . 0.634 ' HB ' HD21 ' C' ' 48' ' ' LEU . 4.0 mt -72.64 -37.44 56.12 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.294 0 CA-C-O 121.079 0.466 . . . . 0.0 110.425 179.623 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 133' ' ' ASN . . . . . 0.447 ' HB2' HD23 ' C' ' 48' ' ' LEU . 39.4 t-20 . . . . . 0 N--CA 1.453 -0.314 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.631 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.475 ' HD3' HG22 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -63.3 -39.64 95.13 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 121.249 0.547 . . . . 0.0 109.725 179.147 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 57.7 mm-40 -76.84 -28.4 55.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.151 179.107 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.804 ' HB3' HG22 ' B' ' 116' ' ' VAL . 0.8 OUTLIER -79.19 -29.89 43.14 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.434 179.636 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.58 HG22 ' CE1' ' A' ' 44' ' ' PHE . 1.5 p -74.12 -43.84 56.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.46 179.581 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.474 ' HA ' HD23 ' A' ' 15' ' ' LEU . 0.7 OUTLIER -69.79 -38.31 76.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.22 179.683 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -74.88 -24.47 58.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.101 179.022 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.906 ' CB ' HG11 ' B' ' 116' ' ' VAL . . . -78.63 -51.47 9.84 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.796 179.144 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.773 ' O ' HD12 ' A' ' 41' ' ' ILE . 0.4 OUTLIER -64.81 -28.71 69.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.888 179.734 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 55.4 t60 -73.49 -44.54 57.65 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 179.073 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.91 HD22 ' CE1' ' A' ' 21' ' ' TYR . 1.3 mt -61.66 -46.57 89.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.936 179.143 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.693 ' HB3' HG23 ' A' ' 37' ' ' ILE . 11.6 mt -59.28 -37.24 77.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.614 179.639 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.447 ' CG ' HG21 ' A' ' 41' ' ' ILE . 9.6 mt-10 -59.9 -48.2 82.66 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.292 0.568 . . . . 0.0 110.443 179.374 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.63 -31.12 70.92 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.468 178.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.91 ' CE1' HD22 ' A' ' 17' ' ' LEU . 7.2 m-30 -67.16 -49.07 66.05 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.769 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.476 ' HA ' HD12 ' A' ' 37' ' ' ILE . 6.2 ptm180 -58.9 -32.64 69.71 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 178.506 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.5 p -58.07 -54.7 44.02 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.912 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.724 ' HZ3' ' HA ' ' A' ' 21' ' ' TYR . 0.0 OUTLIER -100.06 6.35 45.01 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.109 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.962 HD12 HD11 ' A' ' 37' ' ' ILE . 0.0 OUTLIER -93.35 -58.81 2.19 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.59 0.233 . . . . 0.0 111.214 179.583 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.495 ' HB2' ' HB2' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -69.92 -16.06 63.16 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.027 0.38 . . . . 0.0 112.027 -178.852 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.419 ' OE1' ' NH1' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -75.2 57.99 0.9 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.98 0.419 . . . . 0.0 110.802 -179.907 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.622 HG23 ' N ' ' A' ' 29' ' ' GLU . 7.6 t -174.67 -58.49 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.799 -179.66 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.622 ' N ' HG23 ' A' ' 28' ' ' THR . 12.0 pt-20 -171.0 29.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.06 -0.518 . . . . 0.0 112.307 -178.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.552 ' HB2' HD22 ' A' ' 25' ' ' LEU . 2.6 m-20 -139.18 43.46 2.04 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.773 0.32 . . . . 0.0 111.53 -179.788 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.419 ' NH1' ' OE1' ' A' ' 27' ' ' GLN . 8.6 mmm180 -54.9 -46.21 74.8 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.289 0.566 . . . . 0.0 110.182 179.383 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -56.76 -46.43 81.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.762 -0.653 . . . . 0.0 109.661 178.756 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.657 HD21 ' HB3' ' B' ' 95' ' ' SER . 5.4 tp -55.96 -30.77 62.22 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.763 178.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.495 ' HB2' ' HB2' ' A' ' 26' ' ' SER . 0.2 OUTLIER -60.67 -49.85 75.86 Favored 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 178.579 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.6 t -54.7 -35.47 63.67 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.797 178.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.509 ' HB2' HG22 ' B' ' 92' ' ' VAL . 1.1 m -65.57 -51.67 58.06 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.079 178.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.962 HD11 HD12 ' A' ' 25' ' ' LEU . 66.4 mt -57.01 -44.03 82.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.756 179.028 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.64 -42.37 71.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.481 -0.782 . . . . 0.0 110.757 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.504 ' HB2' ' HB1' ' B' ' 88' ' ' ALA . 3.5 mtt180 -56.08 -52.63 63.6 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-O 121.269 0.557 . . . . 0.0 109.929 179.109 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.738 HG12 ' CD2' ' A' ' 44' ' ' PHE . 3.7 t -60.29 -32.83 51.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.256 -0.883 . . . . 0.0 110.644 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.773 HD12 ' O ' ' A' ' 15' ' ' LEU . 4.7 mm -70.94 -53.1 22.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.575 179.793 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.9 p -63.26 -48.45 78.15 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-O 120.946 0.403 . . . . 0.0 110.689 -179.435 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 7.1 mt -59.71 -33.28 51.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.119 179.215 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.738 ' CD2' HG12 ' A' ' 40' ' ' VAL . 0.3 OUTLIER -72.33 -56.17 5.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.945 -0.57 . . . . 0.0 112.121 179.648 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.409 ' NE2' HG22 ' A' ' 41' ' ' ILE . 5.3 pt20 -82.39 4.29 24.64 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 -178.17 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 p -50.39 173.6 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.71 0.29 . . . . 0.0 110.605 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -87.24 -38.16 16.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.849 0.357 . . . . 0.0 111.197 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.806 ' O ' HD12 ' A' ' 48' ' ' LEU . 1.4 tp -79.68 -43.94 21.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.682 -179.574 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.402 ' CE1' ' HB2' ' B' ' 125' ' ' LEU . 28.4 t80 -50.98 -56.28 13.2 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.609 0.242 . . . . 0.0 111.403 -179.356 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -53.94 -37.29 63.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.812 0.339 . . . . 0.0 110.579 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.556 ' CB ' HG23 ' D' ' 132' ' ' ILE . . . -58.87 -47.31 85.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.404 179.504 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.416 HD13 ' O ' ' B' ' 125' ' ' LEU . 2.3 mt -59.05 -45.65 90.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.305 179.418 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.88 HG12 HD13 ' B' ' 125' ' ' LEU . 28.5 mt -56.17 -34.0 38.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.724 179.707 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -73.17 -34.76 66.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.316 179.393 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.837 HG22 ' HB2' ' A' ' 59' ' ' TYR . 90.1 mt -65.67 -41.83 91.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.774 179.732 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.782 ' NE2' HD21 ' B' ' 125' ' ' LEU . 2.3 tt0 -52.26 -23.72 6.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.524 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.403 ' O ' ' CD2' ' A' ' 58' ' ' PHE . 34.1 mt-10 -47.48 -30.04 3.15 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.706 0.289 . . . . 0.0 111.246 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.403 ' CD2' ' O ' ' A' ' 57' ' ' GLU . 61.6 m-85 -157.54 26.91 0.29 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.425 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.868 ' CD2' HD21 ' D' ' 128' ' ' LEU . 26.4 m-85 -135.41 74.51 1.52 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.585 179.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -62.55 95.9 0.08 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.828 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.475 HG23 HG21 ' B' ' 124' ' ' THR . 0.0 OUTLIER -72.83 96.81 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.973 0.416 . . . . 0.0 110.648 179.86 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.2 m -77.82 120.28 22.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.809 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.751 HD11 ' CE2' ' C' ' 59' ' ' TYR . 0.0 OUTLIER -92.16 126.11 37.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.418 179.494 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.638 ' N ' HD23 ' A' ' 64' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.515 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.005 -179.712 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . 0.763 HD23 ' O ' ' B' ' 82' ' ' LEU . 8.8 tt . . . . . 0 N--CA 1.45 -0.443 0 CA-C-O 121.21 0.529 . . . . 0.0 110.044 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . 0.984 HD23 ' H ' ' B' ' 84' ' ' ALA . 0.7 OUTLIER -76.19 -40.36 52.57 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.286 -179.489 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 0.984 ' H ' HD23 ' B' ' 83' ' ' LEU . . . -81.98 -20.95 37.47 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.551 -0.75 . . . . 0.0 112.5 -178.23 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 85' ' ' ALA . . . . . 0.907 ' HB1' ' HB3' ' B' ' 126' ' ' LEU . . . -52.31 -23.25 5.5 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.213 -0.595 . . . . 0.0 110.092 179.63 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.12 -38.31 2.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.888 178.581 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 87' ' ' ARG . . . . . 0.685 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 38.8 ttt85 -67.42 -43.02 82.23 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.593 179.397 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . 0.957 ' HB2' ' HB1' ' B' ' 84' ' ' ALA . . . -70.05 -40.46 75.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.897 -179.757 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 89' ' ' VAL . . . . . 0.592 HG12 ' HB3' ' B' ' 117' ' ' PHE . 39.3 t -70.76 -37.99 71.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.546 179.523 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 13.8 t -76.2 -40.92 51.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.385 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 91' ' ' GLN . . . . . 0.444 ' NE2' ' HA ' ' B' ' 88' ' ' ALA . 6.2 pt20 -66.02 -49.38 67.94 Favored 'General case' 0 CA--C 1.52 -0.196 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 92' ' ' VAL . . . . . 0.64 HG23 ' O ' ' B' ' 88' ' ' ALA . 51.3 t -66.29 -27.83 41.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.426 177.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 93' ' ' LEU . . . . . 0.736 HD21 ' HA ' ' B' ' 114' ' ' HIS . 1.7 mt -61.17 -43.53 98.74 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.133 179.451 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -78.13 -27.29 48.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.987 -179.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 95' ' ' SER . . . . . 0.657 ' HB3' HD21 ' A' ' 33' ' ' LEU . 6.8 m -79.63 -24.58 41.81 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.616 -179.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . 0.913 HD22 HD22 ' B' ' 110' ' ' LEU . 0.2 OUTLIER -38.84 -52.32 1.74 Allowed 'General case' 0 N--CA 1.464 0.275 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 -179.379 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 -68.87 -28.48 66.74 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.174 -179.269 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . 0.761 ' O ' ' HB3' ' B' ' 101' ' ' ALA . 0.2 OUTLIER -70.08 -36.65 75.08 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.842 -1.17 . . . . 0.0 107.842 177.605 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 99' ' ' ILE . . . . . 0.583 ' O ' HG23 ' B' ' 103' ' ' THR . 38.9 mt -59.09 -47.43 90.1 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.675 0 CA-C-N 114.39 -1.277 . . . . 0.0 109.861 178.264 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 100' ' ' HIS . . . . . 0.888 ' HB2' HD11 ' B' ' 110' ' ' LEU . 2.0 t-160 -60.36 -33.87 73.05 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 178.414 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 101' ' ' ALA . . . . . 0.761 ' HB3' ' O ' ' B' ' 98' ' ' GLU . . . -57.26 -41.64 80.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.599 -1.182 . . . . 0.0 112.041 179.611 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 102' ' ' LEU . . . . . 0.772 HD13 HD23 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -119.22 30.62 7.03 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -177.244 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 103' ' ' THR . . . . . 0.61 HG23 HD12 ' B' ' 102' ' ' LEU . 32.4 p -146.37 -36.15 0.26 Allowed 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.896 -0.321 . . . . 0.0 111.387 179.598 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 2.0 t0 73.72 27.34 1.75 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.986 0.422 . . . . 0.0 110.474 -179.393 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 1.9 m -52.19 -78.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.896 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 168.42 108.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.406 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -48.58 -32.6 8.36 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.726 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 4.7 tptt -67.1 -44.36 80.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.91 179.152 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 109' ' ' ASP . . . . . 0.729 ' O ' HD12 ' B' ' 113' ' ' LEU . 7.1 m-20 -65.74 -34.17 77.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.053 179.159 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 110' ' ' LEU . . . . . 0.913 HD22 HD22 ' B' ' 96' ' ' LEU . 14.0 mt -63.94 -45.5 88.9 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.223 179.403 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.77 -39.87 90.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.51 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 112' ' ' PHE . . . . . 0.519 ' O ' HG23 ' B' ' 116' ' ' VAL . 0.6 OUTLIER -60.49 -44.64 95.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.7 179.825 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 113' ' ' LEU . . . . . 0.734 HD11 ' CD1' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -70.58 -31.97 69.18 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.164 -179.639 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 114' ' ' HIS . . . . . 0.736 ' HA ' HD21 ' B' ' 93' ' ' LEU . 0.0 OUTLIER -62.25 -37.95 87.41 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 178.784 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 3.0 m -71.83 -35.78 70.0 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 178.146 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 116' ' ' VAL . . . . . 0.906 HG11 ' CB ' ' A' ' 14' ' ' ALA . 41.7 t -64.41 -23.12 32.67 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 CA-C-N 115.189 -0.914 . . . . 0.0 109.629 178.001 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 117' ' ' PHE . . . . . 0.592 ' HB3' HG12 ' B' ' 89' ' ' VAL . 7.4 m-30 -104.19 -22.54 13.38 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.699 -179.634 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 118' ' ' GLN . . . . . 0.425 ' HB2' ' O ' ' B' ' 114' ' ' HIS . 0.0 OUTLIER -77.94 -32.56 51.6 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.695 0.283 . . . . 0.0 111.39 -179.463 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -41.59 118.42 1.07 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.836 -179.258 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 120' ' ' GLN . . . . . 0.455 ' O ' ' CD2' ' B' ' 123' ' ' HIS . 0.0 OUTLIER -59.85 -41.37 91.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.514 179.734 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 31.6 m-70 -55.51 -33.51 63.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.335 179.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . 0.845 HD22 ' O ' ' B' ' 116' ' ' VAL . 36.8 tp -55.93 -48.99 74.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.062 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 123' ' ' HIS . . . . . 0.938 ' HA ' HD12 ' B' ' 126' ' ' LEU . 0.1 OUTLIER -56.78 -26.02 56.67 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.928 0.394 . . . . 0.0 110.094 179.515 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 124' ' ' THR . . . . . 0.475 HG21 HG23 ' A' ' 61' ' ' VAL . 2.7 m -72.89 -37.45 67.27 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 178.785 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . 0.88 HD13 HG12 ' A' ' 53' ' ' ILE . 2.4 mt -72.62 -32.75 66.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.438 178.448 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . 0.938 HD12 ' HA ' ' B' ' 123' ' ' HIS . 10.5 mt -72.22 -48.71 40.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.935 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -62.87 -53.29 56.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.059 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . 0.869 HD21 ' CD2' ' C' ' 59' ' ' TYR . 19.0 mt -61.28 -37.33 82.79 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.748 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 129' ' ' TYR . . . . . 0.522 ' O ' HD23 ' A' ' 48' ' ' LEU . 3.4 t80 -55.92 -51.03 69.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.7 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 130' ' ' ASP . . . . . 0.501 ' CG ' ' HA ' ' B' ' 82' ' ' LEU . 10.2 m-20 -76.09 -33.81 59.51 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.291 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.94 -53.91 49.46 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.064 -179.735 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 132' ' ' ILE . . . . . 0.81 HG21 HD13 ' C' ' 48' ' ' LEU . 2.3 mt -73.4 -38.76 53.95 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.425 0 CA-C-O 121.048 0.451 . . . . 0.0 110.685 179.644 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 133' ' ' ASN . . . . . 0.462 ' HB2' HD23 ' A' ' 48' ' ' LEU . 20.7 t-20 -59.91 -29.53 68.42 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.88 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 134' ' ' THR . . . . . 0.537 HG22 ' O ' ' B' ' 134' ' ' THR . 85.5 m -89.72 3.5 52.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.323 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 1.8 mmtt 76.55 -0.16 3.09 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.64 -0.254 . . . . 0.0 111.494 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--N 1.328 -0.344 0 CA-C-O 120.815 0.34 . . . . 0.0 110.754 -179.993 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' C' C ' 7' ' ' ARG . . . . . 0.474 ' HA ' ' OD2' ' C' ' 10' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 110.217 -0.29 . . . . 0.0 110.217 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.51 -33.24 74.5 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-O 120.989 0.423 . . . . 0.0 110.148 179.177 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 58.5 mm-40 -77.24 -32.53 55.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.698 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 10' ' ' ASP . . . . . 0.478 ' OD1' ' N ' ' C' ' 11' ' ' THR . 11.1 p30 -80.96 -28.25 35.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.115 0.483 . . . . 0.0 109.877 179.15 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 11' ' ' THR . . . . . 0.642 HG23 ' CE2' ' C' ' 44' ' ' PHE . 65.1 m -68.93 -47.05 66.7 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.184 179.256 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.45 -46.71 72.27 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-O 120.971 0.415 . . . . 0.0 110.27 179.345 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 16.8 tpp85 -64.24 -24.03 67.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.174 179.187 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 14' ' ' ALA . . . . . 0.77 ' CB ' HG11 ' D' ' 116' ' ' VAL . . . -78.19 -55.99 4.82 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 179.094 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 15' ' ' LEU . . . . . 0.836 ' HA ' HD12 ' C' ' 18' ' ' LEU . 0.4 OUTLIER -63.84 -28.16 69.67 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.468 178.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' C' C ' 16' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -67.43 -46.66 72.49 Favored 'General case' 0 CA--C 1.517 -0.322 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 178.422 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . 0.931 HD22 ' CZ ' ' C' ' 21' ' ' TYR . 2.4 mt -63.96 -35.14 79.7 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.183 178.272 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . 0.836 HD12 ' HA ' ' C' ' 15' ' ' LEU . 36.4 mt -63.81 -44.24 93.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.484 179.375 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.54 -38.58 84.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.792 -179.745 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -75.76 -34.54 60.26 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.45 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 21' ' ' TYR . . . . . 0.931 ' CZ ' HD22 ' C' ' 17' ' ' LEU . 18.7 m-85 -69.84 -47.67 61.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.563 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 22' ' ' ARG . . . . . 0.445 ' HB2' ' HG3' ' C' ' 34' ' ' ARG . 20.9 ptt85 -58.69 -48.1 82.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.344 179.478 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 40.5 t -54.84 -40.67 69.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.823 179.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 24' ' ' LYS . . . . . . . . . . . . . 8.8 ptmt -96.88 6.26 48.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.606 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 25' ' ' LEU . . . . . 0.796 HD11 HG12 ' D' ' 99' ' ' ILE . 0.2 OUTLIER -91.85 -56.8 2.95 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -179.174 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . 0.68 ' HB2' ' HD2' ' C' ' 31' ' ' ARG . 80.9 p -63.75 -28.37 69.83 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.181 -0.463 . . . . 0.0 112.179 -178.387 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 27' ' ' GLN . . . . . 0.441 ' OE1' ' NH1' ' C' ' 31' ' ' ARG . 0.3 OUTLIER -70.48 56.4 0.17 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.972 0.415 . . . . 0.0 111.57 -178.802 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' C' C ' 28' ' ' THR . . . . . 0.671 HG23 ' H ' ' C' ' 29' ' ' GLU . 9.1 t -177.23 -61.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.511 179.454 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 29' ' ' GLU . . . . . 0.671 ' H ' HG23 ' C' ' 28' ' ' THR . 12.8 pt-20 -177.63 28.76 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.565 -179.387 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 30' ' ' ASP . . . . . 0.491 ' HB2' HD22 ' C' ' 25' ' ' LEU . 4.2 m-20 -136.69 49.55 2.06 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.915 0.388 . . . . 0.0 110.405 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . 0.68 ' HD2' ' HB2' ' C' ' 26' ' ' SER . 14.1 mmm180 -65.59 -47.35 76.05 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.456 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -59.45 -45.75 90.72 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.21 0.529 . . . . 0.0 109.776 178.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 33' ' ' LEU . . . . . 0.808 HD11 ' OG ' ' D' ' 95' ' ' SER . 13.2 tp -58.61 -32.22 68.79 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.325 179.269 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 34' ' ' ARG . . . . . 0.63 ' HB2' ' HB3' ' C' ' 26' ' ' SER . 9.6 ttt180 -63.39 -38.95 93.11 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.798 -0.815 . . . . 0.0 108.798 178.442 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 21.0 t -59.89 -40.63 89.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.31 178.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 36' ' ' SER . . . . . 0.6 ' HB3' ' NE2' ' D' ' 91' ' ' GLN . 0.1 OUTLIER -64.33 -51.27 64.24 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.103 0.478 . . . . 0.0 110.247 179.38 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' C' C ' 37' ' ' ILE . . . . . 0.792 ' CD1' HD12 ' C' ' 25' ' ' LEU . 58.4 mt -57.62 -37.47 58.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.392 0.615 . . . . 0.0 109.736 178.618 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -61.4 -52.24 65.42 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.012 -0.994 . . . . 0.0 112.733 -179.08 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 39' ' ' ARG . . . . . 0.528 ' HG2' ' O ' ' C' ' 36' ' ' SER . 6.9 ptp180 -58.45 -39.54 80.15 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.12 -0.632 . . . . 0.0 110.394 -179.359 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . 0.442 HG21 HG21 ' D' ' 92' ' ' VAL . 61.8 t -60.76 -36.15 69.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 121.036 0.446 . . . . 0.0 109.88 178.065 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 41' ' ' ILE . . . . . 0.716 HG12 ' O ' ' C' ' 37' ' ' ILE . 19.3 mm -61.27 -61.62 1.5 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.695 179.788 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 11.7 t -52.62 -46.66 67.12 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-O 121.113 0.482 . . . . 0.0 110.646 -179.21 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 43' ' ' ILE . . . . . 0.659 HG21 HD23 ' D' ' 126' ' ' LEU . 5.5 mt -61.06 -34.14 58.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.007 179.061 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 44' ' ' PHE . . . . . 0.807 ' HB3' HD22 ' C' ' 15' ' ' LEU . 1.3 m-85 -72.33 -56.52 5.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.931 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 45' ' ' GLN . . . . . 0.402 ' HG2' ' O ' ' C' ' 41' ' ' ILE . 4.9 pt20 -79.77 0.25 31.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.846 -179.16 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 46' ' ' SER . . . . . 0.414 ' OG ' ' CZ ' ' D' ' 129' ' ' TYR . 0.3 OUTLIER -51.81 139.48 21.59 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.83 0.348 . . . . 0.0 110.995 -179.872 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.03 -37.72 74.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.409 -179.563 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . 0.81 HD13 HG21 ' B' ' 132' ' ' ILE . 3.1 tp -79.09 -41.81 27.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.267 -179.631 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 49' ' ' PHE . . . . . 0.429 ' CE1' ' HB2' ' D' ' 125' ' ' LEU . 75.9 t80 -51.21 -53.66 32.91 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.836 0.351 . . . . 0.0 111.14 -179.735 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -57.6 -37.05 72.59 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.511 179.621 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.71 -42.3 88.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.168 179.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 52' ' ' LEU . . . . . 0.549 HD21 ' HB3' ' D' ' 128' ' ' LEU . 0.9 OUTLIER -62.28 -43.69 98.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.956 179.058 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 18.7 mt -53.16 -40.86 40.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.499 179.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -68.55 -36.38 78.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.339 179.23 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 55' ' ' ILE . . . . . 0.65 HG22 ' HB2' ' C' ' 59' ' ' TYR . 76.1 mt -60.51 -44.1 95.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.632 179.508 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 56' ' ' GLN . . . . . 0.525 ' CD ' HD21 ' D' ' 125' ' ' LEU . 5.6 mt-30 -53.07 -23.55 7.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.502 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 57' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -47.27 -31.0 3.42 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.431 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 58' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -157.36 24.23 0.3 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.65 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 59' ' ' TYR . . . . . 0.869 ' CD2' HD21 ' B' ' 128' ' ' LEU . 16.8 m-85 -134.16 73.83 1.51 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.812 0.339 . . . . 0.0 110.724 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -61.62 98.81 0.1 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.795 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 61' ' ' VAL . . . . . 0.471 HG11 HD11 ' D' ' 128' ' ' LEU . 0.0 OUTLIER -72.77 100.14 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.885 0.374 . . . . 0.0 111.057 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' C' C ' 62' ' ' THR . . . . . . . . . . . . . 4.3 m -84.71 117.0 23.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.585 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 63' ' ' LEU . . . . . 0.546 HD11 ' CZ ' ' A' ' 59' ' ' TYR . 0.1 OUTLIER -91.82 129.66 37.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' C' C ' 64' ' ' LEU . . . . . 0.712 HD23 ' N ' ' C' ' 64' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.011 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 82' ' ' LEU . . . . . 0.736 HD21 ' HG2' ' D' ' 131' ' ' LYS . 1.1 mp . . . . . 0 CA--C 1.52 -0.186 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 83' ' ' LEU . . . . . 0.806 HD23 ' H ' ' D' ' 84' ' ' ALA . 0.7 OUTLIER -59.94 -36.6 77.42 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 114.817 -1.083 . . . . 0.0 110.462 179.398 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' D' D ' 84' ' ' ALA . . . . . 0.946 ' HB1' ' HB2' ' D' ' 88' ' ' ALA . . . -115.31 2.01 13.89 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.303 -0.862 . . . . 0.0 112.653 -177.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 85' ' ' ALA . . . . . 0.905 ' HB1' ' HB2' ' D' ' 126' ' ' LEU . . . -53.17 -26.11 16.07 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 177.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 86' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -118.72 -37.13 3.32 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 114.683 -1.144 . . . . 0.0 109.039 177.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 87' ' ' ARG . . . . . 0.792 ' HB2' ' HA ' ' D' ' 84' ' ' ALA . 0.1 OUTLIER -60.85 -57.1 14.08 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.043 178.896 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' D' D ' 88' ' ' ALA . . . . . 0.946 ' HB2' ' HB1' ' D' ' 84' ' ' ALA . . . -56.58 -42.36 78.52 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.697 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 89' ' ' VAL . . . . . 0.701 HG13 ' CD1' ' D' ' 117' ' ' PHE . 34.2 t -64.11 -32.48 57.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.104 179.065 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 8.5 p -76.45 -26.77 55.78 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.91 179.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 91' ' ' GLN . . . . . 0.656 ' HG3' ' O ' ' D' ' 87' ' ' ARG . 9.0 mt-30 -65.87 -55.02 19.19 Favored 'General case' 0 CA--C 1.513 -0.472 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 179.112 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 92' ' ' VAL . . . . . 0.764 HG11 ' CD2' ' C' ' 18' ' ' LEU . 3.5 t -66.07 -28.46 43.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.036 -0.983 . . . . 0.0 110.239 179.436 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 93' ' ' LEU . . . . . 0.589 HD21 ' HA ' ' D' ' 114' ' ' HIS . 1.2 mt -73.47 -26.78 61.07 Favored 'General case' 0 C--O 1.23 0.077 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.301 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -87.14 -43.55 12.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.858 0.361 . . . . 0.0 110.859 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 95' ' ' SER . . . . . 0.808 ' OG ' HD11 ' C' ' 33' ' ' LEU . 8.9 p -80.07 -13.18 59.5 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.899 -179.667 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 96' ' ' LEU . . . . . 0.869 HD22 HD22 ' D' ' 110' ' ' LEU . 0.2 OUTLIER -40.4 -52.24 2.75 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -179.178 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -68.69 -28.11 66.56 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.126 -179.345 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 98' ' ' GLU . . . . . 0.794 ' OE2' HD21 ' D' ' 102' ' ' LEU . 0.0 OUTLIER -70.96 -36.16 72.45 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.861 -1.162 . . . . 0.0 107.861 178.118 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' D' D ' 99' ' ' ILE . . . . . 0.796 HG12 HD11 ' C' ' 25' ' ' LEU . 72.4 mt -59.24 -49.21 84.27 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.683 0 CA-C-N 114.6 -1.182 . . . . 0.0 109.646 178.364 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 100' ' ' HIS . . . . . 0.806 ' HB2' HD11 ' D' ' 110' ' ' LEU . 1.9 t-160 -57.51 -35.98 70.95 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 178.652 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 101' ' ' ALA . . . . . 0.768 ' HB3' ' O ' ' D' ' 98' ' ' GLU . . . -54.69 -43.58 72.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 114.471 -1.24 . . . . 0.0 111.945 179.446 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 102' ' ' LEU . . . . . 0.794 HD21 ' OE2' ' D' ' 98' ' ' GLU . 0.3 OUTLIER -118.18 31.77 6.51 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.673 -0.694 . . . . 0.0 112.628 -177.497 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' D' D ' 103' ' ' THR . . . . . 0.63 HG23 HD12 ' D' ' 102' ' ' LEU . 35.1 p -148.71 -29.16 0.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 4.5 t70 75.84 21.8 1.57 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.171 0.51 . . . . 0.0 110.497 -179.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 105' ' ' SER . . . . . 0.461 ' CB ' ' CE1' ' C' ' 21' ' ' TYR . 37.4 p -56.73 -22.9 38.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.012 179.476 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 106' ' ' SER . . . . . . . . . . . . . 1.1 t 80.35 123.51 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.437 -179.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -51.84 -24.18 5.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.198 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 30.5 mmtm -60.05 -55.31 35.5 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.979 0.418 . . . . 0.0 110.235 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 109' ' ' ASP . . . . . 0.659 ' O ' HD12 ' D' ' 113' ' ' LEU . 6.9 m-20 -63.22 -34.6 78.01 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.774 179.03 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 110' ' ' LEU . . . . . 0.869 HD22 HD22 ' D' ' 96' ' ' LEU . 46.8 mt -64.98 -42.54 94.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.287 179.296 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 111' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.3 -44.83 92.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.638 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 112' ' ' PHE . . . . . 0.409 ' O ' HG23 ' D' ' 116' ' ' VAL . 0.4 OUTLIER -58.98 -47.3 85.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.389 179.751 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' D' D ' 113' ' ' LEU . . . . . 0.691 HD11 ' CD1' ' C' ' 17' ' ' LEU . 0.5 OUTLIER -69.28 -33.88 73.87 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.179 179.687 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' D' D ' 114' ' ' HIS . . . . . 0.759 ' CD2' HD12 ' D' ' 96' ' ' LEU . 6.6 m-70 -54.99 -40.16 69.81 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 178.703 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 115' ' ' SER . . . . . 0.477 ' HA ' ' HB2' ' D' ' 118' ' ' GLN . 8.4 p -73.48 -36.81 65.86 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.617 178.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 116' ' ' VAL . . . . . 0.823 ' O ' HD22 ' D' ' 122' ' ' LEU . 40.9 t -56.43 -24.78 19.33 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.135 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.645 178.586 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 117' ' ' PHE . . . . . 0.811 ' HZ ' HD11 ' C' ' 18' ' ' LEU . 50.9 m-85 -105.53 -19.97 13.62 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.106 179.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 118' ' ' GLN . . . . . 0.543 HE22 HD13 ' D' ' 93' ' ' LEU . 6.5 mm-40 -62.44 -41.35 98.67 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.944 0.402 . . . . 0.0 110.551 179.619 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -45.32 133.3 7.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.945 -179.091 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 120' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -77.03 -42.24 39.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.259 179.425 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 121' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -55.73 -33.43 64.23 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.426 179.323 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 122' ' ' LEU . . . . . 0.908 ' O ' HD12 ' D' ' 126' ' ' LEU . 25.0 tp -55.66 -50.05 71.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.047 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 123' ' ' HIS . . . . . 0.451 ' HA ' HD13 ' D' ' 126' ' ' LEU . 0.0 OUTLIER -52.1 -26.74 11.86 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.225 179.026 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' D' D ' 124' ' ' THR . . . . . 0.424 ' N ' ' CD2' ' D' ' 123' ' ' HIS . 7.1 m -75.7 -35.34 60.32 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.734 179.232 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 125' ' ' LEU . . . . . 0.525 HD21 ' CD ' ' C' ' 56' ' ' GLN . 16.4 mt -63.36 -45.19 92.3 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.684 179.518 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 126' ' ' LEU . . . . . 0.908 HD12 ' O ' ' D' ' 122' ' ' LEU . 3.3 mp -67.81 -45.47 74.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.168 -179.71 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 127' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -63.37 -49.0 75.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.214 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 128' ' ' LEU . . . . . 0.868 HD21 ' CD2' ' A' ' 59' ' ' TYR . 76.6 mt -60.92 -46.7 89.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.92 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 129' ' ' TYR . . . . . 0.483 ' O ' HD23 ' C' ' 48' ' ' LEU . 0.1 OUTLIER -58.39 -50.74 72.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.154 -179.627 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' D' D ' 130' ' ' ASP . . . . . 0.405 ' OD1' ' CE2' ' D' ' 129' ' ' TYR . 47.3 m-20 -74.04 -17.0 61.03 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.168 -179.754 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 131' ' ' LYS . . . . . 0.736 ' HG2' HD21 ' D' ' 82' ' ' LEU . 0.2 OUTLIER -75.1 -46.14 36.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.909 0.385 . . . . 0.0 110.473 179.422 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' D' D ' 132' ' ' ILE . . . . . 0.556 HG23 ' CB ' ' A' ' 51' ' ' ALA . 2.8 mt -75.47 -35.34 32.17 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.899 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 133' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 . . . . . 0 C--N 1.326 -0.43 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.543 -179.417 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.196 0 CA-C-O 120.35 0.119 . . . . 0.0 110.698 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -66.19 -35.78 81.34 Favored 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 109.597 -0.519 . . . . 0.0 109.597 179.17 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -74.75 -26.03 59.5 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.629 178.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.697 ' HB3' HG22 ' B' ' 116' ' ' VAL . 37.1 m-20 -83.31 -34.37 25.72 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.328 179.302 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.575 HG22 ' HE1' ' A' ' 44' ' ' PHE . 1.4 p -74.28 -36.42 63.8 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.961 179.303 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.5 ' O ' ' HB2' ' A' ' 16' ' ' HIS . 0.7 OUTLIER -72.86 -46.65 51.72 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.199 179.288 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 -67.82 -23.08 65.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.183 179.207 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.772 ' CB ' HG11 ' B' ' 116' ' ' VAL . . . -78.49 -52.16 8.93 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.05 179.315 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.82 HD22 ' HB3' ' A' ' 44' ' ' PHE . 0.6 OUTLIER -68.49 -24.67 64.71 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.121 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.5 ' HB2' ' O ' ' A' ' 12' ' ' GLN . 1.9 t-160 -73.31 -50.82 20.07 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 178.139 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.891 HD22 ' CE1' ' A' ' 21' ' ' TYR . 0.9 OUTLIER -55.66 -37.63 68.53 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 121.764 0.792 . . . . 0.0 109.01 178.096 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 1.031 HD22 HG23 ' A' ' 37' ' ' ILE . 32.9 mt -61.17 -48.53 81.16 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.474 -1.239 . . . . 0.0 110.798 179.468 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.468 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 0.4 OUTLIER -57.37 -33.65 68.03 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.798 -179.912 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -76.8 -39.51 51.24 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.114 179.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.891 ' CE1' HD22 ' A' ' 17' ' ' LEU . 13.7 m-30 -64.85 -47.26 78.58 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.76 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.499 ' HB2' ' CG ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -58.94 -51.08 71.56 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.686 179.695 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.425 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 1.6 p -55.46 -32.58 62.9 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.149 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.5 ptmt -102.5 4.9 39.11 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.556 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.984 HD12 HD11 ' A' ' 37' ' ' ILE . 0.6 OUTLIER -93.35 -63.77 1.17 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.022 0.439 . . . . 0.0 112.085 -179.418 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.677 ' HB2' ' HD2' ' A' ' 31' ' ' ARG . 38.0 p -57.49 -18.16 17.34 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.869 -0.605 . . . . 0.0 112.298 -178.488 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.425 ' HG2' ' O ' ' A' ' 23' ' ' SER . 1.2 mm100 -77.83 49.62 0.79 Allowed 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.782 -0.367 . . . . 0.0 111.661 -179.239 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.48 ' CG2' ' N ' ' A' ' 29' ' ' GLU . 0.9 OUTLIER -176.58 -54.71 0.01 OUTLIER 'General case' 0 CA--C 1.528 0.132 0 N-CA-C 111.687 0.254 . . . . 0.0 111.687 179.288 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.48 ' N ' ' CG2' ' A' ' 28' ' ' THR . 7.6 pt-20 -179.3 27.08 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.772 0.32 . . . . 0.0 111.687 -179.668 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.548 ' CB ' HD22 ' A' ' 25' ' ' LEU . 6.6 m-20 -131.92 47.88 2.48 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.929 0.395 . . . . 0.0 110.748 -179.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.677 ' HD2' ' HB2' ' A' ' 26' ' ' SER . 21.2 mmm180 -64.9 -50.07 67.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.415 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -59.88 -46.98 87.6 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.268 0.556 . . . . 0.0 109.856 178.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.707 HD21 ' HB3' ' B' ' 95' ' ' SER . 8.5 tp -55.92 -36.51 67.81 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.452 179.221 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.647 ' HA ' HD12 ' A' ' 37' ' ' ILE . 10.5 ttt180 -60.35 -42.65 96.19 Favored 'General case' 0 CA--C 1.518 -0.261 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 179.118 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.0 t -59.25 -35.3 73.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.902 178.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.73 ' HB3' ' NE2' ' B' ' 91' ' ' GLN . 38.2 m -66.45 -51.27 58.67 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-O 121.258 0.551 . . . . 0.0 110.428 179.339 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 1.031 HG23 HD22 ' A' ' 18' ' ' LEU . 6.1 mt -59.46 -40.89 82.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.91 -0.587 . . . . 0.0 109.593 179.076 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.15 -52.14 66.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 114.987 -1.006 . . . . 0.0 111.86 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.595 ' HD2' HE22 ' B' ' 91' ' ' GLN . 3.8 ptp180 -56.74 -38.01 71.81 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 120.36 -0.536 . . . . 0.0 110.326 -179.755 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.723 HG12 ' CD2' ' A' ' 44' ' ' PHE . 95.6 t -64.43 -31.25 52.78 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 178.357 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.797 HD11 ' CB ' ' A' ' 18' ' ' LEU . 30.4 mm -65.49 -61.83 1.52 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.199 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.04 179.496 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.4 p -52.66 -47.04 67.41 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-O 121.038 0.447 . . . . 0.0 110.4 -179.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.577 HG23 ' CE2' ' B' ' 129' ' ' TYR . 24.5 mt -60.59 -32.59 51.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.721 178.71 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.82 ' HB3' HD22 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -72.86 -59.59 2.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.893 179.614 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -80.55 1.1 30.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.937 -178.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -47.54 170.14 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.824 0.345 . . . . 0.0 111.523 -179.619 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -83.15 -36.75 24.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 -179.741 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.766 HD12 ' HA ' ' B' ' 129' ' ' TYR . 0.3 OUTLIER -76.34 -44.54 36.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.495 179.782 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.567 ' CE1' HD23 ' B' ' 126' ' ' LEU . 11.0 t80 -51.2 -56.57 12.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.514 -179.397 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 90.5 mm-40 -53.21 -40.62 64.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.906 0.384 . . . . 0.0 110.722 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.43 -48.79 80.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.688 179.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.623 HD13 ' O ' ' B' ' 125' ' ' LEU . 4.0 mt -60.26 -47.28 86.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.571 179.643 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.623 HG12 HD13 ' B' ' 125' ' ' LEU . 47.7 mt -53.41 -34.94 23.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.49 179.448 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -73.24 -32.42 64.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.271 179.217 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.5 HG22 ' HB2' ' A' ' 59' ' ' TYR . 58.2 mt -70.33 -43.75 78.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.22 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.4 -20.54 4.7 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.737 -179.558 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.408 ' O ' ' CG ' ' A' ' 58' ' ' PHE . 24.7 pt-20 -43.59 -36.43 2.1 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.775 0.321 . . . . 0.0 111.421 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.408 ' CG ' ' O ' ' A' ' 57' ' ' GLU . 68.0 m-85 -158.09 36.56 0.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.25 -179.786 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.959 ' CD2' HD21 ' D' ' 128' ' ' LEU . 15.2 m-85 -132.56 70.09 1.47 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.597 179.791 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.407 ' HB2' ' HB ' ' C' ' 62' ' ' THR . 5.9 mm-40 -55.51 90.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.975 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.578 HG23 HG21 ' B' ' 124' ' ' THR . 0.0 OUTLIER -72.84 98.13 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.007 0.432 . . . . 0.0 110.924 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.425 ' HB ' ' HB2' ' C' ' 60' ' ' GLU . 4.3 m -78.98 120.09 23.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.611 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.464 ' CD1' ' CE2' ' C' ' 59' ' ' TYR . 0.2 OUTLIER -94.17 125.46 38.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.813 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.665 ' N ' HD23 ' A' ' 64' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . 0.498 HD12 ' HB3' ' B' ' 130' ' ' ASP . 8.9 tt . . . . . 0 N--CA 1.445 -0.682 0 CA-C-O 121.356 0.598 . . . . 0.0 109.502 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . 0.961 HD23 ' H ' ' B' ' 84' ' ' ALA . 0.3 OUTLIER -84.97 -46.15 11.51 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.133 -0.939 . . . . 0.0 110.938 -179.827 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 0.961 ' H ' HD23 ' B' ' 83' ' ' LEU . . . -70.36 -29.23 65.86 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.965 -178.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 85' ' ' ALA . . . . . 0.664 ' HB1' ' HB3' ' B' ' 126' ' ' LEU . . . -53.11 -26.61 17.07 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.016 0.436 . . . . 0.0 110.352 179.734 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -118.47 -40.62 2.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.832 178.729 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 87' ' ' ARG . . . . . 0.68 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 26.6 ttt85 -65.55 -50.27 65.81 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.159 179.18 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . 0.861 ' O ' HG23 ' B' ' 92' ' ' VAL . . . -65.92 -34.7 78.72 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.374 -179.517 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 89' ' ' VAL . . . . . 0.712 HG13 ' CD2' ' B' ' 117' ' ' PHE . 76.2 t -64.36 -57.19 12.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.187 179.558 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.7 -29.08 70.07 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 178.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 91' ' ' GLN . . . . . 0.73 ' NE2' ' HB3' ' A' ' 36' ' ' SER . 3.6 tt0 -63.54 -47.88 79.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.372 -0.831 . . . . 0.0 108.973 178.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 92' ' ' VAL . . . . . 0.861 HG23 ' O ' ' B' ' 88' ' ' ALA . 21.4 t -74.63 -28.58 22.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.04 177.545 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 93' ' ' LEU . . . . . 0.736 ' CD1' ' HB2' ' B' ' 117' ' ' PHE . 0.7 OUTLIER -65.18 -31.29 72.4 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.703 179.05 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -80.65 -42.49 22.02 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.138 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 95' ' ' SER . . . . . 0.707 ' HB3' HD21 ' A' ' 33' ' ' LEU . 1.0 OUTLIER -79.35 -12.51 59.92 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.544 179.842 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . 0.821 HD22 HD22 ' B' ' 110' ' ' LEU . 0.2 OUTLIER -43.99 -52.23 7.17 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.846 0.355 . . . . 0.0 111.879 -179.485 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -65.95 -27.49 68.2 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.018 -179.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . 0.767 ' O ' ' HB3' ' B' ' 101' ' ' ALA . 0.2 OUTLIER -70.94 -37.11 72.84 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 178.082 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 99' ' ' ILE . . . . . 0.908 HG12 HD11 ' A' ' 25' ' ' LEU . 84.9 mt -58.55 -49.15 83.38 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.66 0 CA-C-N 114.545 -1.207 . . . . 0.0 109.817 178.452 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 100' ' ' HIS . . . . . 0.81 ' HB2' HD11 ' B' ' 110' ' ' LEU . 2.1 t-160 -58.01 -35.67 71.57 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 178.563 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 101' ' ' ALA . . . . . 0.767 ' HB3' ' O ' ' B' ' 98' ' ' GLU . . . -55.37 -42.31 73.77 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.541 -1.208 . . . . 0.0 111.857 179.507 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 102' ' ' LEU . . . . . 0.595 HD12 HG23 ' B' ' 103' ' ' THR . 0.3 OUTLIER -119.59 33.06 5.78 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 -177.473 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 103' ' ' THR . . . . . 0.595 HG23 HD12 ' B' ' 102' ' ' LEU . 40.4 p -151.29 -29.33 0.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 179.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 5.2 t70 75.37 22.65 1.64 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.083 0.468 . . . . 0.0 110.596 -179.327 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 105' ' ' SER . . . . . 0.46 ' HB3' ' CE1' ' A' ' 21' ' ' TYR . 0.1 OUTLIER -57.28 -20.0 25.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.029 179.464 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 106' ' ' SER . . . . . 0.412 ' CB ' ' O ' ' B' ' 105' ' ' SER . 4.3 t 80.61 121.04 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.71 -179.762 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -49.86 -27.11 4.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.056 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 10.0 tptt -57.45 -54.52 45.95 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.04 0.447 . . . . 0.0 110.264 179.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 109' ' ' ASP . . . . . 0.635 ' O ' HD12 ' B' ' 113' ' ' LEU . 9.2 m-20 -63.46 -35.51 80.67 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.808 179.145 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 110' ' ' LEU . . . . . 0.821 HD22 HD22 ' B' ' 96' ' ' LEU . 53.1 mt -64.18 -40.7 96.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.359 179.354 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -62.21 -42.81 99.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.565 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 112' ' ' PHE . . . . . 0.4 ' CE1' ' CG2' ' B' ' 116' ' ' VAL . 2.6 t80 -59.06 -46.06 89.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.386 179.692 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 113' ' ' LEU . . . . . 0.694 HD11 ' CD1' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -72.44 -31.29 65.34 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.3 179.669 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 114' ' ' HIS . . . . . 0.51 ' HA ' HD11 ' B' ' 93' ' ' LEU . 2.1 t-80 -59.64 -36.28 76.07 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 178.138 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . 0.554 ' HA ' ' HB2' ' B' ' 118' ' ' GLN . 6.9 p -81.11 -39.99 24.77 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.482 178.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 116' ' ' VAL . . . . . 0.868 ' O ' HD22 ' B' ' 122' ' ' LEU . 10.2 t -55.95 -24.51 17.38 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 CA-C-O 121.436 0.636 . . . . 0.0 109.43 178.654 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 117' ' ' PHE . . . . . 0.856 ' HZ ' HD11 ' A' ' 18' ' ' LEU . 7.7 m-30 -98.8 -27.07 14.1 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 114.935 -1.029 . . . . 0.0 111.309 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 118' ' ' GLN . . . . . 0.554 ' HB2' ' HA ' ' B' ' 115' ' ' SER . 0.0 OUTLIER -76.73 -15.71 59.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.924 -178.127 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 -53.6 117.51 3.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.751 0.31 . . . . 0.0 111.101 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 -57.37 -43.58 83.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -60.53 -34.5 74.21 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.8 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . 0.868 HD22 ' O ' ' B' ' 116' ' ' VAL . 54.3 tp -56.13 -49.32 74.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.995 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 123' ' ' HIS . . . . . 1.006 ' HA ' HD12 ' B' ' 126' ' ' LEU . 11.7 m170 -55.71 -24.7 36.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.873 0.368 . . . . 0.0 110.202 179.379 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 124' ' ' THR . . . . . 0.578 HG21 HG23 ' A' ' 61' ' ' VAL . 2.4 m -74.94 -38.73 61.67 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 179.006 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . 0.837 HD12 HD12 ' B' ' 122' ' ' LEU . 4.1 mt -68.43 -30.8 69.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.758 178.669 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . 1.006 HD12 ' HA ' ' B' ' 123' ' ' HIS . 11.7 mt -73.22 -50.43 22.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.59 -179.447 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.56 -50.63 72.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.989 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . 0.918 HD21 ' CD2' ' C' ' 59' ' ' TYR . 2.8 mt -70.46 -29.36 65.9 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.494 179.678 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 129' ' ' TYR . . . . . 0.766 ' HA ' HD12 ' A' ' 48' ' ' LEU . 1.2 t80 -55.47 -53.45 56.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.227 -179.285 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 130' ' ' ASP . . . . . 0.498 ' HB3' HD12 ' B' ' 82' ' ' LEU . 0.4 OUTLIER -78.11 -31.41 49.97 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.596 -0.442 . . . . 0.0 111.544 179.768 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 1.4 tttp -54.28 -54.23 42.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.198 -179.47 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 132' ' ' ILE . . . . . 0.763 HD12 ' O ' ' B' ' 128' ' ' LEU . 1.5 mt -78.35 -44.43 26.81 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 CA-C-O 120.948 0.404 . . . . 0.0 110.935 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 133' ' ' ASN . . . . . . . . . . . . . 61.6 t-20 -56.46 -25.94 52.42 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.988 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 134' ' ' THR . . . . . 0.693 HG22 ' HG2' ' B' ' 135' ' ' LYS . 85.2 m -86.64 -54.61 4.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.74 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 135' ' ' LYS . . . . . 0.693 ' HG2' HG22 ' B' ' 134' ' ' THR . 0.0 OUTLIER 164.21 -21.68 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.226 179.762 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 136' ' ' SER . . . . . 0.418 ' HB3' ' HA ' ' C' ' 51' ' ' ALA . 0.4 OUTLIER . . . . . 0 C--N 1.332 -0.182 0 CA-C-O 120.793 0.33 . . . . 0.0 110.786 -179.77 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 7' ' ' ARG . . . . . . . . . . . . . 9.5 ttp-105 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.259 -0.274 . . . . 0.0 110.259 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' C' C ' 8' ' ' LYS . . . . . 0.402 ' HD3' ' CG2' ' C' ' 53' ' ' ILE . 0.1 OUTLIER -61.66 -41.0 96.92 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 121.149 0.499 . . . . 0.0 109.941 179.302 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -77.26 -30.81 54.58 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.24 179.271 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 10' ' ' ASP . . . . . 0.45 ' HB3' HG22 ' D' ' 116' ' ' VAL . 13.2 m-20 -75.7 -29.87 59.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.263 179.535 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 3.2 p -73.21 -50.24 23.55 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.452 179.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 12' ' ' GLN . . . . . 0.519 ' HA ' HD23 ' C' ' 15' ' ' LEU . 0.6 OUTLIER -63.98 -32.97 74.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.172 179.504 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 34.8 ttt180 -75.96 -25.65 56.09 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.145 178.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 14' ' ' ALA . . . . . 0.729 ' HB1' HD23 ' D' ' 113' ' ' LEU . . . -78.25 -54.83 5.79 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.523 178.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 15' ' ' LEU . . . . . 0.753 ' HA ' HD12 ' C' ' 18' ' ' LEU . 0.4 OUTLIER -60.5 -28.78 68.64 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.787 179.289 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 16' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -73.46 -41.91 62.58 Favored 'General case' 0 CA--C 1.52 -0.186 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 179.023 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . 0.876 HD22 ' CZ ' ' C' ' 21' ' ' TYR . 1.2 mt -62.72 -48.94 77.03 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.319 179.589 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . 0.934 ' HB3' HG23 ' C' ' 37' ' ' ILE . 2.3 mt -59.93 -37.01 78.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.468 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.34 -46.28 90.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.009 0.433 . . . . 0.0 110.722 179.628 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.73 -31.27 68.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.199 179.612 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 21' ' ' TYR . . . . . 0.876 ' CZ ' HD22 ' C' ' 17' ' ' LEU . 14.4 m-85 -70.79 -43.92 67.7 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.651 179.38 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 22' ' ' ARG . . . . . 0.58 ' HB2' HG21 ' C' ' 37' ' ' ILE . 3.5 ttt180 -54.18 -48.39 71.0 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.374 179.659 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 98.5 p -58.77 -45.47 89.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.011 179.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 24' ' ' LYS . . . . . 0.535 ' O ' HG22 ' D' ' 103' ' ' THR . 12.2 ptmt -93.27 12.35 24.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.932 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 25' ' ' LEU . . . . . 0.879 HD12 HD11 ' C' ' 37' ' ' ILE . 0.0 OUTLIER -116.12 -77.24 0.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.834 0.35 . . . . 0.0 111.411 -179.193 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . 0.461 ' N ' HD22 ' C' ' 25' ' ' LEU . 4.1 m -56.38 -19.32 14.24 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.07 -0.514 . . . . 0.0 112.213 -178.507 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 27' ' ' GLN . . . . . 0.435 ' OE1' ' NH1' ' C' ' 31' ' ' ARG . 0.8 OUTLIER -77.46 57.79 1.6 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.86 0.362 . . . . 0.0 111.366 -179.577 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 28' ' ' THR . . . . . 0.457 HG23 ' N ' ' C' ' 29' ' ' GLU . 3.6 t -173.47 -51.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.534 179.604 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 29' ' ' GLU . . . . . 0.457 ' N ' HG23 ' C' ' 28' ' ' THR . 19.9 pt-20 -170.79 27.06 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.664 -179.733 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 30' ' ' ASP . . . . . 0.692 ' OD2' HD23 ' C' ' 33' ' ' LEU . 2.1 m-20 -138.69 46.51 1.99 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.907 0.384 . . . . 0.0 111.128 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . 0.435 ' NH1' ' OE1' ' C' ' 27' ' ' GLN . 26.8 mmm180 -55.49 -45.68 77.01 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.101 0.477 . . . . 0.0 110.301 179.601 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 27.6 tp60 -58.24 -42.81 87.19 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 178.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 33' ' ' LEU . . . . . 0.776 ' HG ' HD11 ' C' ' 25' ' ' LEU . 0.0 OUTLIER -57.62 -31.98 66.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.219 178.385 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 34' ' ' ARG . . . . . 0.458 ' HB2' ' CB ' ' C' ' 26' ' ' SER . 0.0 OUTLIER -60.53 -52.46 65.09 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.879 179.067 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 1.1 t -55.5 -34.22 64.41 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.347 179.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 36' ' ' SER . . . . . 0.718 ' HB2' HG22 ' D' ' 92' ' ' VAL . 0.8 OUTLIER -67.69 -51.97 43.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.53 179.447 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 37' ' ' ILE . . . . . 0.934 HG23 ' HB3' ' C' ' 18' ' ' LEU . 57.4 mt -60.43 -41.74 88.59 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 179.067 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -54.95 -43.34 73.33 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.234 179.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 39' ' ' ARG . . . . . 0.415 ' HB3' ' CB ' ' D' ' 88' ' ' ALA . 6.5 mtt180 -57.1 -50.9 71.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.807 178.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . 0.602 ' O ' ' HB2' ' C' ' 44' ' ' PHE . 9.8 t -60.48 -30.96 47.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.708 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 41' ' ' ILE . . . . . 0.67 HD12 ' O ' ' C' ' 15' ' ' LEU . 4.9 mm -70.5 -52.98 24.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 C-N-CA 120.964 -0.295 . . . . 0.0 111.283 179.759 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 6.3 p -66.31 -47.78 72.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.827 0.346 . . . . 0.0 111.221 -179.145 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 43' ' ' ILE . . . . . 0.779 HG23 ' CE2' ' D' ' 129' ' ' TYR . 9.6 mt -59.87 -34.43 55.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.367 179.681 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 44' ' ' PHE . . . . . 0.652 ' HB3' HD22 ' C' ' 15' ' ' LEU . 2.9 m-85 -72.94 -54.85 7.59 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.999 179.536 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 45' ' ' GLN . . . . . 0.435 ' NE2' HG22 ' C' ' 41' ' ' ILE . 3.1 pt20 -79.32 -9.4 59.57 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.67 0.618 . . . . 0.0 112.67 -178.062 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 46' ' ' SER . . . . . 0.438 ' OG ' ' HB2' ' C' ' 49' ' ' PHE . 7.6 p -47.63 133.47 13.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.952 0.406 . . . . 0.0 111.128 -179.551 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -50.56 -26.04 4.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.741 -179.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . 0.81 HD21 ' HB ' ' D' ' 132' ' ' ILE . 0.4 OUTLIER -79.61 -46.75 16.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.882 0.373 . . . . 0.0 110.562 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 49' ' ' PHE . . . . . 0.75 ' CE2' HD11 ' C' ' 53' ' ' ILE . 56.8 t80 -50.64 -56.14 13.22 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.347 -179.236 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 78.4 mm-40 -56.07 -38.54 70.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.008 0.433 . . . . 0.0 110.444 179.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 51' ' ' ALA . . . . . 0.418 ' HA ' ' HB3' ' B' ' 136' ' ' SER . . . -59.29 -47.12 86.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.513 179.606 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 52' ' ' LEU . . . . . 0.619 HD13 ' O ' ' D' ' 125' ' ' LEU . 3.3 mt -61.19 -45.96 92.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.327 179.593 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 53' ' ' ILE . . . . . 0.75 HD11 ' CE2' ' C' ' 49' ' ' PHE . 19.4 mt -54.67 -33.51 27.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.378 179.357 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -72.87 -34.85 66.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.423 179.355 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 55' ' ' ILE . . . . . 0.739 HD11 ' CG1' ' B' ' 132' ' ' ILE . 69.8 mt -68.43 -51.41 47.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.894 179.749 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 56' ' ' GLN . . . . . 0.441 ' OE1' HD21 ' D' ' 125' ' ' LEU . 11.1 pt20 -52.22 -23.52 5.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.38 -179.688 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 57' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -48.28 -30.68 5.05 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.819 0.342 . . . . 0.0 110.933 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 58' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -152.56 23.53 0.61 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.303 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 59' ' ' TYR . . . . . 0.918 ' CD2' HD21 ' B' ' 128' ' ' LEU . 52.3 m-85 -134.0 71.3 1.45 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.457 179.619 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 60' ' ' GLU . . . . . 0.425 ' HB2' ' HB ' ' A' ' 62' ' ' THR . 0.2 OUTLIER -55.23 96.88 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.056 -179.658 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 61' ' ' VAL . . . . . 0.598 HG23 HG21 ' D' ' 124' ' ' THR . 0.0 OUTLIER -78.46 97.08 2.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.076 179.761 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 62' ' ' THR . . . . . 0.407 ' HB ' ' HB2' ' A' ' 60' ' ' GLU . 5.1 m -87.62 118.0 26.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.594 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 63' ' ' LEU . . . . . 0.732 HD11 ' CZ ' ' A' ' 59' ' ' TYR . 0.1 OUTLIER -91.25 133.91 35.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.832 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 64' ' ' LEU . . . . . 0.738 HD23 ' N ' ' C' ' 64' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.531 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 82' ' ' LEU . . . . . 0.589 HD23 ' O ' ' D' ' 82' ' ' LEU . 7.8 tt . . . . . 0 N--CA 1.449 -0.503 0 CA-C-O 121.325 0.583 . . . . 0.0 109.435 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 83' ' ' LEU . . . . . 1.033 HD23 ' H ' ' D' ' 84' ' ' ALA . 0.3 OUTLIER -82.43 -47.6 12.06 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.228 -179.132 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' D' D ' 84' ' ' ALA . . . . . 1.033 ' H ' HD23 ' D' ' 83' ' ' LEU . . . -70.92 -26.0 63.01 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.448 -178.707 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 85' ' ' ALA . . . . . 0.9 ' HB1' ' HB3' ' D' ' 126' ' ' LEU . . . -52.85 -25.99 13.28 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.074 0.464 . . . . 0.0 110.143 179.456 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 86' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -122.12 -41.77 2.41 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.866 178.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 87' ' ' ARG . . . . . 0.672 ' HB3' ' O ' ' D' ' 83' ' ' LEU . 21.2 ttt-85 -63.23 -44.9 93.94 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.328 179.272 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 88' ' ' ALA . . . . . 0.717 ' HB3' ' O ' ' D' ' 84' ' ' ALA . . . -68.74 -41.97 78.24 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.02 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 89' ' ' VAL . . . . . 0.763 HG13 ' CD1' ' D' ' 117' ' ' PHE . 41.8 t -68.52 -38.58 79.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.892 179.589 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 6.6 t -76.28 -39.88 53.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.341 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 91' ' ' GLN . . . . . 0.456 ' HG3' ' HB3' ' C' ' 36' ' ' SER . 5.7 pt20 -67.08 -46.44 74.27 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 92' ' ' VAL . . . . . 0.718 HG22 ' HB2' ' C' ' 36' ' ' SER . 59.5 t -68.69 -27.83 37.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.438 178.173 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 93' ' ' LEU . . . . . 0.744 HD21 ' HA ' ' D' ' 114' ' ' HIS . 2.5 mt -63.05 -40.42 97.64 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.922 179.376 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -81.11 -27.03 35.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.073 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 95' ' ' SER . . . . . 0.774 ' HB3' HD21 ' C' ' 33' ' ' LEU . 24.2 m -79.25 -23.09 43.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.337 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 96' ' ' LEU . . . . . 0.62 HD22 HD22 ' D' ' 110' ' ' LEU . 0.6 OUTLIER -40.26 -52.81 2.62 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.9 0.381 . . . . 0.0 111.889 -179.692 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -64.95 -29.0 69.91 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.312 -179.07 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 98' ' ' GLU . . . . . 0.78 ' O ' ' HB3' ' D' ' 101' ' ' ALA . 0.0 OUTLIER -70.93 -39.59 72.57 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 177.752 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' D' D ' 99' ' ' ILE . . . . . 0.48 HG23 ' HG ' ' C' ' 25' ' ' LEU . 53.9 mt -60.32 -49.32 84.68 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.814 0 CA-C-N 114.148 -1.387 . . . . 0.0 110.107 178.61 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 100' ' ' HIS . . . . . 0.862 ' HB2' HD11 ' D' ' 110' ' ' LEU . 1.7 t-160 -58.32 -33.76 69.85 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 178.535 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 101' ' ' ALA . . . . . 0.78 ' HB3' ' O ' ' D' ' 98' ' ' GLU . . . -55.74 -42.91 76.08 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 114.631 -1.168 . . . . 0.0 111.746 179.485 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 102' ' ' LEU . . . . . 0.831 HD13 HD23 ' C' ' 25' ' ' LEU . 0.3 OUTLIER -117.02 23.07 12.14 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 -177.521 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' D' D ' 103' ' ' THR . . . . . 0.615 HG23 HD12 ' D' ' 102' ' ' LEU . 36.3 p -144.46 -5.42 0.75 Allowed 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 23.8 t0 53.12 22.51 2.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.995 0.426 . . . . 0.0 110.981 -179.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 105' ' ' SER . . . . . 0.46 ' HB2' ' CE1' ' C' ' 21' ' ' TYR . 58.1 p -56.59 -23.98 44.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.863 179.647 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 106' ' ' SER . . . . . . . . . . . . . 3.6 t 79.37 124.78 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.823 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 107' ' ' GLU . . . . . 0.444 ' HA ' HD12 ' D' ' 110' ' ' LEU . 0.9 OUTLIER -53.6 -23.97 12.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.844 179.913 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -56.9 -55.05 39.5 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.09 0.471 . . . . 0.0 110.01 179.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 109' ' ' ASP . . . . . 0.597 ' O ' HD12 ' D' ' 113' ' ' LEU . 3.6 m-20 -63.27 -41.17 98.99 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.629 178.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 110' ' ' LEU . . . . . 0.862 HD11 ' HB2' ' D' ' 100' ' ' HIS . 88.2 mt -61.02 -34.0 74.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.071 179.106 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 111' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -64.97 -46.42 81.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.591 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 112' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -58.52 -39.44 80.14 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.194 179.627 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 113' ' ' LEU . . . . . 0.729 HD23 ' HB1' ' C' ' 14' ' ' ALA . 0.5 OUTLIER -75.13 -36.42 61.6 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.554 179.72 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' D' D ' 114' ' ' HIS . . . . . 0.744 ' HA ' HD21 ' D' ' 93' ' ' LEU . 0.0 OUTLIER -59.42 -28.79 67.25 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 178.769 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' D' D ' 115' ' ' SER . . . . . 0.413 ' N ' ' CD2' ' D' ' 114' ' ' HIS . 0.3 OUTLIER -79.13 -38.44 36.09 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 177.883 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' D' D ' 116' ' ' VAL . . . . . 0.873 ' O ' HD22 ' D' ' 122' ' ' LEU . 11.5 t -60.93 -23.34 29.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 115.177 -0.92 . . . . 0.0 109.633 178.072 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 117' ' ' PHE . . . . . 0.763 ' CD1' HG13 ' D' ' 89' ' ' VAL . 25.5 m-85 -99.17 -40.37 8.01 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.284 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 118' ' ' GLN . . . . . 0.45 ' NE2' HD11 ' D' ' 93' ' ' LEU . 0.0 OUTLIER -59.71 -30.22 68.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.614 -179.14 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -44.17 116.07 0.95 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.661 -179.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 120' ' ' GLN . . . . . 0.454 ' O ' ' CD2' ' D' ' 123' ' ' HIS . 0.7 OUTLIER -59.91 -42.47 93.97 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.538 179.773 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' D' D ' 121' ' ' HIS . . . . . 0.418 ' O ' ' HG ' ' D' ' 125' ' ' LEU . 0.5 OUTLIER -55.42 -33.58 63.68 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.352 179.453 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' D' D ' 122' ' ' LEU . . . . . 0.873 HD22 ' O ' ' D' ' 116' ' ' VAL . 36.8 tp -55.69 -47.5 76.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.989 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 123' ' ' HIS . . . . . 0.912 ' HA ' HD12 ' D' ' 126' ' ' LEU . 0.0 OUTLIER -57.66 -24.47 56.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.999 0.428 . . . . 0.0 110.15 179.39 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' D' D ' 124' ' ' THR . . . . . 0.598 HG21 HG23 ' C' ' 61' ' ' VAL . 1.4 m -75.0 -38.03 61.69 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.479 178.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 125' ' ' LEU . . . . . 0.768 HD12 HD12 ' D' ' 122' ' ' LEU . 1.7 mt -73.18 -28.38 62.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.5 178.314 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 126' ' ' LEU . . . . . 0.912 HD12 ' HA ' ' D' ' 123' ' ' HIS . 18.9 mt -73.1 -50.27 23.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.963 -179.724 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 127' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -60.59 -46.55 89.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.287 179.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 128' ' ' LEU . . . . . 0.959 HD21 ' CD2' ' A' ' 59' ' ' TYR . 12.9 mt -70.43 -29.88 66.59 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.451 179.53 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 129' ' ' TYR . . . . . 0.779 ' CE2' HG23 ' C' ' 43' ' ' ILE . 1.0 OUTLIER -56.74 -51.6 68.24 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.857 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' D' D ' 130' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -76.11 -31.4 58.65 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.66 -0.416 . . . . 0.0 111.367 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 131' ' ' LYS . . . . . . . . . . . . . 4.1 mttp -54.47 -54.09 45.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.793 0.33 . . . . 0.0 110.987 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 132' ' ' ILE . . . . . 0.81 ' HB ' HD21 ' C' ' 48' ' ' LEU . 2.6 mt -76.74 -40.12 32.07 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.648 179.678 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 133' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 . . . . . 0 C--N 1.327 -0.411 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.903 -179.749 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 20.6 ttm-85 . . . . . 0 N--CA 1.454 -0.245 0 N-CA-C 110.45 -0.204 . . . . 0.0 110.45 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.558 ' HG2' HG21 ' A' ' 53' ' ' ILE . 28.6 mttt -65.28 -36.93 85.62 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-O 121.2 0.524 . . . . 0.0 109.624 179.013 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -76.82 -29.48 55.97 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.874 178.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.75 -30.89 40.91 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.463 179.658 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.5 p -75.97 -39.94 54.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.396 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -70.27 -37.43 74.87 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.846 -0.428 . . . . 0.0 109.846 179.285 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.54 -27.33 62.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.867 178.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.902 ' CB ' HG11 ' B' ' 116' ' ' VAL . . . -78.32 -55.29 5.36 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 178.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.706 HD22 ' HB3' ' A' ' 44' ' ' PHE . 0.3 OUTLIER -62.07 -27.27 68.79 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.53 179.088 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -73.56 -46.19 48.89 Favored 'General case' 0 CA--C 1.518 -0.256 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 178.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.874 HD22 ' CE1' ' A' ' 21' ' ' TYR . 1.5 mt -61.9 -37.91 86.4 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.316 178.646 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.92 ' CD2' HG11 ' B' ' 92' ' ' VAL . 39.0 mt -61.21 -42.35 98.45 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.902 179.714 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -63.11 -43.52 98.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.061 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -71.68 -34.5 69.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.232 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.874 ' CE1' HD22 ' A' ' 17' ' ' LEU . 11.7 m-30 -69.95 -44.01 70.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.047 179.598 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.652 ' HA ' HD12 ' A' ' 37' ' ' ILE . 1.8 ttt-85 -55.42 -51.09 68.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.845 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.0 p -58.57 -43.84 89.55 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.069 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.4 ptmt -85.41 -1.42 57.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.752 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 1.061 HD12 HD11 ' A' ' 37' ' ' ILE . 0.2 OUTLIER -90.03 -69.26 0.73 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.809 0.338 . . . . 0.0 111.006 -179.752 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.488 ' HB2' ' HB2' ' A' ' 34' ' ' ARG . 36.2 t -62.0 -146.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.826 -179.357 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 50.0 26.11 1.92 Allowed 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 121.066 0.46 . . . . 0.0 110.209 -179.299 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.539 HG23 ' N ' ' A' ' 29' ' ' GLU . 12.9 t -149.86 -53.74 0.16 Allowed 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.77 -179.768 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.539 ' N ' HG23 ' A' ' 28' ' ' THR . 13.5 pt-20 -179.57 27.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.702 -179.693 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.416 ' CB ' HD22 ' A' ' 25' ' ' LEU . 1.0 OUTLIER -142.92 52.04 1.4 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.961 0.41 . . . . 0.0 111.091 -179.802 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.77 -55.03 30.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.439 0.637 . . . . 0.0 110.297 179.573 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.5 tp60 -52.56 -50.21 63.38 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.791 178.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.821 HD21 ' HB3' ' B' ' 95' ' ' SER . 8.8 tp -54.8 -31.3 58.82 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.892 178.651 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.488 ' HB2' ' HB2' ' A' ' 26' ' ' SER . 10.5 ttp180 -60.46 -46.65 89.29 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.367 178.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.6 m -59.09 -34.79 72.41 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.15 178.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.405 ' HB3' ' CB ' ' B' ' 91' ' ' GLN . 0.8 OUTLIER -63.63 -51.84 63.45 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.584 179.691 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 1.061 HD11 HD12 ' A' ' 25' ' ' LEU . 33.4 mt -59.37 -41.09 83.25 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.285 0 CA-C-O 121.209 0.528 . . . . 0.0 109.774 179.009 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -58.04 -41.8 84.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.456 179.554 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.413 ' HB3' ' CB ' ' B' ' 88' ' ' ALA . 6.8 mtt180 -55.72 -50.46 70.29 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-O 121.239 0.542 . . . . 0.0 109.631 179.105 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.646 ' HB ' HD13 ' A' ' 18' ' ' LEU . 8.8 t -60.42 -28.65 42.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.663 179.592 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.72 HD11 ' HB3' ' A' ' 18' ' ' LEU . 13.0 mm -70.26 -55.46 14.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.627 179.701 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.2 p -63.79 -47.35 81.25 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-O 120.813 0.34 . . . . 0.0 111.099 -178.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 5.7 mt -59.7 -35.38 59.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.396 179.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.706 ' HB3' HD22 ' A' ' 15' ' ' LEU . 2.6 m-85 -72.6 -56.2 5.7 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.702 179.609 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.433 ' NE2' HG22 ' A' ' 41' ' ' ILE . 3.2 pt20 -79.18 -0.04 30.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.962 -178.648 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.23 150.18 2.59 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.834 0.35 . . . . 0.0 111.002 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -66.19 -35.9 81.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.35 -179.554 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.872 ' O ' HD12 ' A' ' 48' ' ' LEU . 0.5 OUTLIER -79.7 -43.33 22.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.137 -179.713 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -50.6 -56.26 12.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.273 -179.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -55.17 -36.32 65.73 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.063 0.459 . . . . 0.0 110.446 179.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.457 ' HB3' ' O ' ' A' ' 48' ' ' LEU . . . -59.34 -49.2 78.75 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.375 179.323 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.531 HD13 ' O ' ' B' ' 125' ' ' LEU . 2.1 mt -57.71 -46.64 84.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.263 179.366 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.927 HG12 HD13 ' B' ' 125' ' ' LEU . 25.9 mt -56.69 -31.26 34.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.551 179.498 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -73.12 -33.67 65.68 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.071 179.094 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.847 HG22 ' HB2' ' A' ' 59' ' ' TYR . 64.4 mt -67.54 -45.91 84.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.674 179.502 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.22 -25.14 2.08 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.599 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.42 ' O ' ' CD2' ' A' ' 58' ' ' PHE . 11.7 mm-40 -45.58 -34.94 3.64 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.218 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.42 ' CD2' ' O ' ' A' ' 57' ' ' GLU . 62.0 m-85 -155.36 30.69 0.38 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.221 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.847 ' HB2' HG22 ' A' ' 55' ' ' ILE . 35.5 m-85 -136.34 70.41 1.42 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.503 179.509 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.416 ' HB2' ' HB ' ' C' ' 62' ' ' THR . 3.4 mm-40 -58.94 102.92 0.14 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.635 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.526 ' CG2' HG21 ' B' ' 124' ' ' THR . 0.0 OUTLIER -81.64 96.72 3.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.82 179.877 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.413 ' HB ' ' HB2' ' C' ' 60' ' ' GLU . 20.2 m -74.26 118.96 17.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.243 179.699 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.761 HD11 ' CE2' ' C' ' 59' ' ' TYR . 0.0 OUTLIER -93.59 120.91 34.44 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.033 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.765 ' N ' HD23 ' A' ' 64' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.402 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.064 179.53 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . 0.522 HD23 ' O ' ' B' ' 82' ' ' LEU . 7.6 tt . . . . . 0 N--CA 1.449 -0.475 0 CA-C-O 121.394 0.616 . . . . 0.0 109.34 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . 0.961 HD23 ' H ' ' B' ' 84' ' ' ALA . 0.3 OUTLIER -80.99 -47.21 13.93 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.751 -179.538 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 0.961 ' H ' HD23 ' B' ' 83' ' ' LEU . . . -74.86 -25.56 59.06 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.731 -178.762 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 85' ' ' ALA . . . . . 0.932 ' HB1' ' HB3' ' B' ' 126' ' ' LEU . . . -52.94 -24.27 8.98 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.003 0.43 . . . . 0.0 110.224 179.52 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -123.07 -40.15 2.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.687 178.585 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 87' ' ' ARG . . . . . 0.703 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 28.0 ttt180 -65.21 -48.49 73.17 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.211 179.082 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . 0.763 ' HB2' ' HB1' ' B' ' 84' ' ' ALA . . . -65.02 -40.75 95.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.678 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 89' ' ' VAL . . . . . 0.491 ' CG1' ' HB3' ' B' ' 117' ' ' PHE . 48.9 t -61.5 -36.74 75.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.963 179.089 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 90' ' ' SER . . . . . 0.41 ' HA ' ' HB2' ' B' ' 93' ' ' LEU . 1.6 t -76.05 -23.54 55.11 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.783 179.483 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 91' ' ' GLN . . . . . 0.478 HE21 ' HG2' ' B' ' 87' ' ' ARG . 53.2 mt-30 -68.53 -55.69 10.84 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-O 121.32 0.581 . . . . 0.0 109.525 179.465 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 92' ' ' VAL . . . . . 0.92 HG11 ' CD2' ' A' ' 18' ' ' LEU . 2.9 t -67.8 -28.05 40.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.041 179.355 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 93' ' ' LEU . . . . . 0.705 HD21 ' HA ' ' B' ' 114' ' ' HIS . 2.9 mt -67.46 -34.39 77.09 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.985 179.572 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -86.97 -40.75 14.49 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.033 0.444 . . . . 0.0 111.079 -179.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 95' ' ' SER . . . . . 0.821 ' HB3' HD21 ' A' ' 33' ' ' LEU . 1.8 m -79.83 -17.65 52.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.213 -179.42 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . 0.945 HD12 ' CD2' ' B' ' 114' ' ' HIS . 0.2 OUTLIER -39.0 -52.12 1.8 Allowed 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -179.335 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -67.35 -30.09 69.81 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.486 -179.342 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . 0.806 ' O ' ' HB3' ' B' ' 101' ' ' ALA . 0.1 OUTLIER -69.88 -35.74 74.9 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 178.043 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 99' ' ' ILE . . . . . 0.538 ' O ' HG23 ' B' ' 103' ' ' THR . 45.2 mt -61.05 -48.78 87.5 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.843 0 CA-C-N 114.361 -1.29 . . . . 0.0 109.921 178.409 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 100' ' ' HIS . . . . . 0.778 ' HB2' HD11 ' B' ' 110' ' ' LEU . 1.9 t-160 -56.78 -35.41 68.67 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 178.267 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 101' ' ' ALA . . . . . 0.806 ' HB3' ' O ' ' B' ' 98' ' ' GLU . . . -54.23 -45.81 72.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.434 -1.257 . . . . 0.0 111.719 179.252 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 102' ' ' LEU . . . . . 0.765 HD21 ' OE2' ' B' ' 98' ' ' GLU . 0.4 OUTLIER -117.24 32.27 6.26 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.46 -0.791 . . . . 0.0 112.493 -177.625 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 103' ' ' THR . . . . . 0.659 HG23 HD12 ' B' ' 102' ' ' LEU . 41.8 p -147.39 -31.55 0.31 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 111.72 0.267 . . . . 0.0 111.72 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 11.8 t70 76.44 23.05 1.18 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.98 0.419 . . . . 0.0 110.576 -179.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 105' ' ' SER . . . . . 0.47 ' HB3' ' CE1' ' A' ' 21' ' ' TYR . 0.3 OUTLIER -59.66 -20.29 55.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.983 179.662 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 106' ' ' SER . . . . . 0.403 ' CB ' ' O ' ' B' ' 105' ' ' SER . 3.9 t 79.89 123.18 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.702 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -51.1 -26.65 6.81 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.095 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.58 -55.08 38.39 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.11 0.481 . . . . 0.0 110.255 179.655 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 109' ' ' ASP . . . . . 0.714 ' O ' HD12 ' B' ' 113' ' ' LEU . 70.5 m-20 -64.74 -35.33 80.73 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.837 179.179 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 110' ' ' LEU . . . . . 0.937 HD22 HD22 ' B' ' 96' ' ' LEU . 31.0 mt -64.15 -36.4 83.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.093 179.282 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -65.6 -44.97 84.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.345 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 112' ' ' PHE . . . . . 0.615 ' O ' HG23 ' B' ' 116' ' ' VAL . 1.2 t80 -58.83 -40.8 85.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.585 179.661 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 113' ' ' LEU . . . . . 0.714 HD12 ' O ' ' B' ' 109' ' ' ASP . 0.5 OUTLIER -73.79 -32.2 63.64 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.929 -179.784 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 114' ' ' HIS . . . . . 0.945 ' CD2' HD12 ' B' ' 96' ' ' LEU . 35.4 m170 -60.05 -35.33 74.91 Favored 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 177.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . 0.417 ' HA ' ' HB2' ' B' ' 118' ' ' GLN . 56.8 m -73.35 -38.43 65.73 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.171 178.684 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 116' ' ' VAL . . . . . 0.902 HG11 ' CB ' ' A' ' 14' ' ' ALA . 74.7 t -61.92 -23.2 30.68 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 CA-C-N 115.287 -0.869 . . . . 0.0 109.984 178.377 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 117' ' ' PHE . . . . . 0.673 ' CZ ' HD11 ' A' ' 18' ' ' LEU . 6.3 m-30 -107.74 -16.0 14.43 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.648 -179.613 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 118' ' ' GLN . . . . . 0.433 ' NE2' HD11 ' B' ' 93' ' ' LEU . 0.0 OUTLIER -78.01 -35.28 50.1 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 120.772 0.32 . . . . 0.0 111.33 -179.469 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -43.49 134.74 3.91 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.748 -179.295 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -75.16 -40.66 59.4 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.579 179.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -55.78 -33.68 64.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.32 179.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . 0.803 HD22 ' O ' ' B' ' 116' ' ' VAL . 50.1 tp -55.92 -47.12 78.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.492 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 123' ' ' HIS . . . . . 0.967 ' HA ' HD12 ' B' ' 126' ' ' LEU . 49.0 m-70 -57.74 -25.71 60.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.291 179.319 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 124' ' ' THR . . . . . 0.573 HG22 HD11 ' B' ' 128' ' ' LEU . 4.1 m -73.32 -39.58 65.16 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 178.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . 0.927 HD13 HG12 ' A' ' 53' ' ' ILE . 1.9 mt -68.77 -31.58 70.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.704 178.557 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . 0.967 HD12 ' HA ' ' B' ' 123' ' ' HIS . 11.2 mt -73.22 -51.0 19.34 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.247 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -60.03 -50.62 73.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.031 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . 0.943 HD21 ' CD2' ' C' ' 59' ' ' TYR . 9.2 mt -68.25 -30.01 68.96 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.761 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 129' ' ' TYR . . . . . 0.461 ' O ' ' HB2' ' B' ' 133' ' ' ASN . 8.0 t80 -57.35 -53.01 62.93 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.868 -179.401 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 130' ' ' ASP . . . . . 0.429 ' OD2' ' HB2' ' B' ' 82' ' ' LEU . 2.2 t70 -76.77 -28.44 55.67 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.659 -0.416 . . . . 0.0 111.356 179.579 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 2.2 tptp -54.74 -52.5 62.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.99 -179.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 132' ' ' ILE . . . . . 0.752 HD12 ' O ' ' B' ' 128' ' ' LEU . 1.7 mt -77.26 -41.06 30.14 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.014 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 133' ' ' ASN . . . . . 0.529 ' HB2' HD23 ' A' ' 48' ' ' LEU . 1.9 t-20 -58.66 -25.89 63.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.704 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 134' ' ' THR . . . . . 0.566 HG22 ' O ' ' B' ' 134' ' ' THR . 90.8 m -84.44 5.91 25.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.458 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 135' ' ' LYS . . . . . 0.511 ' HG2' ' O ' ' B' ' 134' ' ' THR . 0.0 OUTLIER 34.0 36.98 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.179 0.514 . . . . 0.0 111.733 -179.931 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.91 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 7' ' ' ARG . . . . . . . . . . . . . 8.6 ttm-85 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.33 -37.2 84.69 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-O 121.163 0.506 . . . . 0.0 109.78 179.016 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 54.9 mm-40 -75.65 -30.3 59.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.99 179.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -77.48 -31.5 53.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.311 179.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 1.1 p -72.29 -43.98 63.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.671 179.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 12' ' ' GLN . . . . . 0.602 ' HA ' HD23 ' C' ' 15' ' ' LEU . 0.7 OUTLIER -69.46 -35.35 75.54 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.27 179.504 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 23.0 ttt-85 -73.67 -25.19 60.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.965 179.059 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 14' ' ' ALA . . . . . 0.749 ' HB1' HD23 ' D' ' 113' ' ' LEU . . . -78.37 -55.0 5.58 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 179.02 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 15' ' ' LEU . . . . . 0.863 HD22 ' HB3' ' C' ' 44' ' ' PHE . 0.3 OUTLIER -61.39 -26.11 67.63 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.577 179.238 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' C' C ' 16' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -73.4 -43.88 59.58 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 178.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . 0.947 HD22 ' CE1' ' C' ' 21' ' ' TYR . 1.3 mt -61.89 -48.43 80.54 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.269 179.407 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . 1.035 HD22 HG11 ' D' ' 92' ' ' VAL . 6.2 mt -59.02 -37.6 77.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.31 179.704 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -57.69 -47.17 83.11 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.313 0.577 . . . . 0.0 110.368 179.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 20' ' ' GLU . . . . . 0.501 ' O ' ' HG3' ' C' ' 24' ' ' LYS . 18.5 mm-40 -71.34 -29.39 64.93 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.063 179.437 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 21' ' ' TYR . . . . . 0.947 ' CE1' HD22 ' C' ' 17' ' ' LEU . 6.1 m-30 -68.43 -49.42 60.08 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.388 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 22' ' ' ARG . . . . . 0.401 ' HB2' ' HG3' ' C' ' 34' ' ' ARG . 29.1 ptt85 -57.45 -42.72 83.04 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.893 0.378 . . . . 0.0 110.362 179.268 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 3.9 m -58.94 -37.36 76.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.841 179.556 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 24' ' ' LYS . . . . . 0.501 ' HG3' ' O ' ' C' ' 20' ' ' GLU . 0.0 OUTLIER -110.32 17.47 20.85 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.624 -179.861 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' C' C ' 25' ' ' LEU . . . . . 0.738 HD12 HD11 ' C' ' 37' ' ' ILE . 0.1 OUTLIER -105.71 -61.13 1.54 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.188 0.518 . . . . 0.0 110.059 179.61 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . 0.403 ' OG ' ' CG ' ' C' ' 34' ' ' ARG . 1.2 m -65.04 -152.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.911 -179.635 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 27' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 57.76 23.25 9.34 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-O 120.938 0.399 . . . . 0.0 110.678 -179.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 28' ' ' THR . . . . . 0.676 HG23 ' H ' ' C' ' 29' ' ' GLU . 4.8 t -145.02 -59.88 0.35 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.043 -179.422 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 29' ' ' GLU . . . . . 0.676 ' H ' HG23 ' C' ' 28' ' ' THR . 17.2 pt-20 -174.69 27.97 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.283 -179.355 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -138.18 48.03 1.98 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.971 0.415 . . . . 0.0 110.922 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 -63.67 -52.31 61.25 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.147 0.499 . . . . 0.0 110.046 179.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.18 -43.91 78.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.637 178.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 33' ' ' LEU . . . . . 0.582 HD21 ' HB3' ' D' ' 95' ' ' SER . 8.6 tp -56.41 -34.53 66.84 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.864 178.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 34' ' ' ARG . . . . . 0.403 ' CG ' ' OG ' ' C' ' 26' ' ' SER . 1.8 ttp180 -60.47 -46.32 90.52 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.33 178.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.82 -32.91 69.82 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.065 178.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 36' ' ' SER . . . . . 0.441 ' HB3' ' CB ' ' D' ' 91' ' ' GLN . 0.5 OUTLIER -70.05 -51.39 32.41 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.081 179.218 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' C' C ' 37' ' ' ILE . . . . . 0.953 HG23 ' HB3' ' C' ' 18' ' ' LEU . 57.6 mt -56.84 -40.79 73.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.524 178.687 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.58 -41.51 94.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.82 179.623 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 39' ' ' ARG . . . . . 0.457 ' HB3' ' CB ' ' D' ' 88' ' ' ALA . 9.4 mtt180 -55.57 -49.62 72.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.142 0.496 . . . . 0.0 109.749 179.404 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . 0.636 HG21 HG21 ' D' ' 92' ' ' VAL . 24.5 t -60.18 -33.44 53.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.591 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 41' ' ' ILE . . . . . 0.786 HD11 ' HB2' ' C' ' 18' ' ' LEU . 13.5 mm -70.45 -50.29 46.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.809 0.337 . . . . 0.0 111.117 179.58 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 4.5 t -64.09 -48.4 76.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.728 -179.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 43' ' ' ILE . . . . . 0.773 HG23 ' CE2' ' D' ' 129' ' ' TYR . 5.1 mt -59.93 -33.53 53.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.143 179.488 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 44' ' ' PHE . . . . . 0.863 ' HB3' HD22 ' C' ' 15' ' ' LEU . 3.8 m-85 -72.01 -53.08 14.04 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.023 179.197 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 45' ' ' GLN . . . . . 0.772 ' NE2' HG22 ' C' ' 41' ' ' ILE . 30.8 mt-30 -55.17 -54.74 39.43 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.913 -179.643 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 46' ' ' SER . . . . . 0.506 ' C ' ' O ' ' C' ' 45' ' ' GLN . 53.6 p -17.13 118.08 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.322 -179.062 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -49.65 -26.23 3.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.712 -179.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . 0.775 ' O ' HD12 ' C' ' 48' ' ' LEU . 1.7 tp -78.11 -46.8 19.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.678 0.275 . . . . 0.0 110.946 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 49' ' ' PHE . . . . . 0.563 ' CE1' HD11 ' C' ' 53' ' ' ILE . 56.1 t80 -50.81 -55.56 16.3 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.785 0.326 . . . . 0.0 110.533 -179.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.09 -37.74 83.77 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.148 0.499 . . . . 0.0 109.934 178.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.68 -41.49 86.31 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.885 179.089 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 52' ' ' LEU . . . . . 0.536 HD21 ' CB ' ' D' ' 128' ' ' LEU . 0.3 OUTLIER -60.75 -43.06 98.45 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.555 178.717 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' C' C ' 53' ' ' ILE . . . . . 0.759 HG12 HD13 ' D' ' 125' ' ' LEU . 19.9 mt -56.16 -35.39 41.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.406 179.026 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -73.28 -31.9 64.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.457 179.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 55' ' ' ILE . . . . . 0.656 HG22 ' HB2' ' C' ' 59' ' ' TYR . 85.5 mt -67.52 -48.06 78.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.949 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 56' ' ' GLN . . . . . 0.612 ' OE1' HD21 ' D' ' 125' ' ' LEU . 5.5 pt20 -53.23 -22.3 6.59 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.52 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 57' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -45.01 -32.4 1.65 Allowed 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 120.809 0.338 . . . . 0.0 110.968 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 58' ' ' PHE . . . . . 0.409 ' HA ' ' HG ' ' A' ' 64' ' ' LEU . 54.9 m-85 -155.67 23.74 0.39 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.349 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 59' ' ' TYR . . . . . 0.943 ' CD2' HD21 ' B' ' 128' ' ' LEU . 16.5 m-85 -134.34 74.23 1.53 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.383 179.687 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 60' ' ' GLU . . . . . 0.413 ' HB2' ' HB ' ' A' ' 62' ' ' THR . 1.2 mt-10 -60.78 98.48 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.847 0.356 . . . . 0.0 110.765 -179.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 61' ' ' VAL . . . . . 0.617 HG23 HG21 ' D' ' 124' ' ' THR . 0.0 OUTLIER -72.69 99.04 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.155 -179.859 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' C' C ' 62' ' ' THR . . . . . 0.416 ' HB ' ' HB2' ' A' ' 60' ' ' GLU . 6.6 m -86.26 117.45 25.08 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.385 179.701 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 63' ' ' LEU . . . . . 0.617 HD11 ' OH ' ' A' ' 59' ' ' TYR . 0.2 OUTLIER -92.12 135.06 34.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.206 -179.765 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' C' C ' 64' ' ' LEU . . . . . 0.76 HD23 ' N ' ' C' ' 64' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.713 179.755 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 82' ' ' LEU . . . . . 0.561 ' O ' ' HB3' ' D' ' 85' ' ' ALA . 1.0 OUTLIER . . . . . 0 CA--C 1.521 -0.166 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 83' ' ' LEU . . . . . 0.991 HD23 ' H ' ' D' ' 84' ' ' ALA . 0.0 OUTLIER -44.69 -61.11 1.69 Allowed 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 114.922 -1.035 . . . . 0.0 111.255 -179.822 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' D' D ' 84' ' ' ALA . . . . . 0.991 ' H ' HD23 ' D' ' 83' ' ' LEU . . . -66.36 -26.91 67.5 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.126 -179.359 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 85' ' ' ALA . . . . . 0.925 ' HB1' ' HB3' ' D' ' 126' ' ' LEU . . . -53.03 -25.24 11.72 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.968 0.413 . . . . 0.0 110.406 179.514 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 86' ' ' GLU . . . . . 0.404 ' OE1' ' CG ' ' D' ' 123' ' ' HIS . 0.2 OUTLIER -127.04 -44.74 1.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.068 178.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' D' D ' 87' ' ' ARG . . . . . 0.78 ' HB3' ' O ' ' D' ' 83' ' ' LEU . 3.4 ttt180 -57.49 -47.38 82.08 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.063 179.096 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 88' ' ' ALA . . . . . 0.739 ' HB3' ' O ' ' D' ' 84' ' ' ALA . . . -57.55 -48.12 80.18 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.72 179.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 89' ' ' VAL . . . . . 0.816 HG13 ' CD1' ' D' ' 117' ' ' PHE . 50.0 t -61.46 -51.3 74.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.622 179.415 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 7.8 t -54.93 -26.3 35.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.229 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 91' ' ' GLN . . . . . 0.441 ' CB ' ' HB3' ' C' ' 36' ' ' SER . 48.4 mt-30 -72.32 -56.25 5.8 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-O 121.329 0.585 . . . . 0.0 110.048 179.6 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 92' ' ' VAL . . . . . 1.035 HG11 HD22 ' C' ' 18' ' ' LEU . 2.8 t -66.02 -28.21 43.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.494 179.481 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 93' ' ' LEU . . . . . 0.776 HD21 ' HA ' ' D' ' 114' ' ' HIS . 1.7 mt -73.9 -32.22 63.47 Favored 'General case' 0 C--O 1.23 0.066 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.354 179.672 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -86.12 -40.85 15.25 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.853 0.359 . . . . 0.0 111.044 -179.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 95' ' ' SER . . . . . 0.582 ' HB3' HD21 ' C' ' 33' ' ' LEU . 0.6 OUTLIER -79.21 -17.3 55.11 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.466 -179.834 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' D' D ' 96' ' ' LEU . . . . . 0.833 HD13 ' HB3' ' D' ' 110' ' ' LEU . 0.2 OUTLIER -40.23 -47.14 2.4 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.999 0.428 . . . . 0.0 111.941 -179.755 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -68.36 -34.03 75.34 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.234 -179.237 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 98' ' ' GLU . . . . . 0.819 ' O ' ' HB3' ' D' ' 101' ' ' ALA . 0.1 OUTLIER -69.18 -35.43 76.25 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 178.139 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' D' D ' 99' ' ' ILE . . . . . 0.485 ' HB ' ' O ' ' D' ' 96' ' ' LEU . 33.9 mt -59.18 -48.27 87.42 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.729 0 CA-C-N 114.462 -1.244 . . . . 0.0 109.81 178.451 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 100' ' ' HIS . . . . . 0.975 ' HB2' HD11 ' D' ' 110' ' ' LEU . 1.2 t-160 -58.39 -35.57 72.22 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 178.186 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 101' ' ' ALA . . . . . 0.819 ' HB3' ' O ' ' D' ' 98' ' ' GLU . . . -53.78 -44.06 69.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 114.619 -1.173 . . . . 0.0 111.865 179.361 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 102' ' ' LEU . . . . . 0.798 HD21 ' OE2' ' D' ' 98' ' ' GLU . 0.4 OUTLIER -118.09 32.08 6.34 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.619 -0.719 . . . . 0.0 112.692 -177.521 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' D' D ' 103' ' ' THR . . . . . 0.635 HG23 HD12 ' D' ' 102' ' ' LEU . 43.2 p -148.59 -36.98 0.18 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.73 0.3 . . . . 0.0 111.639 179.744 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 77.21 26.73 0.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.041 0.448 . . . . 0.0 110.338 -179.196 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 105' ' ' SER . . . . . . . . . . . . . 3.5 m -61.34 -16.61 47.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.235 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 106' ' ' SER . . . . . . . . . . . . . 1.3 t 77.56 124.94 0.04 OUTLIER 'General case' 0 N--CA 1.461 0.112 0 CA-C-O 120.954 0.407 . . . . 0.0 110.759 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 107' ' ' GLU . . . . . 0.805 ' HA ' HD12 ' D' ' 110' ' ' LEU . 3.6 pt-20 -52.34 -25.8 10.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.185 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.52 -55.18 38.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.083 0.468 . . . . 0.0 110.306 179.714 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 109' ' ' ASP . . . . . 0.509 ' O ' HD12 ' D' ' 113' ' ' LEU . 77.8 m-20 -63.17 -39.08 93.63 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.813 179.093 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 110' ' ' LEU . . . . . 0.975 HD11 ' HB2' ' D' ' 100' ' ' HIS . 31.3 mt -62.94 -36.92 85.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.285 179.393 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 111' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -63.81 -42.63 97.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.442 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 112' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -59.46 -46.65 88.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.392 179.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 113' ' ' LEU . . . . . 0.749 HD23 ' HB1' ' C' ' 14' ' ' ALA . 0.5 OUTLIER -69.92 -41.23 74.93 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.655 179.821 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' D' D ' 114' ' ' HIS . . . . . 0.776 ' HA ' HD21 ' D' ' 93' ' ' LEU . 2.3 t60 -56.98 -31.43 65.04 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 178.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 115' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.11 -38.71 51.66 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 177.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 116' ' ' VAL . . . . . 0.822 ' O ' HD22 ' D' ' 122' ' ' LEU . 3.3 t -59.24 -23.66 25.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 115.178 -0.919 . . . . 0.0 109.624 178.074 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 117' ' ' PHE . . . . . 0.816 ' CD1' HG13 ' D' ' 89' ' ' VAL . 27.2 m-85 -97.28 -48.92 5.15 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.26 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 118' ' ' GLN . . . . . 0.462 ' NE2' ' CE1' ' D' ' 114' ' ' HIS . 0.0 OUTLIER -49.05 -31.39 7.64 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.345 -179.377 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -46.69 119.06 2.27 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.311 -179.684 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 120' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.63 -37.91 89.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.865 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 121' ' ' HIS . . . . . 0.414 ' O ' ' HG ' ' D' ' 125' ' ' LEU . 13.9 m80 -59.06 -38.5 79.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.788 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 122' ' ' LEU . . . . . 0.822 HD22 ' O ' ' D' ' 116' ' ' VAL . 60.8 tp -56.52 -47.59 79.01 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.45 179.745 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 123' ' ' HIS . . . . . 0.944 ' HA ' HD12 ' D' ' 126' ' ' LEU . 50.1 m170 -53.94 -27.22 29.6 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.084 0.469 . . . . 0.0 110.043 178.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 124' ' ' THR . . . . . 0.617 HG21 HG23 ' C' ' 61' ' ' VAL . 1.2 m -74.89 -38.2 61.93 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.491 178.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 125' ' ' LEU . . . . . 0.759 HD13 HG12 ' C' ' 53' ' ' ILE . 1.7 mt -73.18 -29.6 62.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.315 178.38 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 126' ' ' LEU . . . . . 0.944 HD12 ' HA ' ' D' ' 123' ' ' HIS . 9.5 mt -71.27 -50.36 33.49 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.965 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 127' ' ' ASP . . . . . 0.429 ' O ' ' HB2' ' D' ' 131' ' ' LYS . 21.9 m-20 -67.88 -47.54 68.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.854 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 128' ' ' LEU . . . . . 0.834 HD21 ' CD2' ' A' ' 59' ' ' TYR . 64.4 mt -60.49 -35.24 75.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.638 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 129' ' ' TYR . . . . . 0.773 ' CE2' HG23 ' C' ' 43' ' ' ILE . 0.5 OUTLIER -64.01 -50.7 67.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.707 179.931 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' D' D ' 130' ' ' ASP . . . . . 0.841 ' OD2' ' HB2' ' D' ' 85' ' ' ALA . 23.6 m-20 -75.26 -25.7 58.24 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.502 -179.691 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 131' ' ' LYS . . . . . 0.429 ' HB2' ' O ' ' D' ' 127' ' ' ASP . 1.6 tttp -63.91 -52.13 61.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.733 0.301 . . . . 0.0 110.777 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 132' ' ' ILE . . . . . 0.655 HD12 ' O ' ' D' ' 128' ' ' LEU . 3.5 mt -71.91 -35.02 53.0 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 CA-C-O 121.017 0.437 . . . . 0.0 110.469 179.769 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 133' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 . . . . . 0 C--N 1.327 -0.393 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.877 179.913 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.466 ' O ' HG23 ' A' ' 11' ' ' THR . 13.0 ttm180 . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.6 tttm -64.1 -39.4 93.97 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-O 121.105 0.479 . . . . 0.0 109.814 179.093 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 42.3 mm-40 -77.28 -31.62 54.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.126 179.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -77.1 -29.76 55.02 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.13 179.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.466 HG23 ' O ' ' A' ' 7' ' ' ARG . 5.4 p -72.54 -47.56 47.35 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.365 179.7 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.54 ' HA ' HD23 ' A' ' 15' ' ' LEU . 0.7 OUTLIER -65.22 -36.8 85.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.179 179.634 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.71 -24.45 59.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.053 179.053 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.803 ' CB ' HG11 ' B' ' 116' ' ' VAL . . . -77.8 -54.85 5.86 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.592 179.109 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.895 ' HA ' HD12 ' A' ' 18' ' ' LEU . 0.5 OUTLIER -59.63 -29.61 68.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.327 179.498 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -73.12 -44.29 60.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.11 0.481 . . . . 0.0 110.181 179.112 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.81 HD22 ' CE1' ' A' ' 21' ' ' TYR . 1.4 mt -59.6 -48.18 82.66 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.934 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.895 HD12 ' HA ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -62.46 -33.99 75.93 Favored 'General case' 0 CA--C 1.52 -0.199 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.026 179.614 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -57.4 -44.58 84.67 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.237 0.542 . . . . 0.0 110.126 179.456 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -73.04 -32.68 65.24 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.005 179.074 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.81 ' CE1' HD22 ' A' ' 17' ' ' LEU . 7.0 m-30 -65.77 -47.07 76.41 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.401 179.72 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.548 ' HB3' HD13 ' A' ' 37' ' ' ILE . 3.9 ptm180 -60.42 -41.81 94.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.386 179.514 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.446 ' N ' ' HG3' ' A' ' 22' ' ' ARG . 38.1 p -59.14 -35.69 73.94 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.264 179.304 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.2 ptmt -101.74 3.27 39.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.446 179.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.828 HD12 HD11 ' A' ' 37' ' ' ILE . 0.4 OUTLIER -91.5 -66.17 0.95 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.055 0.455 . . . . 0.0 111.107 -179.63 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.448 ' HB3' ' HB2' ' A' ' 34' ' ' ARG . 5.7 p -60.92 -159.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.008 -179.322 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.427 ' OE1' ' NH1' ' A' ' 31' ' ' ARG . 1.6 mp0 58.8 29.64 19.0 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.628 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.712 HG23 ' H ' ' A' ' 29' ' ' GLU . 4.2 t -151.48 -61.31 0.17 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.175 -179.739 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.712 ' H ' HG23 ' A' ' 28' ' ' THR . 26.8 pt-20 -174.43 27.87 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.233 -179.442 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.41 ' HB3' ' HB3' ' A' ' 33' ' ' LEU . 1.8 m-20 -143.05 53.61 1.37 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.583 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.427 ' NH1' ' OE1' ' A' ' 27' ' ' GLN . 11.9 mmm180 -66.41 -52.05 50.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.16 179.679 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -56.65 -47.92 78.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.634 178.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.709 HD21 ' HB3' ' B' ' 95' ' ' SER . 13.7 tp -54.77 -34.12 62.19 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.897 178.726 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.767 ' HA ' HD12 ' A' ' 37' ' ' ILE . 11.2 ttp180 -60.61 -43.28 97.63 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.322 178.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.77 -34.27 74.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.2 178.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.43 ' HB2' ' CB ' ' B' ' 91' ' ' GLN . 5.6 p -62.5 -51.66 66.57 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.533 179.513 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.88 HG23 ' HB3' ' A' ' 18' ' ' LEU . 5.1 mt -55.19 -45.79 77.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.096 179.098 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.79 -43.01 72.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.983 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.482 ' HB2' ' HB1' ' B' ' 88' ' ' ALA . 6.4 mtt180 -55.74 -51.34 67.67 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-O 121.207 0.527 . . . . 0.0 110.104 179.419 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.77 HG11 ' CZ ' ' B' ' 117' ' ' PHE . 11.5 t -60.47 -32.0 50.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.436 179.723 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.834 HD11 ' HB2' ' A' ' 18' ' ' LEU . 6.7 mm -70.35 -55.8 13.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.795 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 38.5 t -61.81 -49.24 77.09 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.042 0.448 . . . . 0.0 110.949 -179.006 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.471 HG23 ' CE2' ' B' ' 129' ' ' TYR . 10.2 mt -59.04 -33.49 50.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.191 179.729 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.775 ' HB3' HD22 ' A' ' 15' ' ' LEU . 2.0 m-85 -72.47 -56.16 5.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 112.085 179.685 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.491 ' HG2' ' O ' ' A' ' 41' ' ' ILE . 6.1 pt20 -81.09 5.22 17.32 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -178.463 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.7 m -53.99 177.52 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.401 0 CA-C-O 120.748 0.309 . . . . 0.0 110.183 179.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.458 ' ND2' ' H ' ' A' ' 47' ' ' ASN . 0.7 OUTLIER -89.19 -51.41 5.6 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.588 -179.552 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.869 ' O ' HD12 ' A' ' 48' ' ' LEU . 1.8 tp -68.38 -38.49 81.41 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.103 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.403 ' HZ ' HD11 ' B' ' 122' ' ' LEU . 59.8 t80 -51.11 -55.92 15.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.7 0.286 . . . . 0.0 111.014 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -59.16 -34.28 71.9 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.007 0.432 . . . . 0.0 109.995 179.179 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.498 ' HB3' ' O ' ' A' ' 48' ' ' LEU . . . -58.93 -45.01 91.41 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.211 179.198 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.508 HD21 ' HB3' ' B' ' 128' ' ' LEU . 1.8 mt -60.74 -44.79 96.22 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.082 179.103 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.602 HG12 HD13 ' B' ' 125' ' ' LEU . 9.8 mt -54.22 -35.96 31.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.248 179.314 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -73.3 -33.97 65.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.307 179.153 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.657 HG22 ' HB2' ' A' ' 59' ' ' TYR . 60.3 mt -66.54 -51.25 59.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.716 179.756 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -51.11 -25.15 4.71 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.344 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -48.24 -32.17 6.84 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.867 0.365 . . . . 0.0 110.907 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -148.77 21.85 1.01 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.121 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.657 ' HB2' HG22 ' A' ' 55' ' ' ILE . 55.5 m-85 -136.21 74.37 1.5 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.567 179.763 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.403 ' HB2' ' HB ' ' C' ' 62' ' ' THR . 3.1 mm-40 -61.22 94.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.744 0.307 . . . . 0.0 111.045 -179.73 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.536 HG23 HG21 ' B' ' 124' ' ' THR . 0.0 OUTLIER -72.87 104.14 1.96 Allowed 'Isoleucine or valine' 0 CA--C 1.522 -0.129 0 CA-C-O 120.871 0.367 . . . . 0.0 110.796 179.654 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.423 ' O ' HD23 ' A' ' 64' ' ' LEU . 12.2 m -85.76 109.62 18.77 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.743 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.421 HD11 ' CZ ' ' C' ' 59' ' ' TYR . 0.2 OUTLIER -84.29 130.01 34.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.568 179.716 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.713 ' N ' HD23 ' A' ' 64' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.346 -179.642 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . 0.523 HD11 ' HG2' ' B' ' 131' ' ' LYS . 8.8 tt . . . . . 0 N--CA 1.449 -0.511 0 CA-C-O 121.273 0.559 . . . . 0.0 110.152 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . 0.881 HD23 ' H ' ' B' ' 84' ' ' ALA . 0.8 OUTLIER -70.79 -34.71 72.05 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.976 -179.703 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 0.995 ' HB1' ' HB2' ' B' ' 88' ' ' ALA . . . -95.1 -16.75 22.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.547 -0.751 . . . . 0.0 112.652 -178.061 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 85' ' ' ALA . . . . . 0.903 ' HB1' ' HB3' ' B' ' 126' ' ' LEU . . . -51.96 -24.27 6.23 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.409 -0.516 . . . . 0.0 110.451 -179.76 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -123.03 -37.73 2.69 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.661 -0.699 . . . . 0.0 109.461 178.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 87' ' ' ARG . . . . . 0.67 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 31.7 ttt85 -65.71 -53.13 45.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.407 179.183 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . 0.995 ' HB2' ' HB1' ' B' ' 84' ' ' ALA . . . -60.38 -33.25 72.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.524 179.601 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 89' ' ' VAL . . . . . 0.473 ' CG1' ' HB3' ' B' ' 117' ' ' PHE . 38.7 t -66.81 -40.03 84.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.984 179.085 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 48.2 t -75.72 -21.79 57.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.624 179.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 91' ' ' GLN . . . . . 0.446 ' NE2' ' HA ' ' B' ' 88' ' ' ALA . 62.8 mt-30 -68.28 -56.9 6.99 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-O 121.266 0.555 . . . . 0.0 109.666 179.522 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 92' ' ' VAL . . . . . 0.839 HG11 HD22 ' A' ' 18' ' ' LEU . 4.2 t -67.84 -28.02 39.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.308 179.393 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 93' ' ' LEU . . . . . 0.634 HD11 ' HB2' ' B' ' 117' ' ' PHE . 0.7 OUTLIER -70.44 -30.07 66.82 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.422 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -87.97 -39.69 14.51 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.867 0.365 . . . . 0.0 111.362 -179.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 95' ' ' SER . . . . . 0.709 ' HB3' HD21 ' A' ' 33' ' ' LEU . 1.1 m -79.79 -16.27 55.86 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.892 -179.421 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . 0.85 HD13 ' HB3' ' B' ' 110' ' ' LEU . 0.1 OUTLIER -37.85 -51.71 1.3 Allowed 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 -179.25 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -69.08 -31.54 70.36 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.178 -179.008 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . 0.823 ' O ' ' HB3' ' B' ' 101' ' ' ALA . 0.0 OUTLIER -69.29 -34.53 74.86 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 178.023 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 99' ' ' ILE . . . . . 0.521 HG12 ' CD1' ' A' ' 25' ' ' LEU . 27.2 mt -60.3 -49.07 85.67 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 CA-C-N 114.476 -1.238 . . . . 0.0 109.9 178.484 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 100' ' ' HIS . . . . . 0.825 ' HB2' HD11 ' B' ' 110' ' ' LEU . 14.9 t-160 -55.37 -39.14 69.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 122.007 0.908 . . . . 0.0 108.551 178.188 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 101' ' ' ALA . . . . . 0.823 ' HB3' ' O ' ' B' ' 98' ' ' GLU . . . -51.39 -46.11 62.72 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 113.879 -1.51 . . . . 0.0 112.075 179.573 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 102' ' ' LEU . . . . . 0.655 HD12 HG23 ' B' ' 103' ' ' THR . 0.4 OUTLIER -116.99 31.87 6.5 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.781 -177.479 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 103' ' ' THR . . . . . 0.655 HG23 HD12 ' B' ' 102' ' ' LEU . 33.2 p -149.51 -31.97 0.22 Allowed 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.967 -0.293 . . . . 0.0 111.656 179.471 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 1.1 t70 68.17 27.9 6.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.006 0.431 . . . . 0.0 110.302 -179.363 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.33 -81.98 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.877 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 164.94 108.09 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.153 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . 0.769 ' HA ' HD12 ' B' ' 110' ' ' LEU . 9.1 pt-20 -48.78 -36.22 16.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.825 0.345 . . . . 0.0 110.745 -179.798 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 1.6 mmmt -63.21 -46.95 84.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.822 179.068 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 109' ' ' ASP . . . . . 0.727 ' O ' HD12 ' B' ' 113' ' ' LEU . 16.6 m-20 -66.46 -34.9 78.98 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.926 178.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 110' ' ' LEU . . . . . 0.85 ' HB3' HD13 ' B' ' 96' ' ' LEU . 65.3 mt -64.66 -43.15 94.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.908 179.251 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -60.63 -41.57 95.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.504 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 112' ' ' PHE . . . . . 0.639 ' O ' HG23 ' B' ' 116' ' ' VAL . 2.7 t80 -59.03 -47.41 85.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.289 179.576 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 113' ' ' LEU . . . . . 0.77 HD11 ' CD1' ' A' ' 17' ' ' LEU . 0.7 OUTLIER -70.07 -33.2 71.61 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.086 179.597 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 114' ' ' HIS . . . . . 0.634 ' O ' ' HG2' ' B' ' 118' ' ' GLN . 1.0 OUTLIER -56.35 -41.39 76.05 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 178.539 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . 0.547 ' HA ' ' HG2' ' B' ' 118' ' ' GLN . 27.9 t -76.23 -34.77 59.22 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.946 178.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 116' ' ' VAL . . . . . 0.809 ' O ' HD22 ' B' ' 122' ' ' LEU . 41.4 t -56.3 -26.1 21.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.524 178.561 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 117' ' ' PHE . . . . . 0.77 ' CZ ' HG11 ' A' ' 40' ' ' VAL . 8.2 m-30 -103.08 -19.32 14.59 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.83 179.402 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 118' ' ' GLN . . . . . 0.634 ' HG2' ' O ' ' B' ' 114' ' ' HIS . 30.1 mm-40 -62.18 -42.88 99.7 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.064 0.459 . . . . 0.0 110.705 179.335 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -42.4 120.88 1.77 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.873 -179.085 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 5.1 tm0? -67.4 -36.7 81.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.287 179.566 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 49.4 m-70 -59.36 -34.86 72.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.385 179.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . 0.809 HD22 ' O ' ' B' ' 116' ' ' VAL . 56.2 tp -56.32 -43.87 79.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.027 179.572 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 123' ' ' HIS . . . . . 0.951 ' HA ' HD12 ' B' ' 126' ' ' LEU . 10.9 m170 -58.38 -27.11 63.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.738 178.788 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 124' ' ' THR . . . . . 0.536 HG21 HG23 ' A' ' 61' ' ' VAL . 1.3 m -72.89 -36.23 67.3 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 178.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . 0.806 HD12 HD12 ' B' ' 122' ' ' LEU . 4.0 mt -73.0 -33.51 65.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.414 178.477 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . 0.951 HD12 ' HA ' ' B' ' 123' ' ' HIS . 4.9 mt -72.91 -50.08 25.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.97 179.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.89 -51.51 64.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.083 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . 0.92 HD21 ' CD2' ' C' ' 59' ' ' TYR . 70.8 mt -60.83 -36.82 80.07 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.908 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 129' ' ' TYR . . . . . 0.604 ' O ' HD23 ' A' ' 48' ' ' LEU . 1.5 t80 -58.94 -52.72 64.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.048 -179.264 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 130' ' ' ASP . . . . . 0.8 ' OD2' ' HB2' ' B' ' 85' ' ' ALA . 16.6 m-20 -77.06 -30.03 55.41 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.228 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 131' ' ' LYS . . . . . 0.523 ' HG2' HD11 ' B' ' 82' ' ' LEU . 2.9 mmtt -56.04 -50.55 70.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.679 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 132' ' ' ILE . . . . . 0.617 HD12 ' O ' ' B' ' 128' ' ' LEU . 2.9 mt -75.87 -39.02 37.5 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.606 179.644 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 133' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -65.2 -30.04 70.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.151 -179.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 85.6 m -96.78 -58.7 1.97 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.913 -179.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 2.1 mmtt -56.5 -60.57 3.34 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.012 -179.528 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.622 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 7' ' ' ARG . . . . . 0.847 ' O ' HG23 ' C' ' 11' ' ' THR . 1.1 ttm-85 . . . . . 0 N--CA 1.45 -0.438 0 CA-C-O 120.354 0.121 . . . . 0.0 110.692 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 8' ' ' LYS . . . . . 0.673 ' CB ' HG21 ' C' ' 53' ' ' ILE . 0.0 OUTLIER -73.6 -21.65 60.26 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 178.441 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' C' C ' 9' ' ' GLN . . . . . 0.423 ' NE2' ' HD2' ' C' ' 8' ' ' LYS . 2.0 mp0 -75.0 -43.09 55.85 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.672 178.777 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 10' ' ' ASP . . . . . 0.692 ' HB2' HG22 ' D' ' 116' ' ' VAL . 8.3 p30 -72.83 -28.35 62.49 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.028 179.34 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 11' ' ' THR . . . . . 0.847 HG23 ' O ' ' C' ' 7' ' ' ARG . 42.7 p -68.24 -44.6 75.33 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.661 179.745 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -66.7 -44.94 80.34 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 120.902 0.382 . . . . 0.0 110.603 179.637 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 13' ' ' ARG . . . . . 0.407 ' HB3' ' CZ ' ' D' ' 112' ' ' PHE . 7.8 ttm-85 -66.21 -25.25 66.83 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.153 179.297 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 14' ' ' ALA . . . . . 0.937 ' CB ' HG11 ' D' ' 116' ' ' VAL . . . -78.73 -55.3 5.28 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 178.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 15' ' ' LEU . . . . . 0.867 ' HA ' HD12 ' C' ' 18' ' ' LEU . 0.3 OUTLIER -62.53 -28.38 69.81 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.606 179.374 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' C' C ' 16' ' ' HIS . . . . . . . . . . . . . 19.5 t-80 -72.96 -45.58 57.18 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 178.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . 0.936 HD22 ' CE1' ' C' ' 21' ' ' TYR . 1.8 mt -62.2 -36.98 83.58 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.395 178.703 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . 0.934 ' CD2' HG11 ' D' ' 92' ' ' VAL . 43.5 mt -60.45 -50.72 72.46 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.069 -0.969 . . . . 0.0 110.853 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 19' ' ' GLU . . . . . 0.454 ' O ' ' HG3' ' C' ' 22' ' ' ARG . 1.9 tt0 -58.78 -35.07 72.21 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.121 0.486 . . . . 0.0 110.787 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 20' ' ' GLU . . . . . 0.508 ' O ' ' HG3' ' C' ' 24' ' ' LYS . 5.3 mm-40 -75.35 -38.25 60.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.325 179.544 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 21' ' ' TYR . . . . . 0.936 ' CE1' HD22 ' C' ' 17' ' ' LEU . 14.7 m-30 -67.3 -48.91 66.23 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.678 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 22' ' ' ARG . . . . . 0.454 ' HG3' ' O ' ' C' ' 19' ' ' GLU . 0.0 OUTLIER -57.58 -43.38 84.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.881 0.372 . . . . 0.0 110.36 179.348 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 16.0 p -59.49 -35.37 73.99 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.761 179.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 24' ' ' LYS . . . . . 0.508 ' HG3' ' O ' ' C' ' 20' ' ' GLU . 0.0 OUTLIER -109.34 15.72 22.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.471 -179.933 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' C' C ' 25' ' ' LEU . . . . . 0.811 HD12 HD11 ' C' ' 37' ' ' ILE . 0.0 OUTLIER -105.28 -64.5 1.13 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.12 0.486 . . . . 0.0 110.101 179.585 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . 0.465 ' OG ' ' CG ' ' C' ' 34' ' ' ARG . 0.9 OUTLIER -59.6 -158.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.06 -179.572 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' C' C ' 27' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 60.39 28.95 18.61 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 120.952 0.406 . . . . 0.0 110.419 -179.696 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 28' ' ' THR . . . . . 0.686 HG23 ' H ' ' C' ' 29' ' ' GLU . 3.5 t -150.01 -59.29 0.2 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.717 -179.595 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 29' ' ' GLU . . . . . 0.686 ' H ' HG23 ' C' ' 28' ' ' THR . 17.3 pt-20 -175.31 28.12 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.267 -0.878 . . . . 0.0 111.252 -179.492 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -140.72 43.55 1.84 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.057 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.79 -55.11 38.39 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.436 0.636 . . . . 0.0 110.503 179.796 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -52.74 -42.57 65.05 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.636 178.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 33' ' ' LEU . . . . . 0.536 ' CD2' HD11 ' C' ' 25' ' ' LEU . 5.1 tp -57.06 -35.44 69.36 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.977 178.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 34' ' ' ARG . . . . . 0.465 ' CG ' ' OG ' ' C' ' 26' ' ' SER . 1.4 ttt180 -60.34 -45.16 94.43 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.511 178.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 15.0 m -59.12 -35.06 72.8 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.239 179.15 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 36' ' ' SER . . . . . 0.517 ' O ' ' HG2' ' C' ' 39' ' ' ARG . 0.1 OUTLIER -70.06 -48.68 56.82 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.059 0.457 . . . . 0.0 110.306 179.507 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' C' C ' 37' ' ' ILE . . . . . 0.811 HD11 HD12 ' C' ' 25' ' ' LEU . 69.0 mt -60.33 -38.35 77.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.856 178.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 38' ' ' GLU . . . . . 0.406 ' HA ' HG12 ' C' ' 41' ' ' ILE . 1.4 mt-10 -64.7 -51.08 64.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.154 -0.93 . . . . 0.0 112.115 -179.635 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 39' ' ' ARG . . . . . 0.73 ' HG3' ' HB1' ' D' ' 88' ' ' ALA . 4.3 ptp180 -55.17 -40.26 70.49 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.19 -179.53 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . 0.456 ' CG1' ' CD1' ' C' ' 44' ' ' PHE . 92.4 t -62.21 -40.25 86.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 178.28 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 41' ' ' ILE . . . . . 0.652 HG12 ' O ' ' C' ' 37' ' ' ILE . 11.6 mm -55.38 -57.28 7.95 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.178 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.36 179.438 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 13.8 t -59.96 -47.4 85.96 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.917 0.389 . . . . 0.0 110.713 -179.336 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 43' ' ' ILE . . . . . 0.459 ' O ' ' CG ' ' C' ' 49' ' ' PHE . 18.0 mt -60.34 -34.39 57.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.155 179.306 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 44' ' ' PHE . . . . . 0.722 ' HB3' HD22 ' C' ' 15' ' ' LEU . 1.6 m-85 -71.99 -57.19 4.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.511 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 45' ' ' GLN . . . . . 0.439 ' NE2' HG22 ' C' ' 41' ' ' ILE . 4.3 pt20 -80.48 1.61 28.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.576 -179.35 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 46' ' ' SER . . . . . 0.473 ' HG ' ' HH ' ' D' ' 129' ' ' TYR . 0.5 OUTLIER -48.2 148.44 1.83 Allowed 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 121.042 0.449 . . . . 0.0 111.231 -179.696 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -64.07 -40.35 96.06 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.012 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . 0.857 ' O ' HD12 ' C' ' 48' ' ' LEU . 1.0 OUTLIER -79.49 -44.57 21.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.104 -179.859 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' C' C ' 49' ' ' PHE . . . . . 0.63 ' HE1' HD11 ' C' ' 53' ' ' ILE . 19.2 t80 -51.21 -53.52 34.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.16 -179.602 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -60.42 -40.33 90.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.455 179.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.7 -39.41 84.5 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.314 -0.403 . . . . 0.0 109.992 179.106 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 52' ' ' LEU . . . . . 0.558 HD13 ' O ' ' D' ' 125' ' ' LEU . 1.7 mt -61.15 -43.57 98.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.749 178.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 53' ' ' ILE . . . . . 0.731 HG12 HD13 ' D' ' 125' ' ' LEU . 46.8 mt -54.69 -46.77 73.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.367 179.117 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -59.0 -39.57 82.25 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.566 179.62 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 55' ' ' ILE . . . . . 0.715 HG22 ' HB2' ' C' ' 59' ' ' TYR . 64.2 mt -58.14 -43.06 84.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.842 179.724 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.61 -22.9 5.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.818 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 57' ' ' GLU . . . . . 0.4 ' O ' ' CG ' ' C' ' 58' ' ' PHE . 11.7 pt-20 -47.87 -30.96 4.53 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.724 0.297 . . . . 0.0 111.549 -179.686 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 58' ' ' PHE . . . . . 0.4 ' CG ' ' O ' ' C' ' 57' ' ' GLU . 46.0 m-85 -158.13 26.66 0.26 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.704 -179.64 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 59' ' ' TYR . . . . . 0.92 ' CD2' HD21 ' B' ' 128' ' ' LEU . 49.4 m-85 -132.1 71.66 1.48 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.851 0.358 . . . . 0.0 110.802 179.695 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 60' ' ' GLU . . . . . 0.42 ' HB2' ' HB ' ' A' ' 62' ' ' THR . 2.2 mm-40 -58.14 95.18 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.753 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 61' ' ' VAL . . . . . 0.456 ' CG2' HG21 ' D' ' 124' ' ' THR . 0.0 OUTLIER -72.39 97.28 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.965 0.412 . . . . 0.0 110.645 179.906 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' C' C ' 62' ' ' THR . . . . . 0.403 ' HB ' ' HB2' ' A' ' 60' ' ' GLU . 1.3 m -85.6 110.94 19.61 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.085 -179.624 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 63' ' ' LEU . . . . . 0.614 HD12 ' CE1' ' A' ' 59' ' ' TYR . 0.3 OUTLIER -81.55 137.74 35.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.006 179.247 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' C' C ' 64' ' ' LEU . . . . . 0.635 HD23 ' N ' ' C' ' 64' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 -179.023 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 82' ' ' LEU . . . . . 0.456 HD23 ' O ' ' D' ' 82' ' ' LEU . 8.5 tt . . . . . 0 N--CA 1.448 -0.56 0 CA-C-O 121.179 0.514 . . . . 0.0 110.049 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 83' ' ' LEU . . . . . 0.924 HD23 ' H ' ' D' ' 84' ' ' ALA . 0.8 OUTLIER -66.03 -38.01 87.34 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.341 179.741 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' D' D ' 84' ' ' ALA . . . . . 1.107 ' HB1' ' HB2' ' D' ' 88' ' ' ALA . . . -81.11 -16.87 51.84 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.633 -179.072 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 85' ' ' ALA . . . . . 0.82 ' HB1' ' CB ' ' D' ' 126' ' ' LEU . . . -52.14 -23.14 4.98 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.219 -0.592 . . . . 0.0 109.658 179.057 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 86' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -127.78 -37.51 1.94 Allowed 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.81 178.611 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 87' ' ' ARG . . . . . 0.628 ' HB3' ' O ' ' D' ' 83' ' ' LEU . 35.9 ttt85 -69.51 -35.8 75.84 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.793 179.721 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 88' ' ' ALA . . . . . 1.107 ' HB2' ' HB1' ' D' ' 84' ' ' ALA . . . -75.44 -42.75 52.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.918 -179.629 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 89' ' ' VAL . . . . . 0.74 HG13 ' CD1' ' D' ' 117' ' ' PHE . 42.9 t -70.98 -36.49 63.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.16 179.342 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 90' ' ' SER . . . . . 0.443 ' HA ' ' HB2' ' D' ' 93' ' ' LEU . 86.4 p -75.2 -27.42 59.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.475 179.131 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 91' ' ' GLN . . . . . 0.405 ' HB3' ' HB3' ' C' ' 36' ' ' SER . 5.9 mt-30 -65.46 -57.3 8.62 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.683 179.49 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 92' ' ' VAL . . . . . 0.934 HG11 ' CD2' ' C' ' 18' ' ' LEU . 11.7 t -66.03 -27.98 42.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.884 179.029 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 93' ' ' LEU . . . . . 0.706 HD21 ' HA ' ' D' ' 114' ' ' HIS . 3.1 mt -65.39 -32.9 74.77 Favored 'General case' 0 N--CA 1.458 -0.047 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.056 179.665 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.05 -38.0 18.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.764 0.316 . . . . 0.0 111.263 -179.533 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 95' ' ' SER . . . . . 0.473 ' HB2' HD11 ' C' ' 33' ' ' LEU . 0.3 OUTLIER -80.13 -22.42 42.12 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.244 -0.435 . . . . 0.0 112.169 -179.275 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' D' D ' 96' ' ' LEU . . . . . 0.92 HD22 HD22 ' D' ' 110' ' ' LEU . 0.2 OUTLIER -38.32 -52.28 1.52 Allowed 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -179.16 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -67.62 -30.5 70.09 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.204 -179.288 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 98' ' ' GLU . . . . . 0.807 ' O ' ' HB3' ' D' ' 101' ' ' ALA . 0.1 OUTLIER -69.83 -34.59 73.86 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 177.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' D' D ' 99' ' ' ILE . . . . . 0.61 HG23 HG21 ' D' ' 103' ' ' THR . 37.7 mt -61.51 -49.35 84.78 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.785 0 CA-C-N 114.595 -1.184 . . . . 0.0 109.646 178.452 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 100' ' ' HIS . . . . . 0.794 ' HB2' HD11 ' D' ' 110' ' ' LEU . 1.9 t-160 -55.98 -34.84 66.11 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 178.105 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 101' ' ' ALA . . . . . 0.807 ' HB3' ' O ' ' D' ' 98' ' ' GLU . . . -55.37 -45.82 76.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.413 -1.267 . . . . 0.0 111.927 179.405 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 102' ' ' LEU . . . . . 0.804 HD21 ' OE2' ' D' ' 98' ' ' GLU . 0.4 OUTLIER -117.18 28.52 8.45 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.577 -0.738 . . . . 0.0 112.757 -177.452 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' D' D ' 103' ' ' THR . . . . . 0.656 HG23 HD12 ' D' ' 102' ' ' LEU . 45.0 p -141.49 -35.89 0.45 Allowed 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 121.018 -0.273 . . . . 0.0 111.262 179.646 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 3.6 t0 74.87 27.53 1.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.003 0.43 . . . . 0.0 110.356 -179.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 105' ' ' SER . . . . . 0.436 ' HB3' ' CZ ' ' C' ' 21' ' ' TYR . 13.8 m -65.86 -10.18 35.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.281 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 106' ' ' SER . . . . . 0.42 ' CB ' ' O ' ' D' ' 105' ' ' SER . 3.9 t 81.63 121.7 0.05 OUTLIER 'General case' 0 C--O 1.233 0.196 0 CA-C-O 121.049 0.452 . . . . 0.0 110.996 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -54.03 -23.85 15.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.868 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.5 -54.23 48.01 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.055 0.455 . . . . 0.0 109.878 179.382 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 109' ' ' ASP . . . . . 0.533 ' O ' HD12 ' D' ' 113' ' ' LEU . 8.6 m-20 -59.85 -40.37 88.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.65 178.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 110' ' ' LEU . . . . . 0.92 HD22 HD22 ' D' ' 96' ' ' LEU . 26.5 mt -59.66 -48.04 83.25 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.008 178.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 111' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -51.51 -44.72 62.66 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.788 179.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 112' ' ' PHE . . . . . 0.664 ' O ' HG23 ' D' ' 116' ' ' VAL . 4.7 t80 -60.51 -42.71 96.96 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.762 179.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 113' ' ' LEU . . . . . 0.697 HD11 ' CD1' ' C' ' 17' ' ' LEU . 0.4 OUTLIER -71.93 -37.9 69.95 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.401 -179.517 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' D' D ' 114' ' ' HIS . . . . . 0.706 ' HA ' HD21 ' D' ' 93' ' ' LEU . 98.7 m-70 -58.28 -34.38 70.47 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 178.302 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 115' ' ' SER . . . . . . . . . . . . . 22.5 t -74.75 -37.15 62.56 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 178.366 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 116' ' ' VAL . . . . . 0.937 HG11 ' CB ' ' C' ' 14' ' ' ALA . 43.0 t -61.87 -26.45 39.94 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 CA-C-N 115.261 -0.881 . . . . 0.0 109.873 178.451 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 117' ' ' PHE . . . . . 0.74 ' CD1' HG13 ' D' ' 89' ' ' VAL . 33.3 m-85 -99.14 -30.45 12.29 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.996 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 118' ' ' GLN . . . . . 0.427 ' NE2' HD11 ' D' ' 93' ' ' LEU . 0.0 OUTLIER -65.1 -28.79 69.69 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.377 -179.486 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -43.09 128.89 4.56 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.961 0.41 . . . . 0.0 111.64 -179.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 120' ' ' GLN . . . . . . . . . . . . . 9.1 tp60 -69.91 -49.02 56.15 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.699 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 121' ' ' HIS . . . . . . . . . . . . . 54.2 m80 -55.87 -34.1 65.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.432 179.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 122' ' ' LEU . . . . . 0.855 HD22 ' O ' ' D' ' 116' ' ' VAL . 52.6 tp -55.98 -49.28 74.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.139 179.56 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 123' ' ' HIS . . . . . 0.792 ' HA ' HD12 ' D' ' 126' ' ' LEU . 11.0 m-70 -53.01 -26.94 17.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.227 179.096 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 124' ' ' THR . . . . . 0.712 HG22 HD11 ' D' ' 128' ' ' LEU . 6.5 m -75.98 -33.83 59.76 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.881 179.239 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 125' ' ' LEU . . . . . 0.776 HD12 HD12 ' D' ' 122' ' ' LEU . 16.2 mt -65.37 -44.71 86.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.275 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 126' ' ' LEU . . . . . 0.82 ' CB ' ' HB1' ' D' ' 85' ' ' ALA . 0.2 OUTLIER -71.59 -39.48 70.51 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.694 0.283 . . . . 0.0 110.961 -179.737 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' D' D ' 127' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -59.84 -53.12 61.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.082 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 128' ' ' LEU . . . . . 0.712 HD11 HG22 ' D' ' 124' ' ' THR . 4.7 mt -70.81 -33.15 70.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.835 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 129' ' ' TYR . . . . . 0.473 ' HH ' ' HG ' ' C' ' 46' ' ' SER . 2.2 t80 -55.99 -51.83 66.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.045 0.45 . . . . 0.0 110.688 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 130' ' ' ASP . . . . . 0.66 ' OD2' ' HB2' ' D' ' 85' ' ' ALA . 39.9 m-20 -76.86 -29.88 56.05 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.149 179.571 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 131' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.41 -48.61 81.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.909 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 132' ' ' ILE . . . . . 0.596 HD12 ' O ' ' D' ' 128' ' ' LEU . 2.9 mt -74.98 -39.5 44.55 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 CA-C-O 121.024 0.44 . . . . 0.0 110.616 179.709 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 133' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 . . . . . 0 N--CA 1.452 -0.328 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.957 -179.92 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.408 0 CA-C-O 120.631 0.253 . . . . 0.0 110.322 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.6 tttm -63.73 -39.17 93.63 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 179.059 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 53.6 mm-40 -74.49 -28.94 61.23 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.926 178.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.632 ' HB3' HG22 ' B' ' 116' ' ' VAL . 96.0 m-20 -79.79 -30.05 40.51 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.473 179.591 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.696 HG22 ' CE1' ' A' ' 44' ' ' PHE . 1.5 p -73.03 -40.4 65.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.52 179.59 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.53 ' HA ' HD23 ' A' ' 15' ' ' LEU . 0.7 OUTLIER -71.06 -43.14 68.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.246 179.517 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.5 tpm_? -71.2 -24.01 62.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.99 179.121 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.791 ' CB ' HG11 ' B' ' 116' ' ' VAL . . . -78.62 -53.65 6.95 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.64 179.049 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.847 ' O ' HD12 ' A' ' 41' ' ' ILE . 0.4 OUTLIER -63.24 -28.73 70.23 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.858 179.637 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -73.87 -44.26 55.99 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-O 121.067 0.461 . . . . 0.0 110.087 179.151 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.908 HD22 ' CE1' ' A' ' 21' ' ' TYR . 1.4 mt -61.5 -49.44 76.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.69 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 1.032 HD22 HG11 ' B' ' 92' ' ' VAL . 1.2 mt -61.94 -35.7 79.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.454 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.501 ' HG3' HG21 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -58.02 -43.75 86.91 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.248 0.547 . . . . 0.0 110.063 179.197 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.42 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 5.3 mt-10 -73.37 -33.22 64.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.847 179.065 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.908 ' CE1' HD22 ' A' ' 17' ' ' LEU . 6.8 m-30 -64.29 -48.29 76.26 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.389 179.698 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.535 ' HB3' HD13 ' A' ' 37' ' ' ILE . 3.8 ptm180 -59.3 -44.03 92.57 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.779 0.323 . . . . 0.0 110.403 179.533 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.429 ' N ' ' HG3' ' A' ' 22' ' ' ARG . 26.8 m -57.91 -32.86 68.15 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.362 179.279 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.42 ' HG3' ' O ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -111.59 13.89 21.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.177 179.721 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.797 ' CD1' HD11 ' A' ' 37' ' ' ILE . 0.2 OUTLIER -100.18 -64.1 1.07 Allowed 'General case' 0 CA--C 1.52 -0.201 0 CA-C-O 121.082 0.468 . . . . 0.0 110.367 179.699 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.424 ' HB2' ' HB2' ' A' ' 34' ' ' ARG . 35.6 t -64.91 -148.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.387 -179.742 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.41 ' OE1' ' NH1' ' A' ' 31' ' ' ARG . 1.0 OUTLIER 54.79 24.88 6.04 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 121.159 0.504 . . . . 0.0 110.399 -179.548 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.606 HG23 ' N ' ' A' ' 29' ' ' GLU . 6.2 t -149.01 -55.36 0.19 Allowed 'General case' 0 CA--C 1.516 -0.329 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.516 -179.218 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.606 ' N ' HG23 ' A' ' 28' ' ' THR . 16.6 pt-20 -176.59 28.03 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.398 -179.484 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.484 ' HB3' ' HB3' ' A' ' 33' ' ' LEU . 0.1 OUTLIER -138.73 53.69 1.77 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.901 0.381 . . . . 0.0 110.713 -179.778 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.41 ' NH1' ' OE1' ' A' ' 27' ' ' GLN . 15.9 mmm180 -66.31 -53.39 37.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.15 0.5 . . . . 0.0 110.03 179.694 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 20.5 tp60 -59.98 -47.42 85.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.518 178.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.693 HD21 ' HB3' ' B' ' 95' ' ' SER . 13.7 tp -55.27 -33.58 63.33 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.121 178.803 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.693 ' HA ' HD12 ' A' ' 37' ' ' ILE . 6.4 ttp180 -60.38 -48.96 79.49 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.285 179.033 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.4 m -57.96 -31.56 66.99 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.256 178.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.456 ' HB2' ' HB3' ' B' ' 91' ' ' GLN . 1.1 p -65.89 -51.52 57.99 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.093 0.473 . . . . 0.0 110.547 179.536 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.84 HG23 ' HB3' ' A' ' 18' ' ' LEU . 6.2 mt -55.31 -42.94 69.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.263 0.554 . . . . 0.0 109.552 178.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -55.45 -43.68 75.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.986 -1.006 . . . . 0.0 110.835 179.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.454 ' HD2' ' HA ' ' A' ' 36' ' ' SER . 13.3 mtt180 -55.57 -50.39 70.2 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-O 121.309 0.576 . . . . 0.0 109.924 179.382 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.573 HG12 ' CD2' ' A' ' 44' ' ' PHE . 86.6 t -59.93 -34.17 55.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.478 179.707 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.847 HD12 ' O ' ' A' ' 15' ' ' LEU . 6.7 mm -70.24 -54.61 17.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.55 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 26.2 t -62.45 -47.96 81.75 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-O 120.849 0.357 . . . . 0.0 110.947 -179.134 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.808 HG23 ' CE2' ' B' ' 129' ' ' TYR . 8.7 mt -59.83 -32.92 50.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.206 179.502 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.787 ' HB3' HD22 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -71.95 -56.7 5.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.056 -0.52 . . . . 0.0 112.141 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.477 ' HG2' ' O ' ' A' ' 41' ' ' ILE . 5.8 pt20 -78.16 -0.65 29.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 112.002 -178.495 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.411 ' OG ' ' CE1' ' B' ' 129' ' ' TYR . 0.2 OUTLIER -51.62 130.96 29.36 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.824 0.345 . . . . 0.0 110.822 179.898 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -50.44 -34.55 25.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.569 -179.472 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.79 ' O ' HD12 ' A' ' 48' ' ' LEU . 1.7 tp -79.25 -43.55 23.52 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.261 -179.74 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.505 ' CE2' HD11 ' A' ' 53' ' ' ILE . 28.8 t80 -51.17 -54.61 23.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.691 0.281 . . . . 0.0 111.285 -179.597 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -54.09 -38.91 65.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.949 0.404 . . . . 0.0 110.712 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.639 ' CB ' HG23 ' D' ' 132' ' ' ILE . . . -58.94 -46.84 87.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.644 179.629 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.574 HD22 HD12 ' B' ' 128' ' ' LEU . 3.4 mt -60.32 -45.97 91.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.39 179.459 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.563 HG12 HD13 ' B' ' 125' ' ' LEU . 50.1 mt -54.45 -36.44 34.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.662 179.483 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.16 -36.1 74.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.255 179.344 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.736 HG22 ' HB2' ' A' ' 59' ' ' TYR . 99.7 mt -63.38 -43.42 98.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.722 179.597 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.465 HE21 HD21 ' B' ' 125' ' ' LEU . 4.0 tt0 -52.53 -22.18 4.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.49 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.421 ' O ' ' CD1' ' A' ' 58' ' ' PHE . 36.2 mt-10 -45.08 -34.57 2.64 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.394 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.421 ' CD1' ' O ' ' A' ' 57' ' ' GLU . 27.7 m-85 -157.58 25.5 0.28 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.622 -179.715 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.858 ' CE2' HD11 ' C' ' 63' ' ' LEU . 11.6 m-85 -129.93 70.44 1.43 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.703 179.601 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.456 ' HB2' ' HB ' ' C' ' 62' ' ' THR . 1.5 mt-10 -58.58 94.48 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.837 0.351 . . . . 0.0 111.043 -179.769 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.611 HG12 HG13 ' C' ' 61' ' ' VAL . 0.0 OUTLIER -72.94 104.51 2.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.117 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.8 m -87.01 120.56 28.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.483 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.442 ' CD1' ' CE2' ' C' ' 59' ' ' TYR . 0.1 OUTLIER -91.41 129.64 37.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 179.897 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.664 ' N ' HD23 ' A' ' 64' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.36 -179.716 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . 0.656 HD23 ' O ' ' B' ' 82' ' ' LEU . 9.3 tt . . . . . 0 N--CA 1.448 -0.568 0 CA-C-O 121.242 0.544 . . . . 0.0 110.195 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . 0.997 HD23 ' H ' ' B' ' 84' ' ' ALA . 0.7 OUTLIER -67.96 -39.18 83.42 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.959 -179.768 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 0.997 ' H ' HD23 ' B' ' 83' ' ' LEU . . . -75.47 -21.51 58.03 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.454 -178.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 85' ' ' ALA . . . . . 0.98 ' HB1' ' HB2' ' B' ' 126' ' ' LEU . . . -52.55 -24.61 8.52 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.134 0.492 . . . . 0.0 110.207 179.44 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -124.8 -42.39 2.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.544 178.697 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 87' ' ' ARG . . . . . 0.633 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 33.6 ttt85 -61.05 -46.63 89.93 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.195 178.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . 0.829 ' HB2' ' HB1' ' B' ' 84' ' ' ALA . . . -69.02 -46.06 68.94 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.843 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 89' ' ' VAL . . . . . 0.791 HG13 ' CD1' ' B' ' 117' ' ' PHE . 60.7 t -56.83 -50.34 75.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.519 179.416 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 15.6 t -70.93 -21.15 62.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.683 179.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 91' ' ' GLN . . . . . 0.456 ' HB3' ' HB2' ' A' ' 36' ' ' SER . 0.3 OUTLIER -67.51 -57.68 6.08 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-O 121.389 0.614 . . . . 0.0 110.073 179.744 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 92' ' ' VAL . . . . . 1.032 HG11 HD22 ' A' ' 18' ' ' LEU . 4.9 t -68.59 -27.97 38.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.157 179.33 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 93' ' ' LEU . . . . . 0.662 HD11 ' HB2' ' B' ' 117' ' ' PHE . 0.7 OUTLIER -70.88 -28.5 64.61 Favored 'General case' 0 C--O 1.231 0.096 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 179.411 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -88.08 -37.04 16.58 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.822 0.344 . . . . 0.0 111.465 -179.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 95' ' ' SER . . . . . 0.693 ' HB3' HD21 ' A' ' 33' ' ' LEU . 2.3 m -79.84 -16.76 54.81 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.233 -0.439 . . . . 0.0 112.0 -179.474 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . 0.897 HD22 ' CD2' ' B' ' 110' ' ' LEU . 0.1 OUTLIER -39.5 -52.14 2.14 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -179.447 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -65.4 -30.44 71.26 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.123 -179.189 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . 0.827 ' O ' ' HB3' ' B' ' 101' ' ' ALA . 0.1 OUTLIER -70.97 -35.98 72.37 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 178.334 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 99' ' ' ILE . . . . . 0.719 HG23 HG21 ' B' ' 103' ' ' THR . 59.2 mt -61.57 -49.32 84.87 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.718 0 CA-C-N 114.646 -1.161 . . . . 0.0 109.562 178.357 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 100' ' ' HIS . . . . . 0.46 ' HB2' ' CD1' ' B' ' 110' ' ' LEU . 8.6 t-160 -53.52 -37.5 62.85 Favored 'General case' 0 CA--C 1.516 -0.354 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 177.725 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 101' ' ' ALA . . . . . 0.827 ' HB3' ' O ' ' B' ' 98' ' ' GLU . . . -55.11 -44.95 75.44 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 113.889 -1.505 . . . . 0.0 111.973 179.437 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 102' ' ' LEU . . . . . 0.79 HD21 ' OE2' ' B' ' 98' ' ' GLU . 0.5 OUTLIER -121.36 31.37 6.35 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 113.229 0.825 . . . . 0.0 113.229 -177.218 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 103' ' ' THR . . . . . 0.719 HG21 HG23 ' B' ' 99' ' ' ILE . 44.2 p -146.19 -38.47 0.23 Allowed 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.843 -0.343 . . . . 0.0 111.622 179.439 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 1.8 t0 75.8 28.69 0.87 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.935 0.398 . . . . 0.0 110.18 -179.202 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 105' ' ' SER . . . . . 0.407 ' O ' ' CB ' ' B' ' 106' ' ' SER . 3.7 m -60.63 -15.2 25.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.551 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 106' ' ' SER . . . . . 0.407 ' CB ' ' O ' ' B' ' 105' ' ' SER . 0.3 OUTLIER 79.11 127.25 0.05 OUTLIER 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 120.873 0.368 . . . . 0.0 110.643 -179.767 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . 0.535 ' HA ' HD12 ' B' ' 110' ' ' LEU . 3.3 mt-10 -57.48 -20.79 33.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.23 -179.759 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 10.1 mmtm -63.01 -55.39 26.09 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.995 0.426 . . . . 0.0 110.195 179.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 109' ' ' ASP . . . . . 0.689 ' O ' HD12 ' B' ' 113' ' ' LEU . 15.9 m-20 -66.42 -34.98 79.16 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.751 178.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 110' ' ' LEU . . . . . 0.897 ' CD2' HD22 ' B' ' 96' ' ' LEU . 14.3 mt -67.0 -37.23 83.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.37 179.369 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -65.41 -40.84 93.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.307 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 112' ' ' PHE . . . . . 0.526 ' O ' HG23 ' B' ' 116' ' ' VAL . 0.4 OUTLIER -60.6 -47.3 86.8 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.169 179.435 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 113' ' ' LEU . . . . . 0.719 HD11 ' CD1' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -68.97 -39.34 79.5 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.219 179.537 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 114' ' ' HIS . . . . . 0.698 ' HD2' HD12 ' B' ' 96' ' ' LEU . 0.2 OUTLIER -53.2 -38.82 63.19 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 178.939 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . 0.503 ' HA ' ' HB2' ' B' ' 118' ' ' GLN . 1.5 m -74.81 -34.79 62.43 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.613 178.594 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 116' ' ' VAL . . . . . 0.814 ' O ' HD22 ' B' ' 122' ' ' LEU . 29.5 t -56.23 -23.79 16.83 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.071 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.443 178.468 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 117' ' ' PHE . . . . . 0.791 ' CD1' HG13 ' B' ' 89' ' ' VAL . 68.9 m-85 -108.26 -20.27 13.2 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.183 179.375 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 118' ' ' GLN . . . . . 0.569 ' HG2' ' O ' ' B' ' 114' ' ' HIS . 14.7 mm-40 -61.13 -39.63 90.75 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-O 120.995 0.426 . . . . 0.0 110.596 179.433 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -44.23 138.63 2.96 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.966 -179.164 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -81.57 -42.88 19.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.44 179.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -55.91 -33.77 64.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.339 179.301 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . 0.814 HD22 ' O ' ' B' ' 116' ' ' VAL . 55.1 tp -55.38 -46.43 76.51 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.846 179.641 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 123' ' ' HIS . . . . . 0.679 ' HA ' ' CD1' ' B' ' 126' ' ' LEU . 0.0 OUTLIER -53.2 -28.08 24.89 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 121.165 0.507 . . . . 0.0 109.872 178.66 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 124' ' ' THR . . . . . 0.547 HG21 HG23 ' A' ' 61' ' ' VAL . 2.8 m -77.16 -32.62 56.34 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.167 179.381 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . 0.738 HD12 HD12 ' B' ' 122' ' ' LEU . 20.9 mt -68.2 -43.77 77.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.31 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . 0.98 ' HB2' ' HB1' ' B' ' 85' ' ' ALA . 0.2 OUTLIER -73.39 -37.18 66.05 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.735 179.925 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.68 -53.09 62.09 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.324 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . 0.863 HD21 ' CD2' ' C' ' 59' ' ' TYR . 4.5 mt -70.99 -35.15 71.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.145 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 129' ' ' TYR . . . . . 0.808 ' CE2' HG23 ' A' ' 43' ' ' ILE . 0.4 OUTLIER -55.17 -50.75 68.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.038 -179.451 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 130' ' ' ASP . . . . . 0.782 ' OD2' ' HB2' ' B' ' 85' ' ' ALA . 14.2 m-20 -75.72 -33.54 60.31 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.327 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -54.88 -50.14 69.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.04 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 132' ' ' ILE . . . . . 0.677 HD12 ' O ' ' B' ' 128' ' ' LEU . 2.0 mt -76.75 -38.69 30.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.968 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 133' ' ' ASN . . . . . 0.46 ' HB2' HD23 ' A' ' 48' ' ' LEU . 8.7 t-20 -65.79 -25.78 67.4 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.558 -179.207 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 134' ' ' THR . . . . . 0.698 HG22 ' HD3' ' B' ' 135' ' ' LYS . 90.1 m -78.97 -49.68 12.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.834 0.35 . . . . 0.0 110.824 -179.771 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 135' ' ' LYS . . . . . 0.698 ' HD3' HG22 ' B' ' 134' ' ' THR . 0.2 OUTLIER 165.57 -26.36 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.928 179.937 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 10.7 p . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.996 -179.829 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' C' C ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.203 0 CA-C-O 120.343 0.116 . . . . 0.0 110.726 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 8' ' ' LYS . . . . . 0.4 ' HG2' ' CG2' ' C' ' 53' ' ' ILE . 1.7 mmmm -69.13 -35.8 76.79 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 179.263 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -77.12 -30.67 55.32 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.518 178.428 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -79.49 -29.71 41.75 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.73 178.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 11' ' ' THR . . . . . 0.671 HG23 ' CD2' ' C' ' 44' ' ' PHE . 55.5 m -73.18 -50.43 22.59 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.126 179.382 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 12' ' ' GLN . . . . . 0.473 ' O ' ' HB2' ' C' ' 16' ' ' HIS . 0.6 OUTLIER -65.28 -35.72 81.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.109 179.375 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.55 -24.72 60.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.114 179.098 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 14' ' ' ALA . . . . . 0.732 ' CB ' HG11 ' D' ' 116' ' ' VAL . . . -78.57 -55.07 5.48 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 178.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 15' ' ' LEU . . . . . 0.744 ' O ' HD12 ' C' ' 41' ' ' ILE . 0.4 OUTLIER -61.01 -26.71 67.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.229 179.426 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' C' C ' 16' ' ' HIS . . . . . 0.473 ' HB2' ' O ' ' C' ' 12' ' ' GLN . 17.8 t-80 -73.86 -50.45 20.24 Favored 'General case' 0 CA--C 1.519 -0.23 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 178.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . 0.853 HD22 ' CZ ' ' C' ' 21' ' ' TYR . 1.0 OUTLIER -56.15 -39.25 72.02 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.345 178.693 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . 0.831 HD11 ' HZ ' ' D' ' 117' ' ' PHE . 50.3 mt -62.77 -44.52 95.96 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.641 -1.163 . . . . 0.0 110.822 179.587 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 19' ' ' GLU . . . . . 0.419 ' CG ' HG21 ' C' ' 41' ' ' ILE . 3.9 mt-10 -59.15 -34.93 72.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.982 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 20' ' ' GLU . . . . . 0.423 ' O ' ' HG3' ' C' ' 24' ' ' LYS . 1.0 OUTLIER -75.5 -39.99 57.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.973 0.416 . . . . 0.0 110.504 179.866 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' C' C ' 21' ' ' TYR . . . . . 0.853 ' CZ ' HD22 ' C' ' 17' ' ' LEU . 21.9 m-85 -66.65 -47.43 72.56 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.631 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 22' ' ' ARG . . . . . 0.529 ' HG3' ' N ' ' C' ' 23' ' ' SER . 0.0 OUTLIER -57.8 -48.26 80.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.783 179.808 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' C' C ' 23' ' ' SER . . . . . 0.529 ' N ' ' HG3' ' C' ' 22' ' ' ARG . 1.3 p -56.5 -37.2 70.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.033 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 24' ' ' LYS . . . . . 0.454 ' NZ ' ' HB ' ' D' ' 103' ' ' THR . 0.0 OUTLIER -101.52 8.73 41.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.448 179.886 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' C' C ' 25' ' ' LEU . . . . . 0.878 HD12 HD11 ' C' ' 37' ' ' ILE . 0.2 OUTLIER -93.38 -62.56 1.35 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.041 0.448 . . . . 0.0 111.483 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . 0.686 ' HB2' ' HA ' ' C' ' 31' ' ' ARG . 27.7 p -58.45 -18.36 28.04 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.706 -0.679 . . . . 0.0 112.301 -178.586 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 27' ' ' GLN . . . . . 0.424 ' O ' ' HB ' ' C' ' 28' ' ' THR . 1.1 mm100 -76.4 51.34 0.71 Allowed 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.465 -179.272 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 28' ' ' THR . . . . . 0.484 HG23 ' N ' ' C' ' 29' ' ' GLU . 3.1 t -176.15 -55.74 0.01 OUTLIER 'General case' 0 C--N 1.334 -0.09 0 CA-C-O 120.683 0.278 . . . . 0.0 111.724 179.299 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 29' ' ' GLU . . . . . 0.484 ' N ' HG23 ' C' ' 28' ' ' THR . 17.5 pt-20 -178.01 26.33 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.752 -179.554 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 30' ' ' ASP . . . . . 0.465 ' HB2' HD22 ' C' ' 25' ' ' LEU . 5.3 m-20 -131.81 50.16 2.26 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.891 -179.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . 0.686 ' HA ' ' HB2' ' C' ' 26' ' ' SER . 22.3 mmm180 -66.92 -51.33 56.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.487 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 8.0 tp60 -59.12 -45.35 91.13 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.229 0.538 . . . . 0.0 109.774 178.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 33' ' ' LEU . . . . . 0.738 HD21 ' HB3' ' D' ' 95' ' ' SER . 7.2 tp -55.56 -37.34 67.88 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.352 179.022 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 34' ' ' ARG . . . . . 0.663 ' HB2' ' HB3' ' C' ' 26' ' ' SER . 6.7 ttt180 -60.13 -42.28 94.47 Favored 'General case' 0 CA--C 1.516 -0.346 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 178.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 10.8 t -55.72 -39.92 71.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.969 178.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 36' ' ' SER . . . . . 0.423 ' O ' ' HB2' ' C' ' 39' ' ' ARG . 2.2 m -65.55 -51.52 59.26 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.244 179.13 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 37' ' ' ILE . . . . . 0.878 HD11 HD12 ' C' ' 25' ' ' LEU . 40.6 mt -57.13 -36.39 51.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 178.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -62.36 -40.74 97.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.143 179.314 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 39' ' ' ARG . . . . . 0.651 ' HB3' ' HB1' ' D' ' 88' ' ' ALA . 17.6 mtt180 -55.51 -50.49 69.82 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.426 179.075 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . 0.551 ' O ' ' HB2' ' C' ' 44' ' ' PHE . 19.7 t -61.06 -30.73 48.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.87 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 41' ' ' ILE . . . . . 0.744 HD12 ' O ' ' C' ' 15' ' ' LEU . 12.5 mm -69.14 -51.76 40.33 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 N-CA-C 111.827 0.306 . . . . 0.0 111.827 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 11.4 t -65.38 -48.97 71.05 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-O 120.927 0.394 . . . . 0.0 111.199 -178.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 43' ' ' ILE . . . . . 0.639 HG23 ' CD2' ' D' ' 129' ' ' TYR . 9.2 mt -59.47 -34.37 54.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.543 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.54 179.759 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 44' ' ' PHE . . . . . 0.691 ' HB3' HD22 ' C' ' 15' ' ' LEU . 3.0 m-85 -71.9 -54.05 11.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.086 -0.506 . . . . 0.0 112.26 -179.694 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 45' ' ' GLN . . . . . 0.469 ' HG2' ' O ' ' C' ' 41' ' ' ILE . 3.7 pt20 -79.5 -0.96 35.4 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -178.427 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.41 141.78 18.96 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.839 0.352 . . . . 0.0 110.853 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -60.59 -39.69 89.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.532 -179.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . 0.868 ' O ' HD12 ' C' ' 48' ' ' LEU . 1.2 tp -77.75 -43.04 32.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.17 -179.684 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 49' ' ' PHE . . . . . 0.776 ' CE2' HD11 ' C' ' 53' ' ' ILE . 82.8 t80 -50.92 -54.26 25.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.08 -179.417 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 41.5 mm-40 -55.51 -35.81 66.02 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.875 0.369 . . . . 0.0 110.446 179.424 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 51' ' ' ALA . . . . . 0.49 ' CB ' HG23 ' B' ' 132' ' ' ILE . . . -58.91 -48.6 80.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.471 179.436 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 52' ' ' LEU . . . . . 0.462 HD21 ' HB3' ' D' ' 128' ' ' LEU . 5.9 mt -57.61 -43.3 84.64 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.077 179.192 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 53' ' ' ILE . . . . . 0.776 HD11 ' CE2' ' C' ' 49' ' ' PHE . 37.0 mt -56.08 -36.03 43.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.164 179.18 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.07 -28.76 62.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.545 179.328 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 55' ' ' ILE . . . . . 0.615 HG22 ' HB2' ' C' ' 59' ' ' TYR . 70.2 mt -74.82 -45.15 44.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.158 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 56' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -49.71 -22.48 1.39 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.887 -179.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 57' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -43.21 -46.6 6.14 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.742 0.306 . . . . 0.0 111.481 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 58' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -145.33 33.09 1.08 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.017 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 59' ' ' TYR . . . . . 0.863 ' CD2' HD21 ' B' ' 128' ' ' LEU . 52.6 m-85 -133.99 69.74 1.46 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.512 179.623 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -60.4 96.18 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 61' ' ' VAL . . . . . 0.611 HG13 HG12 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -72.98 96.97 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.555 179.897 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' C' C ' 62' ' ' THR . . . . . 0.456 ' HB ' ' HB2' ' A' ' 60' ' ' GLU . 11.8 m -74.07 119.98 19.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.895 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 63' ' ' LEU . . . . . 0.858 HD11 ' CE2' ' A' ' 59' ' ' TYR . 1.1 mp -89.8 127.2 35.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.668 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 64' ' ' LEU . . . . . 0.621 HD23 ' N ' ' C' ' 64' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.331 -0.22 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 82' ' ' LEU . . . . . 0.82 ' N ' HD23 ' D' ' 82' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 121.366 0.603 . . . . 0.0 109.411 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 83' ' ' LEU . . . . . 0.868 HD23 ' H ' ' D' ' 84' ' ' ALA . 0.4 OUTLIER -55.8 -42.4 75.58 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.251 -179.85 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' D' D ' 84' ' ' ALA . . . . . 0.893 ' HB1' ' HB2' ' D' ' 88' ' ' ALA . . . -113.6 1.57 15.0 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.675 -0.693 . . . . 0.0 112.405 -177.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 85' ' ' ALA . . . . . 0.79 ' O ' HD13 ' D' ' 126' ' ' LEU . . . -53.08 -25.92 14.46 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 108.145 -1.058 . . . . 0.0 108.145 177.391 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 86' ' ' GLU . . . . . 0.446 ' HG3' ' CE1' ' D' ' 123' ' ' HIS . 0.6 OUTLIER -120.25 -31.37 4.4 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 114.642 -1.163 . . . . 0.0 109.533 178.126 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' D' D ' 87' ' ' ARG . . . . . 0.882 ' HB2' ' HA ' ' D' ' 84' ' ' ALA . 0.9 OUTLIER -66.83 -53.95 27.41 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 121.162 0.506 . . . . 0.0 109.947 179.04 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' D' D ' 88' ' ' ALA . . . . . 0.893 ' HB2' ' HB1' ' D' ' 84' ' ' ALA . . . -56.3 -41.63 76.25 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.497 179.729 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 89' ' ' VAL . . . . . 0.867 HG13 ' CD1' ' D' ' 117' ' ' PHE . 98.7 t -68.37 -50.37 57.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.804 178.694 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 5.5 t -62.7 -24.85 67.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.537 179.303 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 91' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -67.54 -51.02 55.8 Favored 'General case' 0 CA--C 1.516 -0.354 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 179.382 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 92' ' ' VAL . . . . . 0.798 HG11 ' CD2' ' C' ' 18' ' ' LEU . 11.9 t -74.35 -28.49 22.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.894 178.791 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 93' ' ' LEU . . . . . 0.888 HD21 ' HA ' ' D' ' 114' ' ' HIS . 1.4 mt -69.16 -27.07 65.2 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.835 179.249 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.31 -43.42 10.95 Favored 'General case' 0 C--N 1.334 -0.093 0 CA-C-O 120.925 0.393 . . . . 0.0 111.175 -179.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 95' ' ' SER . . . . . 0.738 ' HB3' HD21 ' C' ' 33' ' ' LEU . 0.5 OUTLIER -79.69 -16.93 54.79 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.993 -179.494 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' D' D ' 96' ' ' LEU . . . . . 0.649 HD22 HD22 ' D' ' 110' ' ' LEU . 0.1 OUTLIER -41.22 -50.49 3.6 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.022 0.439 . . . . 0.0 111.853 -179.526 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' D' D ' 97' ' ' GLU . . . . . 0.422 ' HA ' HD13 ' D' ' 110' ' ' LEU . 51.5 mt-10 -68.94 -28.71 66.9 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.058 -179.623 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 98' ' ' GLU . . . . . 0.795 ' O ' ' HB3' ' D' ' 101' ' ' ALA . 0.2 OUTLIER -70.49 -34.61 72.55 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 178.119 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' D' D ' 99' ' ' ILE . . . . . 0.83 HG12 HD11 ' C' ' 25' ' ' LEU . 73.0 mt -60.08 -49.57 83.54 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.681 0 CA-C-N 114.591 -1.186 . . . . 0.0 109.449 178.146 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 100' ' ' HIS . . . . . 0.885 ' HB2' HD11 ' D' ' 110' ' ' LEU . 1.8 t-160 -56.35 -34.95 67.11 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 178.232 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 101' ' ' ALA . . . . . 0.795 ' HB3' ' O ' ' D' ' 98' ' ' GLU . . . -55.67 -43.92 76.78 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.577 -1.192 . . . . 0.0 111.679 179.366 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 102' ' ' LEU . . . . . 0.676 HD12 HG23 ' D' ' 103' ' ' THR . 0.3 OUTLIER -118.4 24.83 10.69 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -177.529 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' D' D ' 103' ' ' THR . . . . . 0.676 HG23 HD12 ' D' ' 102' ' ' LEU . 37.7 p -141.63 -23.7 0.72 Allowed 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.095 0.405 . . . . 0.0 112.095 179.748 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 1.8 t0 67.46 23.83 8.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.078 0.466 . . . . 0.0 110.557 -179.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 105' ' ' SER . . . . . 0.42 ' HB3' ' CZ ' ' C' ' 21' ' ' TYR . 32.7 m -62.3 -16.1 51.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.119 179.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 106' ' ' SER . . . . . . . . . . . . . 4.2 t 78.9 124.64 0.04 OUTLIER 'General case' 0 C--O 1.232 0.163 0 CA-C-O 121.017 0.437 . . . . 0.0 111.043 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -54.16 -24.17 17.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.854 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 4.8 mmtt -59.02 -54.56 45.76 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.026 0.441 . . . . 0.0 110.034 179.455 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 109' ' ' ASP . . . . . 0.479 ' O ' HD12 ' D' ' 113' ' ' LEU . 3.3 m-20 -61.5 -40.37 94.35 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.833 179.036 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 110' ' ' LEU . . . . . 0.885 HD11 ' HB2' ' D' ' 100' ' ' HIS . 83.9 mt -61.96 -39.85 93.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.351 179.323 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 111' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -60.06 -43.1 95.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.406 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 112' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -58.72 -47.25 85.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.174 179.563 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 113' ' ' LEU . . . . . 0.695 HD23 ' HB1' ' C' ' 14' ' ' ALA . 0.5 OUTLIER -70.22 -33.01 71.15 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.425 179.861 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' D' D ' 114' ' ' HIS . . . . . 0.888 ' HA ' HD21 ' D' ' 93' ' ' LEU . 0.1 OUTLIER -57.57 -33.96 68.7 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 178.189 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' D' D ' 115' ' ' SER . . . . . 0.429 ' HA ' ' HB2' ' D' ' 118' ' ' GLN . 14.8 m -74.94 -38.88 61.64 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.013 178.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 116' ' ' VAL . . . . . 0.847 ' O ' HD22 ' D' ' 122' ' ' LEU . 54.0 t -57.26 -23.55 19.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.311 -0.859 . . . . 0.0 109.702 178.289 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 117' ' ' PHE . . . . . 0.867 ' CD1' HG13 ' D' ' 89' ' ' VAL . 25.8 m-85 -103.45 -37.58 7.53 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.585 -179.626 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 118' ' ' GLN . . . . . 0.467 ' NE2' ' O ' ' D' ' 114' ' ' HIS . 0.6 OUTLIER -55.23 -32.91 62.67 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.49 -178.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -46.09 138.96 4.83 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.636 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 120' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -80.88 -45.67 16.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.769 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 121' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -55.78 -33.95 64.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.553 179.628 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 122' ' ' LEU . . . . . 0.847 HD22 ' O ' ' D' ' 116' ' ' VAL . 53.9 tp -55.58 -49.57 72.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.307 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 123' ' ' HIS . . . . . 0.909 ' HA ' HD12 ' D' ' 126' ' ' LEU . 93.4 m-70 -50.83 -27.47 7.43 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.192 0.52 . . . . 0.0 110.034 178.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 124' ' ' THR . . . . . 0.569 HG21 ' CG2' ' C' ' 61' ' ' VAL . 2.0 m -76.56 -35.86 57.95 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.848 179.174 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 125' ' ' LEU . . . . . 0.718 HD13 HG12 ' C' ' 53' ' ' ILE . 11.9 mt -67.21 -37.63 83.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.496 179.441 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 126' ' ' LEU . . . . . 0.909 HD12 ' HA ' ' D' ' 123' ' ' HIS . 0.9 OUTLIER -68.93 -49.33 59.01 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.669 179.784 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' D' D ' 127' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.79 -53.28 59.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.285 -179.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 128' ' ' LEU . . . . . 0.796 HD21 ' CD2' ' A' ' 59' ' ' TYR . 52.5 mt -62.53 -36.98 84.32 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.18 -179.669 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 129' ' ' TYR . . . . . 0.639 ' CD2' HG23 ' C' ' 43' ' ' ILE . 0.3 OUTLIER -55.8 -52.25 64.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.887 0.375 . . . . 0.0 110.96 -179.344 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' D' D ' 130' ' ' ASP . . . . . 0.453 ' HB3' ' CD2' ' D' ' 82' ' ' LEU . 7.8 t70 -76.19 -28.97 57.48 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.078 179.785 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.86 -54.01 47.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.847 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 132' ' ' ILE . . . . . 0.745 HD12 ' O ' ' D' ' 128' ' ' LEU . 1.6 mt -75.46 -38.15 39.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.757 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 133' ' ' ASN . . . . . 0.487 ' HB2' HD23 ' C' ' 48' ' ' LEU . 27.8 t-20 . . . . . 0 C--N 1.327 -0.392 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.215 -179.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.6 ttm180 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.73 -38.33 88.86 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-O 121.255 0.55 . . . . 0.0 109.525 179.006 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 50.1 mm-40 -74.99 -30.61 61.21 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.806 178.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -78.91 -29.59 44.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.919 179.19 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.578 HG23 ' CD2' ' A' ' 44' ' ' PHE . 58.6 m -70.08 -45.7 66.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.359 179.62 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -69.61 -38.49 77.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.291 -0.413 . . . . 0.0 109.988 179.329 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 44.4 ttt180 -71.96 -24.37 61.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.038 179.022 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.786 ' CB ' HG11 ' B' ' 116' ' ' VAL . . . -78.46 -54.8 5.77 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 121.229 0.538 . . . . 0.0 109.569 179.119 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.834 ' HA ' HD12 ' A' ' 18' ' ' LEU . 0.4 OUTLIER -63.11 -25.03 68.17 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.738 179.272 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -72.97 -46.46 52.18 Favored 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 178.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.898 HD22 ' CE1' ' A' ' 21' ' ' TYR . 2.2 mt -62.06 -35.5 78.83 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.562 -0.744 . . . . 0.0 109.258 178.43 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.896 ' CD2' HG11 ' B' ' 92' ' ' VAL . 52.7 mt -61.54 -44.43 97.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.572 179.516 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -63.08 -37.48 87.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -73.47 -37.51 65.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.057 179.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.898 ' CE1' HD22 ' A' ' 17' ' ' LEU . 14.8 m-30 -68.18 -45.81 72.43 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.902 179.566 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.634 ' HA ' HD12 ' A' ' 37' ' ' ILE . 0.1 OUTLIER -55.1 -51.11 67.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.809 179.735 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 60.6 p -56.42 -42.79 78.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.873 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.2 ptmt -89.78 3.12 53.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.632 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 1.076 HD12 HD11 ' A' ' 37' ' ' ILE . 0.2 OUTLIER -92.14 -67.3 0.86 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.981 0.42 . . . . 0.0 111.176 -179.799 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.462 ' HB3' ' HB2' ' A' ' 34' ' ' ARG . 2.5 p -59.41 -158.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.208 -179.308 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.429 ' OE1' ' NH1' ' A' ' 31' ' ' ARG . 1.7 mp0 60.04 27.83 17.3 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 120.967 0.413 . . . . 0.0 110.537 -179.785 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.779 HG23 ' H ' ' A' ' 29' ' ' GLU . 3.5 t -150.47 -63.15 0.2 Allowed 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 121.211 0.529 . . . . 0.0 111.222 -179.693 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.779 ' H ' HG23 ' A' ' 28' ' ' THR . 17.2 pt-20 -172.79 27.92 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.323 -179.508 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.414 ' HB3' ' HB3' ' A' ' 33' ' ' LEU . 2.0 m-20 -143.17 52.56 1.36 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.657 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.429 ' NH1' ' OE1' ' A' ' 27' ' ' GLN . 12.5 mmm180 -66.08 -52.52 48.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.181 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -55.79 -47.08 77.72 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.201 0.524 . . . . 0.0 109.693 178.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.874 HD21 ' HB3' ' B' ' 95' ' ' SER . 11.0 tp -55.64 -34.06 64.59 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.798 178.8 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.462 ' HB2' ' HB3' ' A' ' 26' ' ' SER . 7.2 ttp180 -60.62 -42.63 97.23 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.491 178.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.9 t -62.06 -33.79 75.05 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.306 179.049 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.519 ' O ' ' HG2' ' A' ' 39' ' ' ARG . 5.6 p -65.91 -48.68 70.65 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.944 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 1.076 HD11 HD12 ' A' ' 25' ' ' LEU . 32.4 mt -60.51 -39.19 80.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.135 0.493 . . . . 0.0 109.744 179.134 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.401 ' HA ' HG12 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -62.58 -51.78 66.01 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.028 -0.987 . . . . 0.0 111.918 -179.65 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.779 ' HG3' ' HB1' ' B' ' 88' ' ' ALA . 4.5 ptp180 -55.21 -39.3 69.48 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.15 -179.61 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.433 ' O ' ' HB2' ' A' ' 44' ' ' PHE . 92.3 t -63.59 -38.01 81.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.863 178.386 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.62 HD11 ' HB3' ' A' ' 18' ' ' LEU . 9.4 mm -57.6 -56.4 15.59 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.156 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.087 179.484 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.8 p -59.71 -47.2 86.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.848 0.356 . . . . 0.0 110.555 -179.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.738 HG23 ' CE2' ' B' ' 129' ' ' TYR . 14.7 mt -59.89 -34.89 57.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.971 179.347 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.716 ' HB3' HD22 ' A' ' 15' ' ' LEU . 1.4 m-85 -72.56 -56.66 5.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.775 179.665 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.405 ' NE2' HG22 ' A' ' 41' ' ' ILE . 3.3 pt20 -81.88 2.83 28.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.023 -0.535 . . . . 0.0 112.129 -178.619 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.6 p -50.12 175.57 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.844 0.354 . . . . 0.0 111.118 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -88.18 -38.38 15.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.213 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.826 ' O ' HD12 ' A' ' 48' ' ' LEU . 1.8 tp -79.72 -43.08 23.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.546 -179.619 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.59 ' HZ ' HD11 ' B' ' 122' ' ' LEU . 42.7 t80 -50.58 -56.35 12.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.103 -179.372 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -58.54 -31.84 68.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.953 0.406 . . . . 0.0 110.035 179.306 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.561 ' HB3' ' O ' ' A' ' 48' ' ' LEU . . . -60.06 -47.92 83.87 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.379 179.306 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.613 HD13 ' O ' ' B' ' 125' ' ' LEU . 1.6 mt -60.14 -44.37 94.99 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.404 179.481 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.677 HG12 HD13 ' B' ' 125' ' ' LEU . 11.9 mt -55.03 -37.38 42.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.487 179.389 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -73.2 -38.31 66.15 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.085 178.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.724 HG22 ' HB2' ' A' ' 59' ' ' TYR . 70.0 mt -60.86 -44.35 97.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.49 179.381 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -52.27 -24.84 8.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.486 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -49.3 -28.22 4.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.687 0.279 . . . . 0.0 111.118 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -153.62 24.17 0.52 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.316 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.933 ' CD2' HD21 ' D' ' 128' ' ' LEU . 49.6 m-85 -135.91 80.62 1.84 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.5 179.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -66.98 95.04 0.36 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.57 HG13 ' CG1' ' C' ' 61' ' ' VAL . 0.0 OUTLIER -72.66 96.9 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-O 120.934 0.397 . . . . 0.0 110.737 179.794 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.442 ' O ' HD23 ' A' ' 64' ' ' LEU . 3.1 m -82.68 104.43 12.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.613 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.473 HD12 HG23 ' B' ' 124' ' ' THR . 0.3 OUTLIER -82.1 130.47 35.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.961 0.41 . . . . 0.0 110.649 179.681 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.725 ' N ' HD23 ' A' ' 64' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.033 -179.526 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . 0.736 HD23 ' O ' ' B' ' 82' ' ' LEU . 9.6 tt . . . . . 0 N--CA 1.446 -0.648 0 CA-C-O 121.145 0.498 . . . . 0.0 110.249 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . 0.938 HD23 ' H ' ' B' ' 84' ' ' ALA . 0.6 OUTLIER -71.05 -40.22 71.79 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.369 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 1.085 ' HB1' ' HB2' ' B' ' 88' ' ' ALA . . . -82.35 -17.31 46.1 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.834 -179.032 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 85' ' ' ALA . . . . . 0.825 ' HB1' ' HB3' ' B' ' 126' ' ' LEU . . . -52.06 -23.03 4.64 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.227 -0.589 . . . . 0.0 109.728 179.152 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -127.06 -40.02 1.89 Allowed 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.793 178.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 87' ' ' ARG . . . . . 0.653 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 33.8 ttt85 -65.59 -40.49 92.74 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.733 179.471 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . 1.085 ' HB2' ' HB1' ' B' ' 84' ' ' ALA . . . -68.53 -42.9 77.82 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.0 -179.578 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 89' ' ' VAL . . . . . 0.763 HG13 ' CD1' ' B' ' 117' ' ' PHE . 61.0 t -69.66 -36.0 68.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.374 179.31 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 2.4 t -74.31 -26.75 60.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.673 179.53 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 91' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -67.4 -57.08 7.23 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-O 121.329 0.585 . . . . 0.0 109.742 179.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 92' ' ' VAL . . . . . 0.896 HG11 ' CD2' ' A' ' 18' ' ' LEU . 6.2 t -65.37 -27.65 42.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.276 -0.874 . . . . 0.0 109.96 179.069 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 93' ' ' LEU . . . . . 0.766 HD21 ' HA ' ' B' ' 114' ' ' HIS . 2.7 mt -66.26 -36.52 83.21 Favored 'General case' 0 C--O 1.231 0.09 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.555 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.52 -39.25 20.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.975 0.417 . . . . 0.0 111.039 -179.51 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 95' ' ' SER . . . . . 0.874 ' HB3' HD21 ' A' ' 33' ' ' LEU . 5.5 m -80.22 -17.89 51.04 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.133 -179.256 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . 0.515 HD13 ' HB3' ' B' ' 110' ' ' LEU . 0.1 OUTLIER -38.53 -52.41 1.6 Allowed 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -179.077 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -71.21 -28.23 64.06 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.037 -179.365 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . 0.821 ' O ' ' HB3' ' B' ' 101' ' ' ALA . 0.1 OUTLIER -69.6 -33.56 72.87 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 177.764 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 99' ' ' ILE . . . . . 0.623 HG23 HG21 ' B' ' 103' ' ' THR . 58.1 mt -63.36 -49.58 82.28 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.862 0 CA-C-N 114.51 -1.223 . . . . 0.0 109.689 178.508 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 100' ' ' HIS . . . . . 0.961 ' HB2' HD11 ' B' ' 110' ' ' LEU . 1.8 t-160 -56.48 -32.88 65.42 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 178.116 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 101' ' ' ALA . . . . . 0.821 ' HB3' ' O ' ' B' ' 98' ' ' GLU . . . -57.39 -46.07 83.84 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 114.54 -1.209 . . . . 0.0 111.986 179.38 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 102' ' ' LEU . . . . . 0.673 HD12 HG23 ' B' ' 103' ' ' THR . 0.4 OUTLIER -116.63 26.66 9.7 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.736 -177.48 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 103' ' ' THR . . . . . 0.673 HG23 HD12 ' B' ' 102' ' ' LEU . 31.9 p -140.67 -31.93 0.6 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.663 0.268 . . . . 0.0 111.484 179.604 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 1.1 t70 68.45 27.25 6.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.963 0.411 . . . . 0.0 110.55 -179.586 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 105' ' ' SER . . . . . 0.414 ' HB3' ' CE1' ' A' ' 21' ' ' TYR . 10.9 m -53.8 -77.75 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.654 179.813 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 167.55 105.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.429 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -47.97 -35.17 10.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.869 0.366 . . . . 0.0 110.638 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.8 -43.15 89.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.631 178.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 109' ' ' ASP . . . . . 0.658 ' O ' HD12 ' B' ' 113' ' ' LEU . 0.9 OUTLIER -63.94 -39.74 94.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.767 179.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 110' ' ' LEU . . . . . 0.961 HD11 ' HB2' ' B' ' 100' ' ' HIS . 50.8 mt -61.46 -35.01 76.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.816 179.048 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 111' ' ' ASP . . . . . 0.45 ' HA ' ' ND1' ' B' ' 114' ' ' HIS . 5.0 m-20 -64.01 -48.67 75.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.737 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 112' ' ' PHE . . . . . 0.582 ' O ' HG23 ' B' ' 116' ' ' VAL . 1.3 t80 -58.86 -37.79 77.3 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.865 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 113' ' ' LEU . . . . . 0.713 HD11 ' CD1' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -75.96 -36.74 59.18 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.033 -179.865 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 114' ' ' HIS . . . . . 0.766 ' HA ' HD21 ' B' ' 93' ' ' LEU . 0.0 OUTLIER -59.05 -33.35 70.66 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 178.939 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . 0.46 ' N ' ' CD2' ' B' ' 114' ' ' HIS . 39.2 t -75.81 -36.76 59.61 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 178.283 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 116' ' ' VAL . . . . . 0.859 ' O ' HD22 ' B' ' 122' ' ' LEU . 28.1 t -61.34 -23.33 30.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.726 178.297 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 117' ' ' PHE . . . . . 0.763 ' CD1' HG13 ' B' ' 89' ' ' VAL . 27.8 m-85 -100.49 -37.08 8.97 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.374 -179.642 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.49 -28.06 69.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.682 -179.095 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -41.16 114.72 0.52 Allowed 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.792 -179.325 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.32 -43.01 92.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.495 179.771 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 16.9 m-70 -60.99 -34.15 74.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.448 179.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . 0.859 HD22 ' O ' ' B' ' 116' ' ' VAL . 48.8 tp -56.03 -49.08 74.69 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.498 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 123' ' ' HIS . . . . . 1.021 ' HA ' HD12 ' B' ' 126' ' ' LEU . 97.1 m-70 -53.81 -26.03 22.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.981 179.04 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 124' ' ' THR . . . . . 0.689 HG22 HD11 ' B' ' 128' ' ' LEU . 1.9 m -74.22 -40.21 62.59 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.294 178.755 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . 0.834 HD12 HD12 ' B' ' 122' ' ' LEU . 4.9 mt -67.02 -31.82 72.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.845 178.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . 1.021 HD12 ' HA ' ' B' ' 123' ' ' HIS . 7.1 mt -73.29 -50.87 19.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.393 -179.582 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.87 -51.55 68.8 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.909 0.385 . . . . 0.0 110.942 179.759 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . 0.939 HD21 ' CD2' ' C' ' 59' ' ' TYR . 12.0 mt -60.66 -37.48 81.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.34 179.595 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 129' ' ' TYR . . . . . 0.738 ' CE2' HG23 ' A' ' 43' ' ' ILE . 0.2 OUTLIER -56.95 -44.25 82.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.359 179.567 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 130' ' ' ASP . . . . . 0.586 ' CG ' ' HA ' ' B' ' 82' ' ' LEU . 0.2 OUTLIER -76.07 -39.24 55.85 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.064 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 15.2 mttm -54.98 -53.84 50.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.496 -179.488 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 132' ' ' ILE . . . . . 0.731 HD12 ' O ' ' B' ' 128' ' ' LEU . 2.2 mt -72.26 -38.21 61.21 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 CA-C-O 120.978 0.418 . . . . 0.0 110.67 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 133' ' ' ASN . . . . . 0.452 ' HB2' HD23 ' A' ' 48' ' ' LEU . 60.6 t-20 -60.53 -32.64 71.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.672 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 80.7 m -64.02 -29.67 70.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.914 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.59 -29.78 14.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.019 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.043 179.953 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' C' C ' 7' ' ' ARG . . . . . . . . . . . . . 12.0 ttm-85 . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 1.5 tptp -60.88 -38.17 84.7 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-O 121.149 0.5 . . . . 0.0 109.722 179.101 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 61.4 mm-40 -73.93 -29.19 61.9 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.066 179.094 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 10' ' ' ASP . . . . . 0.593 ' HB3' HG22 ' D' ' 116' ' ' VAL . 93.1 m-20 -78.13 -31.76 50.06 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.371 179.675 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 11' ' ' THR . . . . . 0.427 HG21 ' CD1' ' C' ' 53' ' ' ILE . 16.8 p -71.92 -42.73 66.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.384 179.69 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 12' ' ' GLN . . . . . 0.446 ' HA ' HD23 ' C' ' 15' ' ' LEU . 0.5 OUTLIER -68.95 -40.59 78.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.389 179.561 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 12.2 ttt180 -72.9 -24.36 60.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.183 179.031 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 14' ' ' ALA . . . . . 0.902 ' CB ' HG11 ' D' ' 116' ' ' VAL . . . -78.72 -50.79 10.78 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.877 179.3 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 15' ' ' LEU . . . . . 0.785 ' O ' HD12 ' C' ' 41' ' ' ILE . 0.5 OUTLIER -66.81 -27.24 67.41 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.763 179.623 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' C' C ' 16' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -73.61 -45.86 50.47 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 178.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . 0.824 HD22 ' CE1' ' C' ' 21' ' ' TYR . 1.6 mt -61.62 -42.16 98.49 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.669 178.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . 0.773 ' HB3' HD11 ' C' ' 41' ' ' ILE . 10.7 mt -58.99 -42.91 91.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.393 -0.822 . . . . 0.0 110.629 179.617 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 19' ' ' GLU . . . . . 0.406 ' O ' ' CG ' ' C' ' 22' ' ' ARG . 0.0 OUTLIER -58.05 -45.71 86.56 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.06 0.457 . . . . 0.0 110.508 179.637 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -69.81 -32.98 71.71 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.697 179.086 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 21' ' ' TYR . . . . . 0.824 ' CE1' HD22 ' C' ' 17' ' ' LEU . 9.1 m-30 -65.93 -47.42 74.77 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.915 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 22' ' ' ARG . . . . . 0.514 ' HA ' HD12 ' C' ' 37' ' ' ILE . 9.1 ptt85 -59.95 -43.58 94.93 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.866 0.365 . . . . 0.0 110.758 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 1.7 p -58.09 -39.66 79.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.679 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 24' ' ' LYS . . . . . 0.41 ' HG3' ' HB ' ' D' ' 103' ' ' THR . 5.9 ptmt -94.0 -11.42 30.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.828 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 25' ' ' LEU . . . . . 0.804 HD12 HD11 ' C' ' 37' ' ' ILE . 0.7 OUTLIER -79.32 -68.78 0.63 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.873 0.368 . . . . 0.0 111.152 -179.632 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . 0.468 ' HB2' ' HB2' ' C' ' 34' ' ' ARG . 33.6 t -62.39 -144.46 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.803 -179.396 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 48.35 27.24 1.3 Allowed 'General case' 0 N--CA 1.452 -0.346 0 CA-C-O 120.992 0.425 . . . . 0.0 110.35 -179.429 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 28' ' ' THR . . . . . 0.533 HG23 ' N ' ' C' ' 29' ' ' GLU . 12.9 t -152.18 -53.4 0.12 Allowed 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.856 -179.619 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 29' ' ' GLU . . . . . 0.533 ' N ' HG23 ' C' ' 28' ' ' THR . 9.7 pt-20 -177.47 26.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.779 -179.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 30' ' ' ASP . . . . . 0.518 ' CB ' HD22 ' C' ' 25' ' ' LEU . 0.9 OUTLIER -141.71 55.07 1.5 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.992 0.425 . . . . 0.0 110.914 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 2.0 mmm180 -65.02 -50.81 64.8 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.096 179.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.88 -50.56 73.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.083 179.156 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 33' ' ' LEU . . . . . 0.81 HD21 ' HB3' ' D' ' 95' ' ' SER . 4.9 tp -52.72 -33.32 47.43 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.092 179.058 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 34' ' ' ARG . . . . . 0.468 ' HB2' ' HB2' ' C' ' 26' ' ' SER . 6.8 ttp180 -60.62 -49.76 76.24 Favored 'General case' 0 CA--C 1.517 -0.311 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 178.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 4.9 m -55.7 -32.68 63.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.173 179.026 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 36' ' ' SER . . . . . 0.484 ' O ' ' CG ' ' C' ' 39' ' ' ARG . 1.4 m -66.69 -48.29 69.77 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.528 179.458 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 37' ' ' ILE . . . . . 0.804 HD11 HD12 ' C' ' 25' ' ' LEU . 54.0 mt -58.21 -40.04 75.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 179.208 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -58.81 -52.61 64.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.611 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 39' ' ' ARG . . . . . 0.764 ' HG3' ' HB1' ' D' ' 88' ' ' ALA . 1.9 ptp180 -55.68 -35.75 66.37 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.053 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . 0.546 HG12 ' CD2' ' C' ' 44' ' ' PHE . 89.8 t -68.82 -33.0 57.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.883 178.655 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 41' ' ' ILE . . . . . 0.785 HD12 ' O ' ' C' ' 15' ' ' LEU . 9.7 mm -69.67 -58.26 6.05 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.136 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 179.449 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 18.9 p -56.57 -47.56 79.27 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-O 121.07 0.462 . . . . 0.0 110.377 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 43' ' ' ILE . . . . . 0.725 HG23 ' CE2' ' D' ' 129' ' ' TYR . 16.8 mt -60.05 -32.23 49.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.948 179.086 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 44' ' ' PHE . . . . . 0.754 ' HB3' HD22 ' C' ' 15' ' ' LEU . 0.3 OUTLIER -72.59 -57.29 4.26 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.77 179.704 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' C' C ' 45' ' ' GLN . . . . . 0.447 ' HG2' ' O ' ' C' ' 41' ' ' ILE . 4.8 pt20 -74.4 -3.28 29.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 112.116 -178.725 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 46' ' ' SER . . . . . 0.4 ' OG ' ' CE1' ' D' ' 129' ' ' TYR . 6.3 t -54.71 126.47 24.12 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.799 0.333 . . . . 0.0 110.678 179.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -53.87 -24.73 16.9 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.601 -179.553 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . 0.636 HD13 ' O ' ' C' ' 48' ' ' LEU . 0.3 OUTLIER -76.14 -49.21 17.96 Favored 'General case' 0 CA--C 1.519 -0.225 0 N-CA-C 109.252 -0.648 . . . . 0.0 109.252 179.173 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' C' C ' 49' ' ' PHE . . . . . 0.957 ' CE2' HD11 ' C' ' 53' ' ' ILE . 85.6 t80 -52.71 -41.78 64.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.37 179.45 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 50' ' ' GLN . . . . . 0.469 ' OE1' ' CA ' ' C' ' 50' ' ' GLN . 0.0 OUTLIER -59.68 -44.91 93.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.462 179.352 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' C' C ' 51' ' ' ALA . . . . . 0.561 ' HB1' ' HA ' ' B' ' 132' ' ' ILE . . . -59.18 -48.03 83.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.945 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 52' ' ' LEU . . . . . 0.687 HD13 ' O ' ' D' ' 125' ' ' LEU . 2.1 mt -59.12 -45.88 89.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.903 0.383 . . . . 0.0 110.53 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 53' ' ' ILE . . . . . 0.957 HD11 ' CE2' ' C' ' 49' ' ' PHE . 50.2 mt -53.61 -42.39 50.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.517 179.624 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -63.27 -39.13 93.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.385 179.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 55' ' ' ILE . . . . . 0.745 HG22 ' HB2' ' C' ' 59' ' ' TYR . 67.8 mt -60.37 -34.17 56.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.681 179.761 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 56' ' ' GLN . . . . . 0.454 ' NE2' HD21 ' D' ' 125' ' ' LEU . 0.0 OUTLIER -53.19 -21.76 5.63 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.764 -179.81 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' C' C ' 57' ' ' GLU . . . . . 0.405 ' O ' ' CD1' ' C' ' 58' ' ' PHE . 41.5 mt-10 -45.08 -43.03 9.22 Favored 'General case' 0 N--CA 1.462 0.159 0 N-CA-C 111.692 0.256 . . . . 0.0 111.692 -179.666 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 58' ' ' PHE . . . . . 0.405 ' CD1' ' O ' ' C' ' 57' ' ' GLU . 83.1 m-85 -155.69 38.73 0.38 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.822 0.304 . . . . 0.0 111.822 -179.59 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 59' ' ' TYR . . . . . 0.939 ' CD2' HD21 ' B' ' 128' ' ' LEU . 59.7 m-85 -136.07 79.7 1.78 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.874 179.609 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.16 87.9 0.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.948 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 61' ' ' VAL . . . . . 0.64 HG23 HG21 ' D' ' 124' ' ' THR . 0.0 OUTLIER -73.26 98.77 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 120.924 0.393 . . . . 0.0 111.126 179.858 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' C' C ' 62' ' ' THR . . . . . . . . . . . . . 3.7 m -80.97 122.36 27.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.527 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 63' ' ' LEU . . . . . 0.481 HD11 ' OH ' ' A' ' 59' ' ' TYR . 0.1 OUTLIER -93.01 130.03 38.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.895 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' C' C ' 64' ' ' LEU . . . . . 0.703 HD23 ' N ' ' C' ' 64' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.433 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.086 -179.604 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 82' ' ' LEU . . . . . 0.668 HD12 ' HB3' ' D' ' 130' ' ' ASP . 9.3 tt . . . . . 0 N--CA 1.45 -0.467 0 CA-C-O 121.199 0.523 . . . . 0.0 109.878 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 83' ' ' LEU . . . . . 0.958 HD23 ' H ' ' D' ' 84' ' ' ALA . 0.7 OUTLIER -66.51 -40.18 89.07 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.604 179.911 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' D' D ' 84' ' ' ALA . . . . . 1.108 ' HB1' ' HB2' ' D' ' 88' ' ' ALA . . . -80.27 -17.84 51.05 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.617 -178.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 85' ' ' ALA . . . . . 0.857 ' HB1' ' HB3' ' D' ' 126' ' ' LEU . . . -51.68 -25.68 7.73 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 179.085 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 86' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -124.84 -37.81 2.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.023 178.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 87' ' ' ARG . . . . . 0.632 ' HB3' ' O ' ' D' ' 83' ' ' LEU . 33.0 ttt180 -68.37 -37.73 80.72 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.969 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 88' ' ' ALA . . . . . 1.108 ' HB2' ' HB1' ' D' ' 84' ' ' ALA . . . -72.15 -39.96 68.38 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.245 -179.296 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 89' ' ' VAL . . . . . 0.821 HG12 ' HB3' ' D' ' 117' ' ' PHE . 21.5 t -76.97 -35.2 23.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.871 179.586 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 8.3 t -74.96 -43.26 55.1 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.169 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 91' ' ' GLN . . . . . 0.412 ' CG ' ' N ' ' D' ' 92' ' ' VAL . 6.9 pt20 -64.56 -49.97 69.12 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.056 0.455 . . . . 0.0 109.782 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 92' ' ' VAL . . . . . 0.554 HG23 ' O ' ' D' ' 88' ' ' ALA . 62.4 t -64.28 -27.67 43.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 177.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 93' ' ' LEU . . . . . 0.72 HD21 ' HA ' ' D' ' 114' ' ' HIS . 1.0 OUTLIER -58.22 -47.45 83.45 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.129 179.141 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.01 -24.41 52.15 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.196 -179.655 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 95' ' ' SER . . . . . 0.81 ' HB3' HD21 ' C' ' 33' ' ' LEU . 4.8 m -79.31 -29.69 42.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.758 -179.483 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 96' ' ' LEU . . . . . 0.924 HD22 HD22 ' D' ' 110' ' ' LEU . 0.2 OUTLIER -37.64 -52.49 1.23 Allowed 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 112.528 0.566 . . . . 0.0 112.528 -179.294 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -66.09 -30.52 71.05 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.959 0.409 . . . . 0.0 111.187 -179.173 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 98' ' ' GLU . . . . . 0.808 ' OE2' HD21 ' D' ' 102' ' ' LEU . 0.0 OUTLIER -70.02 -34.95 73.95 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 177.62 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' D' D ' 99' ' ' ILE . . . . . 0.565 ' O ' HG23 ' D' ' 103' ' ' THR . 6.6 mt -59.32 -49.35 83.81 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.644 0 CA-C-N 114.386 -1.279 . . . . 0.0 110.031 178.433 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 100' ' ' HIS . . . . . 0.841 ' HB2' HD11 ' D' ' 110' ' ' LEU . 2.0 t-160 -58.03 -35.08 70.78 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 178.464 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 101' ' ' ALA . . . . . 0.782 ' HB3' ' O ' ' D' ' 98' ' ' GLU . . . -55.36 -43.25 74.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.676 -1.147 . . . . 0.0 111.874 179.408 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 102' ' ' LEU . . . . . 0.808 HD21 ' OE2' ' D' ' 98' ' ' GLU . 0.4 OUTLIER -119.66 31.67 6.45 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.622 -0.717 . . . . 0.0 112.804 -177.452 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' D' D ' 103' ' ' THR . . . . . 0.674 HG23 HD12 ' D' ' 102' ' ' LEU . 35.4 p -146.89 -34.29 0.27 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.709 0.29 . . . . 0.0 111.572 179.713 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 1.7 t0 70.75 28.01 3.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.892 0.377 . . . . 0.0 110.326 -179.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 105' ' ' SER . . . . . . . . . . . . . 3.7 m -54.32 -77.61 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.773 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 106' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 167.55 105.36 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.487 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -47.31 -32.32 4.62 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.91 0.386 . . . . 0.0 110.596 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -66.93 -44.42 80.72 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 178.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 109' ' ' ASP . . . . . 0.733 ' O ' HD12 ' D' ' 113' ' ' LEU . 55.7 m-20 -66.23 -35.2 79.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.706 178.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 110' ' ' LEU . . . . . 0.924 HD22 HD22 ' D' ' 96' ' ' LEU . 17.1 mt -63.08 -44.53 95.52 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.998 179.268 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 111' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -60.34 -42.1 94.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.608 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 112' ' ' PHE . . . . . 0.754 ' O ' HG23 ' D' ' 116' ' ' VAL . 1.3 t80 -58.83 -43.25 90.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.344 179.45 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 113' ' ' LEU . . . . . 0.733 HD12 ' O ' ' D' ' 109' ' ' ASP . 0.5 OUTLIER -72.82 -32.71 65.7 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.707 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' D' D ' 114' ' ' HIS . . . . . 0.72 ' HA ' HD21 ' D' ' 93' ' ' LEU . 35.1 m170 -60.24 -37.9 81.79 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 178.347 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 115' ' ' SER . . . . . . . . . . . . . 70.1 m -73.37 -37.71 65.95 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 178.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 116' ' ' VAL . . . . . 0.902 HG11 ' CB ' ' C' ' 14' ' ' ALA . 55.1 t -60.05 -23.07 26.04 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 CA-C-N 115.165 -0.925 . . . . 0.0 109.711 178.293 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 117' ' ' PHE . . . . . 0.821 ' HB3' HG12 ' D' ' 89' ' ' VAL . 6.7 m-30 -107.37 -25.18 11.56 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.69 -179.503 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 118' ' ' GLN . . . . . 0.419 ' HB2' ' O ' ' D' ' 114' ' ' HIS . 0.0 OUTLIER -67.43 -37.81 83.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.698 0.285 . . . . 0.0 111.588 -179.029 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -42.71 111.71 0.28 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.749 -179.262 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 120' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -56.51 -40.19 74.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.422 179.702 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 121' ' ' HIS . . . . . . . . . . . . . 20.4 m170 -56.16 -34.01 65.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.195 179.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 122' ' ' LEU . . . . . 0.906 HD12 HD12 ' D' ' 125' ' ' LEU . 36.4 tp -56.03 -48.99 74.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.297 179.667 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 123' ' ' HIS . . . . . 0.99 ' HA ' HD12 ' D' ' 126' ' ' LEU . 40.5 m170 -54.64 -24.42 21.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.092 179.042 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 124' ' ' THR . . . . . 0.64 HG21 HG23 ' C' ' 61' ' ' VAL . 1.7 m -75.52 -39.04 58.92 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 178.775 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 125' ' ' LEU . . . . . 0.906 HD12 HD12 ' D' ' 122' ' ' LEU . 4.7 mt -69.45 -33.63 73.2 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.647 178.668 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 126' ' ' LEU . . . . . 0.99 HD12 ' HA ' ' D' ' 123' ' ' HIS . 3.9 mt -73.6 -49.85 24.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.07 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 127' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -60.79 -43.0 98.67 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.709 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 128' ' ' LEU . . . . . 0.933 HD21 ' CD2' ' A' ' 59' ' ' TYR . 19.1 mt -74.24 -29.7 61.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.204 179.309 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 129' ' ' TYR . . . . . 0.725 ' CE2' HG23 ' C' ' 43' ' ' ILE . 0.3 OUTLIER -56.39 -52.1 65.87 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.861 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' D' D ' 130' ' ' ASP . . . . . 0.668 ' HB3' HD12 ' D' ' 82' ' ' LEU . 0.1 OUTLIER -76.47 -35.48 58.41 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.787 0.327 . . . . 0.0 111.234 179.926 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' D' D ' 131' ' ' LYS . . . . . . . . . . . . . 1.2 mtpp -55.04 -51.0 67.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.099 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 132' ' ' ILE . . . . . 0.421 HD12 ' O ' ' D' ' 128' ' ' LEU . 5.0 mt -74.2 -38.38 48.02 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 CA-C-O 120.995 0.426 . . . . 0.0 110.708 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 133' ' ' ASN . . . . . . . . . . . . . 60.8 t30 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.889 179.872 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.455 -0.201 0 N-CA-C 110.081 -0.341 . . . . 0.0 110.081 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.48 -38.43 89.83 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 121.098 0.475 . . . . 0.0 109.783 179.169 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 58.0 mm-40 -74.77 -29.05 61.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.094 179.057 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.423 ' O ' ' HB2' ' A' ' 14' ' ' ALA . 63.2 m-20 -80.43 -30.34 37.65 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.708 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.7 p -75.47 -36.09 60.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.264 179.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -71.99 -44.9 62.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.096 179.338 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.5 ttt180 -70.13 -24.65 63.22 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.023 178.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.952 ' CB ' HG11 ' B' ' 116' ' ' VAL . . . -78.41 -53.99 6.66 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.857 179.073 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.914 ' HA ' HD12 ' A' ' 18' ' ' LEU . 0.4 OUTLIER -66.09 -25.53 67.06 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.696 179.54 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.416 ' O ' ' HG3' ' A' ' 19' ' ' GLU . 0.7 OUTLIER -73.12 -44.38 60.32 Favored 'General case' 0 CA--C 1.518 -0.261 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 178.878 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.894 HD22 ' CE1' ' A' ' 21' ' ' TYR . 5.4 mt -64.36 -29.01 70.09 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.558 178.423 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.914 HD12 ' HA ' ' A' ' 15' ' ' LEU . 45.0 mt -66.2 -50.3 64.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.909 179.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.462 ' HG3' ' N ' ' A' ' 20' ' ' GLU . 0.3 OUTLIER -61.26 -36.52 80.25 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.707 -179.803 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.462 ' N ' ' HG3' ' A' ' 19' ' ' GLU . 74.2 mm-40 -74.86 -36.1 62.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.872 179.25 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.894 ' CE1' HD22 ' A' ' 17' ' ' LEU . 9.8 m-30 -66.16 -47.14 75.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.365 179.473 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.448 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 2.6 ptm180 -58.77 -43.52 90.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.799 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.431 ' N ' ' HG3' ' A' ' 22' ' ' ARG . 1.5 m -61.74 -35.11 77.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.466 179.604 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.646 ' O ' HG22 ' B' ' 103' ' ' THR . 8.5 ptmt -99.16 5.29 46.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.464 179.718 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.817 HD12 HD11 ' A' ' 37' ' ' ILE . 0.2 OUTLIER -98.53 -65.39 0.96 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.008 0.433 . . . . 0.0 110.676 -179.778 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.473 ' OG ' ' CG ' ' A' ' 34' ' ' ARG . 0.7 OUTLIER -60.6 -145.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.098 -179.479 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 47.3 27.4 0.87 Allowed 'General case' 0 N--CA 1.452 -0.367 0 CA-C-O 120.836 0.35 . . . . 0.0 110.593 -179.608 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.573 HG23 ' N ' ' A' ' 29' ' ' GLU . 14.7 t -150.85 -55.47 0.15 Allowed 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.42 -179.686 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.573 ' N ' HG23 ' A' ' 28' ' ' THR . 14.1 pt-20 -177.31 27.78 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.732 -179.352 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -143.08 48.07 1.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.03 0.443 . . . . 0.0 111.266 -179.742 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.8 -51.0 71.63 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.249 0.547 . . . . 0.0 110.049 179.433 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -56.25 -46.04 79.78 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.896 179.075 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.693 HD21 ' HB2' ' B' ' 95' ' ' SER . 6.2 tp -53.87 -33.79 57.46 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.871 179.081 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.473 ' CG ' ' OG ' ' A' ' 26' ' ' SER . 6.6 ttp180 -61.63 -46.83 88.14 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 178.604 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.554 ' HA ' ' CG ' ' A' ' 38' ' ' GLU . 0.3 OUTLIER -57.39 -30.46 64.92 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.965 179.669 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.649 ' HB3' ' NE2' ' B' ' 91' ' ' GLN . 0.1 OUTLIER -75.89 -46.6 29.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.114 0.483 . . . . 0.0 110.411 179.67 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.817 HD11 HD12 ' A' ' 25' ' ' LEU . 56.1 mt -63.47 -40.55 89.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.908 179.501 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.573 ' HA ' HG12 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -69.8 -38.43 76.62 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.089 -0.505 . . . . 0.0 112.338 -178.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.561 ' HG2' ' O ' ' A' ' 36' ' ' SER . 6.1 ptp180 -62.1 -38.92 90.69 Favored 'General case' 0 CA--C 1.519 -0.241 0 C-N-CA 119.955 -0.698 . . . . 0.0 109.499 179.782 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.554 HG12 ' CD1' ' A' ' 44' ' ' PHE . 94.9 t -60.94 -44.31 97.74 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 177.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.741 HG22 ' NE2' ' A' ' 45' ' ' GLN . 11.3 mm -50.79 -57.52 2.63 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.577 179.527 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.4 t -56.28 -46.12 79.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.944 0.402 . . . . 0.0 110.795 -179.063 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.955 HG23 ' CE2' ' B' ' 129' ' ' TYR . 9.2 mt -59.83 -34.59 56.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.864 179.055 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.892 ' HB3' HD22 ' A' ' 15' ' ' LEU . 2.5 m-85 -72.53 -57.13 4.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.503 179.477 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.741 ' NE2' HG22 ' A' ' 41' ' ' ILE . 32.2 mt-30 -62.7 -26.44 68.67 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.985 -178.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.496 ' CB ' ' CE1' ' B' ' 129' ' ' TYR . 0.2 OUTLIER -37.62 127.41 1.14 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.981 0.419 . . . . 0.0 111.774 -179.331 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -54.4 -24.86 21.53 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.504 -179.709 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.818 HD12 ' HA ' ' B' ' 129' ' ' TYR . 0.4 OUTLIER -79.15 -47.38 16.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.828 0.347 . . . . 0.0 110.243 179.766 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.66 ' CE2' HD11 ' A' ' 53' ' ' ILE . 88.1 t80 -50.44 -51.49 46.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.029 -179.399 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 49.6 mm-40 -59.03 -34.22 71.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.026 0.441 . . . . 0.0 110.398 179.379 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' A' ' 48' ' ' LEU . . . -59.43 -47.28 86.09 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.533 179.55 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.707 HD13 ' O ' ' B' ' 125' ' ' LEU . 0.3 OUTLIER -60.35 -44.6 95.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.242 179.489 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.66 HD11 ' CE2' ' A' ' 49' ' ' PHE . 10.8 mt -54.7 -37.37 39.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.46 179.432 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -67.52 -39.27 85.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.259 179.34 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.828 HG22 ' HB2' ' A' ' 59' ' ' TYR . 66.6 mt -62.82 -35.08 69.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.726 179.602 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.476 ' HG3' HD21 ' B' ' 125' ' ' LEU . 0.9 OUTLIER -54.66 -21.06 9.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.765 -179.721 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.429 ' O ' ' CD1' ' A' ' 58' ' ' PHE . 37.2 mt-10 -46.97 -36.83 8.17 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 120.572 0.225 . . . . 0.0 111.265 -179.784 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.429 ' CD1' ' O ' ' A' ' 57' ' ' GLU . 18.9 m-85 -156.75 35.14 0.3 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.614 -179.786 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.83 ' CD2' HD21 ' D' ' 128' ' ' LEU . 26.7 m-85 -139.86 94.17 2.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.826 179.615 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -84.91 99.01 10.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.784 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.636 HG13 HG12 ' C' ' 61' ' ' VAL . 0.0 OUTLIER -77.55 98.72 2.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.132 179.94 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 28.8 m -75.28 128.63 35.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.368 179.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.856 HD11 ' CE2' ' C' ' 59' ' ' TYR . 0.9 OUTLIER -97.21 120.53 37.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.974 -179.867 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.682 ' N ' HD23 ' A' ' 64' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.857 179.691 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . 0.873 ' N ' HD23 ' B' ' 82' ' ' LEU . 0.3 OUTLIER . . . . . 0 CA--C 1.52 -0.188 0 CA-C-O 121.099 0.476 . . . . 0.0 110.468 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . 1.084 HD23 ' H ' ' B' ' 84' ' ' ALA . 0.0 OUTLIER -63.51 -55.13 26.46 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.14 -179.316 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 1.084 ' H ' HD23 ' B' ' 83' ' ' LEU . . . -71.19 -25.0 62.34 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.391 -179.309 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 85' ' ' ALA . . . . . 0.905 ' HB1' ' CB ' ' B' ' 126' ' ' LEU . . . -52.66 -28.04 19.89 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-O 121.113 0.483 . . . . 0.0 110.036 179.624 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -123.03 -44.09 2.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.902 178.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 87' ' ' ARG . . . . . 0.78 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 16.0 ttt180 -57.64 -50.42 73.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.935 178.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . 0.77 ' HB3' ' O ' ' B' ' 84' ' ' ALA . . . -58.04 -48.4 80.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.109 -0.951 . . . . 0.0 111.8 -179.394 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 89' ' ' VAL . . . . . 0.602 HG12 ' HB3' ' B' ' 117' ' ' PHE . 24.8 t -62.19 -30.21 48.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.223 -179.725 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 73.7 m -75.24 -30.46 60.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.287 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 91' ' ' GLN . . . . . 0.649 ' NE2' ' HB3' ' A' ' 36' ' ' SER . 0.8 OUTLIER -68.65 -54.0 19.02 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 179.519 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 92' ' ' VAL . . . . . 0.832 HG11 HD22 ' A' ' 18' ' ' LEU . 3.6 t -64.28 -27.94 43.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.766 178.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 93' ' ' LEU . . . . . 0.72 HD21 ' HA ' ' B' ' 114' ' ' HIS . 1.5 mt -63.63 -42.54 98.16 Favored 'General case' 0 N--CA 1.457 -0.084 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.48 179.688 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.37 -27.96 31.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.387 -179.409 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 95' ' ' SER . . . . . 0.693 ' HB2' HD21 ' A' ' 33' ' ' LEU . 4.5 p -80.05 -28.54 39.24 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -179.345 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . 0.803 HD22 HD22 ' B' ' 110' ' ' LEU . 0.2 OUTLIER -36.04 -51.12 0.72 Allowed 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 112.455 0.539 . . . . 0.0 112.455 -179.113 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -69.0 -31.65 70.64 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.034 -179.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . 0.812 ' O ' ' HB3' ' B' ' 101' ' ' ALA . 0.2 OUTLIER -68.73 -34.27 75.33 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.045 -1.095 . . . . 0.0 108.045 177.706 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 99' ' ' ILE . . . . . 0.666 HG23 HG21 ' B' ' 103' ' ' THR . 12.8 mt -61.99 -49.5 83.91 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.883 0 CA-C-N 114.352 -1.295 . . . . 0.0 109.984 178.493 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 100' ' ' HIS . . . . . 0.904 ' HB2' HD11 ' B' ' 110' ' ' LEU . 1.6 t-160 -56.37 -34.16 66.4 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 178.187 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 101' ' ' ALA . . . . . 0.812 ' HB3' ' O ' ' B' ' 98' ' ' GLU . . . -56.79 -45.03 82.42 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.416 -1.266 . . . . 0.0 111.786 179.403 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 102' ' ' LEU . . . . . 0.683 HD12 HG23 ' B' ' 103' ' ' THR . 0.4 OUTLIER -118.48 27.08 9.15 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.768 -177.329 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 103' ' ' THR . . . . . 0.683 HG23 HD12 ' B' ' 102' ' ' LEU . 31.8 p -141.57 -33.83 0.5 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.702 0.287 . . . . 0.0 111.365 179.521 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 68.42 28.42 6.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.958 0.408 . . . . 0.0 110.448 -179.608 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 6.0 m -53.74 -76.07 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.754 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 1.1 m 168.63 105.88 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.493 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -47.72 -34.9 8.89 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.911 0.386 . . . . 0.0 110.657 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 5.3 mmtt -65.91 -46.22 79.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.205 0.526 . . . . 0.0 109.711 178.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 109' ' ' ASP . . . . . 0.719 ' O ' HD12 ' B' ' 113' ' ' LEU . 62.9 m-20 -62.87 -36.99 85.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.836 178.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 110' ' ' LEU . . . . . 0.904 HD11 ' HB2' ' B' ' 100' ' ' HIS . 20.3 mt -60.93 -50.64 72.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.922 179.107 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.94 -43.07 66.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.873 179.732 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 112' ' ' PHE . . . . . 0.862 ' O ' HG23 ' B' ' 116' ' ' VAL . 1.9 t80 -62.03 -38.42 88.64 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.801 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 113' ' ' LEU . . . . . 0.719 HD12 ' O ' ' B' ' 109' ' ' ASP . 0.4 OUTLIER -75.51 -34.46 60.82 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.156 -179.768 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 114' ' ' HIS . . . . . 0.72 ' HA ' HD21 ' B' ' 93' ' ' LEU . 98.1 m-70 -60.91 -37.11 81.11 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 178.591 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.81 -37.6 64.86 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 178.508 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 116' ' ' VAL . . . . . 0.952 HG11 ' CB ' ' A' ' 14' ' ' ALA . 47.5 t -59.05 -23.77 25.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.234 -0.894 . . . . 0.0 109.96 178.47 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 117' ' ' PHE . . . . . 0.625 ' HZ ' HD11 ' A' ' 18' ' ' LEU . 22.2 m-85 -105.06 -29.88 10.12 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.365 -179.782 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 118' ' ' GLN . . . . . 0.43 ' NE2' ' O ' ' B' ' 114' ' ' HIS . 0.0 OUTLIER -63.43 -29.47 70.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.236 -179.595 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -46.34 131.56 10.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.45 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -72.77 -46.49 53.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.731 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -55.95 -34.71 65.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.694 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . 0.862 HD12 HD12 ' B' ' 125' ' ' LEU . 44.3 tp -56.35 -49.16 75.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.307 179.703 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 123' ' ' HIS . . . . . 0.943 ' HA ' HD12 ' B' ' 126' ' ' LEU . 46.3 m170 -53.07 -26.05 14.84 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.201 179.106 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 124' ' ' THR . . . . . 0.572 HG21 HG23 ' A' ' 61' ' ' VAL . 5.7 m -77.54 -34.67 53.8 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.042 179.298 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . 0.862 HD12 HD12 ' B' ' 122' ' ' LEU . 13.1 mt -65.98 -38.95 89.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.779 179.694 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . 0.943 HD12 ' HA ' ' B' ' 123' ' ' HIS . 0.3 OUTLIER -73.54 -46.46 47.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.431 -179.64 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -56.6 -51.48 68.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.995 0.426 . . . . 0.0 110.899 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . 0.803 HD21 ' CD2' ' C' ' 59' ' ' TYR . 9.9 mt -71.14 -29.04 64.73 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.331 179.495 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 129' ' ' TYR . . . . . 0.955 ' CE2' HG23 ' A' ' 43' ' ' ILE . 0.2 OUTLIER -55.19 -53.84 50.93 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.164 -179.239 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 130' ' ' ASP . . . . . 0.43 ' HB3' ' CD2' ' B' ' 82' ' ' LEU . 2.4 m-20 -77.65 -31.04 52.45 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.156 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 131' ' ' LYS . . . . . 0.674 ' HD2' HD13 ' B' ' 82' ' ' LEU . 0.3 OUTLIER -54.94 -52.02 64.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.877 179.876 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 132' ' ' ILE . . . . . 0.596 HD12 ' O ' ' B' ' 128' ' ' LEU . 3.0 mt -76.15 -39.13 35.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.636 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 133' ' ' ASN . . . . . . . . . . . . . 33.7 t30 -64.19 -28.6 69.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.92 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 134' ' ' THR . . . . . 0.65 HG22 ' O ' ' B' ' 134' ' ' THR . 61.6 m -95.51 23.01 6.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.289 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 47.03 26.68 0.64 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.592 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 -179.479 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 7' ' ' ARG . . . . . 0.4 ' NH1' ' HB2' ' C' ' 7' ' ' ARG . 12.2 ttm105 . . . . . 0 CA--C 1.521 -0.173 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.93 -42.6 94.53 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.005 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 51.3 mm-40 -73.84 -30.83 62.9 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.944 179.018 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.47 -29.72 52.81 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.367 179.442 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 11' ' ' THR . . . . . 0.438 HG21 ' CD1' ' C' ' 53' ' ' ILE . 1.9 p -71.4 -43.62 66.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.391 179.667 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 12' ' ' GLN . . . . . 0.434 ' HA ' HD23 ' C' ' 15' ' ' LEU . 0.7 OUTLIER -66.78 -42.65 85.67 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-O 120.919 0.39 . . . . 0.0 110.272 179.541 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 -67.81 -26.19 65.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.155 179.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 14' ' ' ALA . . . . . 0.693 ' CB ' HG11 ' D' ' 116' ' ' VAL . . . -78.64 -54.8 5.74 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.679 178.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 15' ' ' LEU . . . . . 0.83 HD22 ' HB3' ' C' ' 44' ' ' PHE . 0.3 OUTLIER -64.37 -27.14 68.81 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.612 179.227 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' C' C ' 16' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -70.94 -45.41 64.23 Favored 'General case' 0 C--O 1.234 0.268 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 178.196 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . 0.745 HD22 ' CE1' ' C' ' 21' ' ' TYR . 4.0 mt -63.73 -35.37 80.36 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.135 -0.938 . . . . 0.0 109.177 178.171 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . 1.012 HD22 HG23 ' C' ' 37' ' ' ILE . 13.2 mt -62.19 -42.25 99.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 114.966 -1.015 . . . . 0.0 110.752 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 19' ' ' GLU . . . . . 0.426 ' O ' ' HG2' ' C' ' 22' ' ' ARG . 20.7 mm-40 -62.4 -48.17 80.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.11 0.481 . . . . 0.0 110.942 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 20' ' ' GLU . . . . . 0.447 ' O ' ' HG3' ' C' ' 24' ' ' LYS . 6.1 mt-10 -70.86 -31.62 68.37 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.145 179.744 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 21' ' ' TYR . . . . . 0.745 ' CE1' HD22 ' C' ' 17' ' ' LEU . 8.4 m-30 -69.93 -46.16 65.95 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.818 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 22' ' ' ARG . . . . . 0.504 ' HB3' ' HB ' ' C' ' 37' ' ' ILE . 2.8 ptm180 -59.87 -39.81 86.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.87 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 23' ' ' SER . . . . . 0.45 ' N ' ' HG3' ' C' ' 22' ' ' ARG . 74.2 p -61.9 -46.23 90.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 24' ' ' LYS . . . . . 0.447 ' HG3' ' O ' ' C' ' 20' ' ' GLU . 45.7 mtpt -74.43 -31.46 62.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.312 0.577 . . . . 0.0 110.41 179.473 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 25' ' ' LEU . . . . . 1.024 HD11 ' HG ' ' C' ' 33' ' ' LEU . 0.3 OUTLIER -56.78 -73.66 0.06 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.168 -0.924 . . . . 0.0 111.726 -179.445 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . 0.505 ' HB3' ' HB3' ' C' ' 34' ' ' ARG . 24.4 p -58.92 -157.83 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.295 -179.138 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 27' ' ' GLN . . . . . 0.419 ' OE1' ' NH1' ' C' ' 31' ' ' ARG . 2.8 mp0 59.01 24.21 12.42 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.504 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 28' ' ' THR . . . . . 0.674 HG23 ' H ' ' C' ' 29' ' ' GLU . 6.8 t -148.74 -60.24 0.23 Allowed 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 121.088 0.471 . . . . 0.0 111.702 -179.017 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 29' ' ' GLU . . . . . 0.674 ' H ' HG23 ' C' ' 28' ' ' THR . 12.7 pt-20 -175.33 27.99 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.394 -179.102 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 30' ' ' ASP . . . . . 0.463 ' HB3' ' HB3' ' C' ' 33' ' ' LEU . 1.6 m-20 -152.29 56.84 0.83 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.159 0.504 . . . . 0.0 110.726 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . 0.518 ' O ' ' HG2' ' C' ' 34' ' ' ARG . 10.0 mmm180 -68.86 -43.17 75.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.405 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 21.6 tp60 -63.74 -34.14 77.22 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.178 0.513 . . . . 0.0 109.804 179.015 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 33' ' ' LEU . . . . . 1.024 ' HG ' HD11 ' C' ' 25' ' ' LEU . 0.1 OUTLIER -62.53 -48.96 77.25 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.639 179.625 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' C' C ' 34' ' ' ARG . . . . . 0.518 ' HG2' ' O ' ' C' ' 31' ' ' ARG . 0.7 OUTLIER -60.85 -31.87 71.29 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 179.094 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.15 -39.81 93.85 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.695 178.566 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 36' ' ' SER . . . . . 0.509 ' O ' ' HG2' ' C' ' 39' ' ' ARG . 2.1 m -62.4 -43.6 98.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.539 0.685 . . . . 0.0 109.835 178.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 37' ' ' ILE . . . . . 1.012 HG23 HD22 ' C' ' 18' ' ' LEU . 65.7 mt -60.97 -37.2 76.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.744 179.119 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -60.92 -51.77 67.87 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.525 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 39' ' ' ARG . . . . . 0.723 ' HG3' ' HB1' ' D' ' 88' ' ' ALA . 2.6 ptp180 -55.1 -37.8 67.3 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . 0.429 HG11 HD11 ' C' ' 18' ' ' LEU . 89.5 t -64.83 -33.64 64.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.757 178.395 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 41' ' ' ILE . . . . . 0.806 HG22 ' NE2' ' C' ' 45' ' ' GLN . 25.6 mm -65.22 -59.62 3.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 179.396 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 23.9 t -55.6 -44.03 76.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.925 0.393 . . . . 0.0 110.653 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 43' ' ' ILE . . . . . 0.556 HD13 ' HA ' ' D' ' 85' ' ' ALA . 13.7 mt -59.84 -35.83 62.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.803 179.239 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 44' ' ' PHE . . . . . 0.83 ' HB3' HD22 ' C' ' 15' ' ' LEU . 2.6 m-85 -73.12 -58.48 3.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.303 178.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 45' ' ' GLN . . . . . 0.806 ' NE2' HG22 ' C' ' 41' ' ' ILE . 25.4 mt-30 -63.03 -21.68 66.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.72 -179.205 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 46' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -39.76 149.44 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.953 0.406 . . . . 0.0 111.814 -179.269 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -72.79 -28.4 62.56 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.388 -179.464 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . 0.745 HD21 ' HB ' ' D' ' 132' ' ' ILE . 0.4 OUTLIER -79.2 -47.46 15.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.02 0.438 . . . . 0.0 110.212 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' C' C ' 49' ' ' PHE . . . . . 0.899 ' CE2' HD11 ' C' ' 53' ' ' ILE . 85.0 t80 -51.22 -55.71 16.65 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.297 -179.539 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 -54.75 -41.9 70.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.996 0.427 . . . . 0.0 110.485 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 51' ' ' ALA . . . . . 0.409 ' O ' HG12 ' C' ' 55' ' ' ILE . . . -58.76 -49.18 78.62 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.603 179.576 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 52' ' ' LEU . . . . . 0.737 HD12 ' CD1' ' C' ' 48' ' ' LEU . 0.5 OUTLIER -57.95 -45.64 86.31 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.39 179.388 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' C' C ' 53' ' ' ILE . . . . . 0.899 HD11 ' CE2' ' C' ' 49' ' ' PHE . 35.6 mt -51.16 -40.09 21.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 121.081 0.467 . . . . 0.0 110.087 178.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -66.88 -34.34 77.58 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.249 179.193 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 55' ' ' ILE . . . . . 0.72 HG22 ' HB2' ' C' ' 59' ' ' TYR . 37.3 mm -56.0 -40.83 65.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.852 179.678 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 56' ' ' GLN . . . . . 0.442 HE21 HD21 ' D' ' 125' ' ' LEU . 0.3 OUTLIER -52.71 -20.75 3.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.648 -179.861 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' C' C ' 57' ' ' GLU . . . . . 0.404 ' O ' ' CG ' ' C' ' 58' ' ' PHE . 2.4 mm-40 -42.96 -46.61 5.49 Favored 'General case' 0 N--CA 1.462 0.169 0 N-CA-C 111.712 0.264 . . . . 0.0 111.712 -179.777 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 58' ' ' PHE . . . . . 0.404 ' CG ' ' O ' ' C' ' 57' ' ' GLU . 90.3 m-85 -157.57 27.58 0.28 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.762 0.315 . . . . 0.0 111.645 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 59' ' ' TYR . . . . . 0.856 ' CE2' HD11 ' A' ' 63' ' ' LEU . 42.0 m-85 -126.27 75.42 1.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.248 179.43 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.93 96.21 0.13 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.813 0.34 . . . . 0.0 111.067 -179.557 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 61' ' ' VAL . . . . . 0.636 HG12 HG13 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -72.93 98.96 0.94 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.188 0 CA-C-O 120.8 0.333 . . . . 0.0 110.906 179.695 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' C' C ' 62' ' ' THR . . . . . . . . . . . . . 22.3 m -83.66 117.03 22.92 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.65 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 63' ' ' LEU . . . . . 0.498 ' C ' HD23 ' C' ' 64' ' ' LEU . 0.1 OUTLIER -89.93 129.62 36.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.786 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' C' C ' 64' ' ' LEU . . . . . 0.874 HD23 ' N ' ' C' ' 64' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.472 -179.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 82' ' ' LEU . . . . . 0.492 HD23 ' O ' ' D' ' 82' ' ' LEU . 6.7 tt . . . . . 0 N--CA 1.454 -0.269 0 CA-C-O 120.852 0.358 . . . . 0.0 111.35 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 83' ' ' LEU . . . . . 0.931 HD23 ' H ' ' D' ' 84' ' ' ALA . 0.0 OUTLIER -79.09 -50.93 10.26 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.998 -178.924 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' D' D ' 84' ' ' ALA . . . . . 0.963 ' HB1' ' HB2' ' D' ' 88' ' ' ALA . . . -74.51 -23.26 58.81 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.297 -179.459 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 85' ' ' ALA . . . . . 0.899 ' HB1' ' HB3' ' D' ' 126' ' ' LEU . . . -51.99 -25.71 8.97 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.529 -0.468 . . . . 0.0 109.875 179.316 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 86' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -124.33 -35.36 2.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.141 178.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 87' ' ' ARG . . . . . 0.704 ' HB3' ' O ' ' D' ' 83' ' ' LEU . 17.0 ttt180 -71.92 -38.83 69.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.703 179.655 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 88' ' ' ALA . . . . . 0.963 ' HB2' ' HB1' ' D' ' 84' ' ' ALA . . . -73.41 -36.88 66.07 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.037 -179.552 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 89' ' ' VAL . . . . . 0.774 HG13 ' CD1' ' D' ' 117' ' ' PHE . 45.8 t -76.27 -37.56 32.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.721 179.635 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 38.4 m -76.22 -40.57 51.82 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.439 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 91' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -66.25 -46.52 76.83 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 121.125 0.488 . . . . 0.0 109.871 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 92' ' ' VAL . . . . . 0.606 HG23 ' O ' ' D' ' 88' ' ' ALA . 60.0 t -68.62 -27.76 37.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.394 178.008 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 93' ' ' LEU . . . . . 0.699 HD21 ' HA ' ' D' ' 114' ' ' HIS . 1.7 mt -62.12 -41.18 97.99 Favored 'General case' 0 C--O 1.231 0.089 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.297 179.733 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.19 -29.84 34.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.225 -179.625 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 95' ' ' SER . . . . . 0.805 ' HB3' HD21 ' C' ' 33' ' ' LEU . 20.0 m -79.9 -24.58 41.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.289 -0.414 . . . . 0.0 112.067 -179.344 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 96' ' ' LEU . . . . . 0.696 HD22 HD22 ' D' ' 110' ' ' LEU . 0.2 OUTLIER -38.75 -49.84 1.62 Allowed 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -179.331 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -64.83 -32.05 73.56 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.564 -179.188 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 98' ' ' GLU . . . . . 0.803 ' O ' ' HB3' ' D' ' 101' ' ' ALA . 0.1 OUTLIER -69.05 -35.96 77.17 Favored 'General case' 0 C--O 1.237 0.405 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 178.018 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' D' D ' 99' ' ' ILE . . . . . 0.905 HD13 HD11 ' C' ' 37' ' ' ILE . 20.3 mt -60.2 -48.52 87.78 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.883 0 CA-C-N 114.283 -1.326 . . . . 0.0 110.254 178.76 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 100' ' ' HIS . . . . . 0.743 ' HB2' HD11 ' D' ' 110' ' ' LEU . 1.9 t-160 -57.64 -35.7 70.86 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 178.215 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 101' ' ' ALA . . . . . 0.803 ' HB3' ' O ' ' D' ' 98' ' ' GLU . . . -53.66 -43.05 68.5 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 114.662 -1.154 . . . . 0.0 111.406 179.156 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 102' ' ' LEU . . . . . 0.79 HD21 ' OE2' ' D' ' 98' ' ' GLU . 0.3 OUTLIER -118.04 22.23 12.34 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -177.679 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' D' D ' 103' ' ' THR . . . . . 0.619 HG23 HD12 ' D' ' 102' ' ' LEU . 42.7 p -140.47 -10.49 1.07 Allowed 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 55.23 23.73 5.73 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.917 0.389 . . . . 0.0 110.759 -179.397 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 105' ' ' SER . . . . . 0.496 ' HB3' ' CE1' ' C' ' 21' ' ' TYR . 0.2 OUTLIER -58.92 -19.58 43.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.161 179.77 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' D' D ' 106' ' ' SER . . . . . 0.413 ' CB ' ' O ' ' D' ' 105' ' ' SER . 4.3 t 81.1 121.09 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.465 -179.593 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -53.15 -23.75 9.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.289 -179.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 1.4 mmtp -60.54 -55.61 31.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.133 0.492 . . . . 0.0 110.162 179.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 109' ' ' ASP . . . . . 0.63 ' O ' HD12 ' D' ' 113' ' ' LEU . 7.4 m-20 -62.27 -36.71 82.92 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.552 178.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 110' ' ' LEU . . . . . 0.743 HD11 ' HB2' ' D' ' 100' ' ' HIS . 19.1 mt -60.93 -45.54 94.3 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.779 178.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 111' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -54.64 -45.93 73.84 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.686 179.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 112' ' ' PHE . . . . . 0.43 ' O ' HG23 ' D' ' 116' ' ' VAL . 0.6 OUTLIER -60.13 -38.94 84.57 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.668 179.751 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' D' D ' 113' ' ' LEU . . . . . 0.71 HD11 HD12 ' C' ' 17' ' ' LEU . 0.4 OUTLIER -76.24 -34.94 59.2 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.179 -179.742 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' D' D ' 114' ' ' HIS . . . . . 0.699 ' HA ' HD21 ' D' ' 93' ' ' LEU . 97.0 m-70 -59.93 -34.77 73.67 Favored 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 178.185 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 115' ' ' SER . . . . . . . . . . . . . 3.7 t -74.24 -38.32 63.54 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 178.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 116' ' ' VAL . . . . . 0.851 ' O ' HD22 ' D' ' 122' ' ' LEU . 14.0 t -59.41 -23.83 26.44 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.73 178.511 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 117' ' ' PHE . . . . . 0.774 ' CD1' HG13 ' D' ' 89' ' ' VAL . 24.2 m-85 -103.42 -30.36 10.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.157 -179.711 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 118' ' ' GLN . . . . . 0.421 ' NE2' ' O ' ' D' ' 114' ' ' HIS . 0.0 OUTLIER -65.26 -30.14 70.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.028 -179.607 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -45.43 113.04 0.52 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.47 -179.575 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 120' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -58.17 -35.48 71.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.696 179.793 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 121' ' ' HIS . . . . . 0.4 ' O ' ' HG ' ' D' ' 125' ' ' LEU . 16.0 m80 -62.84 -35.54 80.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.647 179.699 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 122' ' ' LEU . . . . . 0.851 HD22 ' O ' ' D' ' 116' ' ' VAL . 44.3 tp -56.52 -49.1 75.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.641 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 123' ' ' HIS . . . . . 1.005 ' HA ' HD12 ' D' ' 126' ' ' LEU . 11.7 m170 -55.38 -23.83 26.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.249 179.159 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 124' ' ' THR . . . . . 0.588 HG21 HG23 ' C' ' 61' ' ' VAL . 2.3 m -76.31 -38.72 55.65 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 178.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 125' ' ' LEU . . . . . 0.82 HD12 HD12 ' D' ' 122' ' ' LEU . 2.8 mt -70.79 -28.64 64.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.748 178.568 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 126' ' ' LEU . . . . . 1.005 HD12 ' HA ' ' D' ' 123' ' ' HIS . 11.5 mt -73.6 -50.76 19.58 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.648 -179.483 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 127' ' ' ASP . . . . . 0.424 ' OD2' ' HA ' ' D' ' 124' ' ' THR . 1.3 p30 -64.86 -38.89 92.49 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 179.087 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 128' ' ' LEU . . . . . 0.83 HD21 ' CD2' ' A' ' 59' ' ' TYR . 44.2 mt -73.65 -29.7 62.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.855 178.522 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 129' ' ' TYR . . . . . 0.743 ' HA ' HD12 ' C' ' 48' ' ' LEU . 7.8 t80 -55.7 -52.34 64.22 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.579 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 130' ' ' ASP . . . . . 0.429 ' CG ' ' HB2' ' D' ' 82' ' ' LEU . 11.4 t70 -76.98 -31.26 56.39 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.691 -0.404 . . . . 0.0 111.323 179.514 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.44 -50.45 67.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.038 -179.522 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 132' ' ' ILE . . . . . 0.745 ' HB ' HD21 ' C' ' 48' ' ' LEU . 5.0 mt -78.77 -38.66 21.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.827 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 133' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 . . . . . 0 C--N 1.326 -0.415 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.119 -179.886 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.825 ' O ' HG23 ' A' ' 11' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.209 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.54 -36.8 83.78 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 121.145 0.497 . . . . 0.0 109.832 179.047 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 59.2 mm-40 -76.71 -28.65 55.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.219 179.199 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.698 ' HB3' HG22 ' B' ' 116' ' ' VAL . 5.5 m-20 -78.97 -32.62 45.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.446 179.662 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.825 HG23 ' O ' ' A' ' 7' ' ' ARG . 79.3 p -72.76 -41.36 65.17 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.426 179.539 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.412 ' HA ' HD23 ' A' ' 15' ' ' LEU . 0.6 OUTLIER -69.55 -40.19 76.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.323 179.583 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.6 ttm180 -73.31 -24.63 60.42 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.074 179.157 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.806 ' CB ' HG11 ' B' ' 116' ' ' VAL . . . -78.6 -51.28 10.13 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.104 179.155 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.878 HD22 ' HB3' ' A' ' 44' ' ' PHE . 0.4 OUTLIER -67.76 -25.05 65.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.645 179.579 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.3 m170 -72.99 -45.85 55.56 Favored 'General case' 0 CA--C 1.518 -0.27 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 178.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.941 HD22 ' CE1' ' A' ' 21' ' ' TYR . 3.0 mt -63.35 -35.5 80.59 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.227 178.352 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.898 ' CD2' HG11 ' B' ' 92' ' ' VAL . 31.8 mt -63.36 -40.95 98.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.133 -0.94 . . . . 0.0 110.503 179.517 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.624 ' CD ' HG21 ' A' ' 41' ' ' ILE . 2.2 mt-10 -64.04 -38.61 91.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.489 179.665 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.65 -36.95 62.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.225 179.679 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.941 ' CE1' HD22 ' A' ' 17' ' ' LEU . 11.8 m-30 -67.52 -46.47 72.74 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.925 179.561 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.543 ' HA ' HD13 ' A' ' 37' ' ' ILE . 4.2 ttt180 -55.58 -51.33 67.47 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.792 179.531 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 72.2 p -57.96 -36.98 73.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.115 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.421 ' O ' HG22 ' B' ' 103' ' ' THR . 8.4 ptmt -96.09 4.0 52.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.702 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.986 HD12 HD11 ' A' ' 37' ' ' ILE . 0.2 OUTLIER -94.05 -66.09 0.94 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.002 0.429 . . . . 0.0 111.149 -179.751 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.531 ' HB3' ' HB2' ' A' ' 34' ' ' ARG . 1.5 p -60.41 -157.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.144 -179.187 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.423 ' OE1' ' NH1' ' A' ' 31' ' ' ARG . 1.3 mp0 59.62 28.14 17.5 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 120.964 0.412 . . . . 0.0 110.459 -179.762 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.767 HG23 ' H ' ' A' ' 29' ' ' GLU . 3.7 t -150.3 -63.51 0.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.379 -179.546 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.767 ' H ' HG23 ' A' ' 28' ' ' THR . 26.8 pt-20 -170.01 27.66 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.68 -179.289 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.536 ' HB2' HD22 ' A' ' 25' ' ' LEU . 4.8 m-20 -146.74 56.33 1.14 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.999 0.428 . . . . 0.0 110.783 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.423 ' NH1' ' OE1' ' A' ' 27' ' ' GLN . 12.9 mmm180 -66.23 -48.27 71.11 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.143 179.781 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -58.72 -48.94 79.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.799 178.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.845 HD21 ' HB3' ' B' ' 95' ' ' SER . 9.4 tp -53.51 -35.51 60.72 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.032 178.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.638 ' HA ' HD12 ' A' ' 37' ' ' ILE . 6.7 ttp180 -60.67 -43.96 97.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.722 178.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.6 m -60.67 -32.65 71.84 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.47 -0.787 . . . . 0.0 110.456 179.234 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.427 ' O ' ' HG2' ' A' ' 39' ' ' ARG . 61.0 m -66.41 -51.29 58.5 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.93 0.395 . . . . 0.0 110.628 179.695 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.986 HD11 HD12 ' A' ' 25' ' ' LEU . 6.4 mt -56.55 -40.58 69.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.268 0.556 . . . . 0.0 109.83 179.152 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.81 -52.59 64.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.042 -0.981 . . . . 0.0 111.909 -179.636 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.58 ' HG3' ' HB1' ' B' ' 88' ' ' ALA . 3.0 ptp180 -55.77 -34.59 65.38 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.066 -179.649 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.663 HG12 ' CD2' ' A' ' 44' ' ' PHE . 98.5 t -66.83 -34.42 69.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 178.17 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.685 HD11 ' HB3' ' A' ' 18' ' ' LEU . 12.4 mm -64.96 -61.07 1.87 Allowed 'Isoleucine or valine' 0 C--O 1.227 -0.131 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.05 179.232 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.3 p -54.97 -47.33 74.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.626 -179.423 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.773 HG23 ' CE2' ' B' ' 129' ' ' TYR . 14.2 mt -59.88 -32.01 48.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.738 178.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.878 ' HB3' HD22 ' A' ' 15' ' ' LEU . 0.5 OUTLIER -72.59 -58.59 3.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.819 178.926 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.585 ' NE2' HG22 ' A' ' 41' ' ' ILE . 22.3 mt-30 -66.63 -17.23 64.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.515 -179.563 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.456 ' CB ' ' CE1' ' B' ' 129' ' ' TYR . 1.2 m -38.81 127.02 1.56 Allowed 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.94 0.4 . . . . 0.0 111.623 -179.53 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -55.04 -29.74 58.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.295 -179.806 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.788 ' O ' HD12 ' A' ' 48' ' ' LEU . 1.3 tp -79.84 -47.91 14.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.71 0.291 . . . . 0.0 110.803 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.798 ' CE2' HD11 ' A' ' 53' ' ' ILE . 79.7 t80 -50.99 -51.98 47.37 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.865 -179.677 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -59.28 -35.83 74.47 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.93 0.395 . . . . 0.0 110.427 179.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 48' ' ' LEU . . . -58.79 -43.67 90.52 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.321 179.565 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.504 HD13 ' O ' ' B' ' 125' ' ' LEU . 1.8 mt -62.24 -44.1 97.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.103 179.206 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.798 HD11 ' CE2' ' A' ' 49' ' ' PHE . 53.5 mt -52.09 -41.99 33.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.558 179.391 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -67.24 -38.1 84.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.411 179.398 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.687 HG22 ' HB2' ' A' ' 59' ' ' TYR . 68.3 mt -61.59 -41.51 90.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.641 179.564 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -51.92 -23.44 4.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.609 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.405 ' O ' ' CD1' ' A' ' 58' ' ' PHE . 68.4 mt-10 -47.1 -36.82 8.77 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.692 -179.685 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.405 ' CD1' ' O ' ' A' ' 57' ' ' GLU . 61.2 m-85 -154.28 30.08 0.44 Allowed 'General case' 0 C--O 1.234 0.251 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 -179.529 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.981 ' CD2' HD21 ' D' ' 128' ' ' LEU . 57.5 m-85 -134.09 75.39 1.59 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.563 179.477 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.405 ' HB2' ' HB ' ' C' ' 62' ' ' THR . 1.0 OUTLIER -63.26 100.35 0.23 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.8 -179.743 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.598 HG12 ' HB3' ' C' ' 59' ' ' TYR . 0.0 OUTLIER -72.83 96.94 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.966 0.412 . . . . 0.0 110.684 179.841 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.419 ' HB ' ' CB ' ' C' ' 60' ' ' GLU . 1.7 m -72.34 116.95 13.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.975 -179.788 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.654 HD11 ' CZ ' ' C' ' 59' ' ' TYR . 2.9 tp -88.27 118.48 27.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.337 179.423 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.511 ' N ' HD23 ' A' ' 64' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.341 -179.71 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . 0.74 HD23 ' O ' ' B' ' 82' ' ' LEU . 8.8 tt . . . . . 0 N--CA 1.45 -0.434 0 CA-C-O 120.743 0.306 . . . . 0.0 111.579 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . 0.885 HD23 ' H ' ' B' ' 84' ' ' ALA . 0.0 OUTLIER -72.44 -49.45 33.34 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.007 0.432 . . . . 0.0 110.677 -179.578 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 0.885 ' H ' HD23 ' B' ' 83' ' ' LEU . . . -67.98 -25.6 65.51 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.58 -178.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 85' ' ' ALA . . . . . 0.822 ' HB1' ' HB3' ' B' ' 126' ' ' LEU . . . -52.5 -24.71 8.54 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.494 -0.482 . . . . 0.0 110.198 179.383 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -126.02 -44.81 1.75 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.991 178.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 87' ' ' ARG . . . . . 0.666 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 7.7 ttt85 -57.9 -47.46 82.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.355 179.139 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . 0.699 ' HB3' ' O ' ' B' ' 84' ' ' ALA . . . -56.36 -46.25 80.1 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.406 -0.816 . . . . 0.0 111.373 -179.267 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 89' ' ' VAL . . . . . 0.554 HG12 ' HB3' ' B' ' 117' ' ' PHE . 25.4 t -69.61 -30.17 44.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.074 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 13.4 t -74.7 -35.5 62.73 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.79 -179.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 91' ' ' GLN . . . . . 0.584 ' HG3' ' O ' ' B' ' 87' ' ' ARG . 6.2 mt-30 -68.69 -52.91 25.85 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-O 121.2 0.524 . . . . 0.0 109.633 179.741 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 92' ' ' VAL . . . . . 0.898 HG11 ' CD2' ' A' ' 18' ' ' LEU . 12.5 t -63.55 -27.83 43.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.086 179.364 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 93' ' ' LEU . . . . . 0.797 HD21 ' HA ' ' B' ' 114' ' ' HIS . 1.8 mt -66.54 -43.28 85.53 Favored 'General case' 0 C--N 1.337 0.041 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.448 179.667 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.57 -33.89 35.77 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.81 -179.73 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 95' ' ' SER . . . . . 0.845 ' HB3' HD21 ' A' ' 33' ' ' LEU . 8.2 m -79.96 -22.91 42.05 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.568 -179.773 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . 0.998 HD22 HD22 ' B' ' 110' ' ' LEU . 0.2 OUTLIER -38.01 -52.59 1.39 Allowed 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -179.358 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -70.11 -28.32 65.29 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.971 0.415 . . . . 0.0 111.022 -179.356 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . 0.802 ' O ' ' HB3' ' B' ' 101' ' ' ALA . 0.1 OUTLIER -69.82 -34.79 74.15 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.796 -1.186 . . . . 0.0 107.796 177.755 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 99' ' ' ILE . . . . . 0.619 HG23 HG21 ' B' ' 103' ' ' THR . 39.8 mt -62.45 -49.79 82.45 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.777 0 CA-C-N 114.446 -1.252 . . . . 0.0 109.88 178.595 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 100' ' ' HIS . . . . . 0.909 ' HB2' HD11 ' B' ' 110' ' ' LEU . 1.9 t-160 -56.57 -33.76 66.46 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 178.231 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 101' ' ' ALA . . . . . 0.802 ' HB3' ' O ' ' B' ' 98' ' ' GLU . . . -56.65 -45.61 81.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 114.459 -1.246 . . . . 0.0 111.899 179.419 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 102' ' ' LEU . . . . . 0.78 HD21 ' OE2' ' B' ' 98' ' ' GLU . 0.4 OUTLIER -117.37 26.5 9.7 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.615 -0.721 . . . . 0.0 112.684 -177.361 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 103' ' ' THR . . . . . 0.675 HG23 HD12 ' B' ' 102' ' ' LEU . 33.9 p -140.64 -31.98 0.6 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.717 0.294 . . . . 0.0 111.534 179.677 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 13.1 t70 68.45 27.47 6.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.905 0.384 . . . . 0.0 110.397 -179.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 3.3 m -54.31 -76.78 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.724 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 167.76 104.01 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.56 179.774 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -47.97 -32.86 6.99 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.92 0.39 . . . . 0.0 110.637 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.56 -46.61 72.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.629 178.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 109' ' ' ASP . . . . . 0.654 ' O ' HD12 ' B' ' 113' ' ' LEU . 60.4 m-20 -63.05 -36.93 85.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.721 178.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 110' ' ' LEU . . . . . 0.998 HD22 HD22 ' B' ' 96' ' ' LEU . 29.5 mt -60.26 -39.78 88.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.899 179.049 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.8 -43.68 95.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.559 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 112' ' ' PHE . . . . . 0.409 ' O ' HG23 ' B' ' 116' ' ' VAL . 2.7 t80 -58.44 -38.75 78.11 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.416 179.716 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 113' ' ' LEU . . . . . 0.688 HD11 ' CD1' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -76.11 -31.28 58.6 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.944 -179.766 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 114' ' ' HIS . . . . . 0.797 ' HA ' HD21 ' B' ' 93' ' ' LEU . 0.0 OUTLIER -64.92 -29.77 70.73 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 178.834 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . 0.433 ' N ' ' CD2' ' B' ' 114' ' ' HIS . 0.3 OUTLIER -79.2 -38.49 35.64 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 177.8 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 116' ' ' VAL . . . . . 0.818 ' O ' HD22 ' B' ' 122' ' ' LEU . 16.5 t -61.99 -23.73 32.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.592 178.07 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 117' ' ' PHE . . . . . 0.61 ' HZ ' HD11 ' A' ' 18' ' ' LEU . 17.9 m-85 -99.98 -30.54 11.94 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.286 -179.692 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 118' ' ' GLN . . . . . 0.487 ' NE2' HD11 ' B' ' 93' ' ' LEU . 0.0 OUTLIER -66.94 -29.4 69.26 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.415 -179.531 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -46.66 114.19 0.78 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.419 -179.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.02 -38.33 85.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.548 179.758 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -59.64 -34.32 72.65 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.617 179.704 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . 0.851 HD12 HD12 ' B' ' 125' ' ' LEU . 47.7 tp -56.16 -46.29 79.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.504 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 123' ' ' HIS . . . . . 1.01 ' HA ' HD12 ' B' ' 126' ' ' LEU . 38.7 m170 -57.58 -25.33 59.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.07 179.078 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 124' ' ' THR . . . . . 0.4 ' O ' ' HG ' ' B' ' 128' ' ' LEU . 1.8 m -73.74 -37.92 64.92 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.179 -0.675 . . . . 0.0 109.179 178.759 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . 0.851 HD12 HD12 ' B' ' 122' ' ' LEU . 4.3 mt -71.32 -32.32 68.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.602 178.469 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . 1.01 HD12 ' HA ' ' B' ' 123' ' ' HIS . 7.5 mt -73.34 -50.62 21.06 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.145 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.22 -53.04 62.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.095 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . 0.931 HD21 ' CD2' ' C' ' 59' ' ' TYR . 14.3 mt -60.85 -39.06 87.67 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.638 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 129' ' ' TYR . . . . . 0.773 ' CE2' HG23 ' A' ' 43' ' ' ILE . 1.0 OUTLIER -56.34 -40.94 75.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.132 0.491 . . . . 0.0 110.354 179.582 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 130' ' ' ASP . . . . . 0.645 ' OD1' ' HB2' ' B' ' 85' ' ' ALA . 0.3 OUTLIER -76.23 -40.27 52.45 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.196 179.93 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 24.8 mmtt -54.56 -54.12 45.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.358 -179.29 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 132' ' ' ILE . . . . . 0.807 HD12 ' O ' ' B' ' 128' ' ' LEU . 1.8 mt -72.87 -35.86 50.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.912 0.387 . . . . 0.0 110.708 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 133' ' ' ASN . . . . . 0.589 ' HB2' HD23 ' A' ' 48' ' ' LEU . 48.0 t-20 -63.69 -25.88 68.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.818 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 134' ' ' THR . . . . . 0.643 HG22 ' O ' ' B' ' 134' ' ' THR . 58.2 m -94.39 28.81 2.43 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.19 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 135' ' ' LYS . . . . . 0.447 ' HG3' ' O ' ' B' ' 134' ' ' THR . 1.6 pttp 41.81 32.08 0.25 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.696 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 10.8 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.98 179.913 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' C' C ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.13 -36.31 83.2 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.2 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -75.74 -28.93 58.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.026 179.071 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 10' ' ' ASP . . . . . 0.718 ' HB3' HG22 ' D' ' 116' ' ' VAL . 4.4 m-20 -79.47 -30.61 42.17 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.301 179.537 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 3.3 p -73.08 -42.39 63.07 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.542 179.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 12' ' ' GLN . . . . . 0.477 ' HA ' HD23 ' C' ' 15' ' ' LEU . 0.7 OUTLIER -71.13 -38.75 72.26 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.357 179.515 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 18.7 ttm180 -73.04 -24.77 60.75 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.931 178.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 14' ' ' ALA . . . . . 0.856 ' CB ' HG11 ' D' ' 116' ' ' VAL . . . -78.47 -54.23 6.39 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.6 178.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 15' ' ' LEU . . . . . 0.877 ' HA ' HD12 ' C' ' 18' ' ' LEU . 0.4 OUTLIER -62.34 -26.07 68.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.602 179.38 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' C' C ' 16' ' ' HIS . . . . . . . . . . . . . 6.8 m170 -73.19 -45.88 53.83 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 178.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . 0.697 ' CD1' HD11 ' D' ' 113' ' ' LEU . 5.7 mt -63.15 -36.4 83.48 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.458 178.618 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . 0.982 HD22 HG11 ' D' ' 92' ' ' VAL . 38.8 mt -62.99 -46.8 85.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.632 179.587 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 19' ' ' GLU . . . . . 0.407 ' CG ' HG21 ' C' ' 41' ' ' ILE . 15.4 mt-10 -57.91 -41.51 82.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.767 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -71.53 -32.36 68.07 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.221 179.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 21' ' ' TYR . . . . . 0.67 ' O ' ' HB2' ' C' ' 25' ' ' LEU . 14.4 m-30 -70.13 -48.65 56.58 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.451 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 22' ' ' ARG . . . . . 0.461 ' HB2' ' CG ' ' C' ' 34' ' ' ARG . 6.5 ptm180 -55.66 -42.66 75.39 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.607 179.455 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 17.7 t -59.68 -43.27 94.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.734 179.498 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 24' ' ' LYS . . . . . 0.53 ' O ' HG22 ' D' ' 103' ' ' THR . 10.1 ptmt -98.74 13.17 33.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.74 -179.802 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 25' ' ' LEU . . . . . 0.923 HD12 HD11 ' C' ' 37' ' ' ILE . 0.0 OUTLIER -107.85 -67.5 0.96 Allowed 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.815 0.302 . . . . 0.0 111.815 -179.269 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . 0.589 ' CB ' ' HB2' ' C' ' 34' ' ' ARG . 0.0 OUTLIER -61.74 -18.13 58.58 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -178.399 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' C' C ' 27' ' ' GLN . . . . . 0.435 ' OE1' ' NH1' ' C' ' 31' ' ' ARG . 0.3 OUTLIER -72.65 57.38 0.41 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.946 0.403 . . . . 0.0 111.077 -179.513 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' C' C ' 28' ' ' THR . . . . . 0.632 HG22 ' O ' ' C' ' 25' ' ' LEU . 9.0 t -176.34 -58.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 112.058 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 29' ' ' GLU . . . . . 0.626 ' N ' HG23 ' C' ' 28' ' ' THR . 14.8 pt-20 -168.57 29.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -178.792 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 30' ' ' ASP . . . . . 0.57 ' HB2' HD22 ' C' ' 25' ' ' LEU . 2.0 m-20 -141.93 47.23 1.64 Allowed 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 120.932 -0.307 . . . . 0.0 111.654 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . 0.468 ' HA ' ' HB2' ' C' ' 26' ' ' SER . 10.8 mmm180 -54.87 -51.88 64.56 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.181 0.515 . . . . 0.0 110.715 179.456 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.04 -45.88 75.26 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.098 179.116 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 33' ' ' LEU . . . . . 0.886 HD21 ' HB3' ' D' ' 95' ' ' SER . 3.9 tp -53.1 -35.09 59.25 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.951 179.073 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 34' ' ' ARG . . . . . 0.589 ' HB2' ' CB ' ' C' ' 26' ' ' SER . 6.0 ttp180 -60.76 -45.83 92.8 Favored 'General case' 0 CA--C 1.512 -0.495 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 178.535 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 10.4 t -54.13 -36.9 63.78 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.376 179.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 36' ' ' SER . . . . . 0.484 ' O ' HG23 ' C' ' 40' ' ' VAL . 3.9 p -68.88 -49.63 56.58 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.951 0.405 . . . . 0.0 110.319 179.051 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 37' ' ' ILE . . . . . 0.923 HD11 HD12 ' C' ' 25' ' ' LEU . 52.0 mt -58.1 -38.14 65.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.081 0.467 . . . . 0.0 109.816 178.809 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -61.45 -52.38 64.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.61 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 39' ' ' ARG . . . . . 0.602 ' HG3' ' HB1' ' D' ' 88' ' ' ALA . 4.3 ptp85 -55.52 -35.05 65.21 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.652 -0.419 . . . . 0.0 109.897 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . 0.716 HG12 ' CD2' ' C' ' 44' ' ' PHE . 57.9 t -68.73 -31.96 52.99 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 CA-C-N 116.257 -0.429 . . . . 0.0 109.925 178.336 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 41' ' ' ILE . . . . . 0.622 HG12 ' O ' ' C' ' 37' ' ' ILE . 8.6 mm -69.31 -59.48 3.51 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.601 179.672 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 16.5 p -57.76 -47.16 83.28 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-O 121.022 0.439 . . . . 0.0 110.5 -179.228 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 43' ' ' ILE . . . . . 0.452 ' HA ' ' CZ ' ' D' ' 129' ' ' TYR . 31.2 mt -59.94 -33.08 51.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.966 179.05 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 44' ' ' PHE . . . . . 0.787 ' HB3' HD22 ' C' ' 15' ' ' LEU . 0.2 OUTLIER -73.04 -57.48 4.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.804 -179.932 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' C' C ' 45' ' ' GLN . . . . . 0.402 ' NE2' HG22 ' C' ' 41' ' ' ILE . 5.0 pt20 -80.21 -18.5 49.38 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 -176.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 46' ' ' SER . . . . . 0.437 ' CB ' ' OH ' ' D' ' 129' ' ' TYR . 0.4 OUTLIER -45.28 143.92 1.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.989 0.424 . . . . 0.0 111.328 -179.286 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -54.94 -22.53 15.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.389 -178.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . 0.658 HD13 ' O ' ' C' ' 48' ' ' LEU . 0.3 OUTLIER -75.74 -46.2 32.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.818 0.342 . . . . 0.0 111.033 -179.475 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' C' C ' 49' ' ' PHE . . . . . 0.906 ' CE2' HD11 ' C' ' 53' ' ' ILE . 19.7 t80 -51.29 -56.3 13.72 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.54 -179.195 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 50.2 mm-40 -51.75 -39.17 58.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.866 0.365 . . . . 0.0 110.739 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 51' ' ' ALA . . . . . 0.514 ' CB ' HG23 ' B' ' 132' ' ' ILE . . . -60.76 -52.24 65.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.764 179.517 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 52' ' ' LEU . . . . . 0.782 HD13 ' O ' ' D' ' 125' ' ' LEU . 1.2 mt -58.33 -46.99 85.17 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.721 179.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 53' ' ' ILE . . . . . 0.906 HD11 ' CE2' ' C' ' 49' ' ' PHE . 63.4 mt -53.64 -36.26 28.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.543 179.541 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.72 -30.64 64.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.623 179.474 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 55' ' ' ILE . . . . . 0.729 HG23 ' CD2' ' B' ' 128' ' ' LEU . 72.7 mt -70.07 -50.95 43.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.163 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 56' ' ' GLN . . . . . 0.407 ' HG2' ' HA ' ' C' ' 53' ' ' ILE . 5.3 pt20 -53.51 -23.15 9.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.533 -179.587 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.71 -35.19 13.49 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.633 0.254 . . . . 0.0 111.023 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 58' ' ' PHE . . . . . 0.422 ' HA ' ' HG ' ' A' ' 64' ' ' LEU . 80.7 m-85 -146.92 16.03 1.21 Allowed 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 59' ' ' TYR . . . . . 0.931 ' CD2' HD21 ' B' ' 128' ' ' LEU . 13.4 m-85 -130.64 62.28 1.6 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.886 0.374 . . . . 0.0 110.675 179.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 60' ' ' GLU . . . . . 0.419 ' CB ' ' HB ' ' A' ' 62' ' ' THR . 0.9 OUTLIER -48.29 95.8 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.976 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' C' C ' 61' ' ' VAL . . . . . 0.599 HG23 HG21 ' D' ' 124' ' ' THR . 0.1 OUTLIER -72.14 104.44 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.993 0.425 . . . . 0.0 111.276 -179.713 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' C' C ' 62' ' ' THR . . . . . 0.432 ' O ' HD23 ' C' ' 64' ' ' LEU . 2.5 m -89.19 110.43 21.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.472 179.753 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 63' ' ' LEU . . . . . 0.428 ' CD1' ' CE2' ' A' ' 59' ' ' TYR . 0.2 OUTLIER -82.56 132.47 35.19 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.835 -179.912 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' C' C ' 64' ' ' LEU . . . . . 0.681 HD23 ' N ' ' C' ' 64' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.469 -179.558 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 82' ' ' LEU . . . . . 0.804 ' N ' HD23 ' D' ' 82' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 83' ' ' LEU . . . . . 0.998 HD23 ' H ' ' D' ' 84' ' ' ALA . 0.3 OUTLIER -66.53 -47.12 73.88 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.021 -0.991 . . . . 0.0 110.698 -179.835 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' D' D ' 84' ' ' ALA . . . . . 0.998 ' H ' HD23 ' D' ' 83' ' ' LEU . . . -77.82 -20.04 53.9 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.435 -179.216 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 85' ' ' ALA . . . . . 0.87 ' HB1' ' HB2' ' D' ' 126' ' ' LEU . . . -52.3 -23.19 5.39 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.214 0.53 . . . . 0.0 110.112 179.253 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 86' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -128.29 -38.97 1.73 Allowed 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.536 178.72 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 87' ' ' ARG . . . . . 0.698 ' HB3' ' O ' ' D' ' 83' ' ' LEU . 31.9 ttt85 -65.53 -41.0 93.56 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.493 179.288 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 88' ' ' ALA . . . . . 0.983 ' HB2' ' HB1' ' D' ' 84' ' ' ALA . . . -70.6 -46.15 63.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.597 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 89' ' ' VAL . . . . . 0.587 HG12 ' HB3' ' D' ' 117' ' ' PHE . 28.9 t -68.69 -35.82 71.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.34 179.24 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 90' ' ' SER . . . . . 0.451 ' HA ' ' HB2' ' D' ' 93' ' ' LEU . 62.5 m -75.35 -24.75 57.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.632 179.308 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 91' ' ' GLN . . . . . 0.414 ' HB3' ' HB2' ' C' ' 36' ' ' SER . 11.3 mt-30 -67.69 -57.09 6.98 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-O 121.325 0.583 . . . . 0.0 109.627 179.357 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 92' ' ' VAL . . . . . 0.982 HG11 HD22 ' C' ' 18' ' ' LEU . 3.6 t -66.09 -27.99 42.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.262 -0.881 . . . . 0.0 109.902 179.127 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 93' ' ' LEU . . . . . 0.773 HD21 ' HA ' ' D' ' 114' ' ' HIS . 2.3 mt -64.36 -37.9 89.12 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.263 179.7 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -83.22 -35.35 25.49 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.929 0.395 . . . . 0.0 111.136 -179.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 95' ' ' SER . . . . . 0.886 ' HB3' HD21 ' C' ' 33' ' ' LEU . 16.1 m -80.59 -23.36 39.92 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.137 -179.509 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 96' ' ' LEU . . . . . 0.831 HD22 HD22 ' D' ' 110' ' ' LEU . 0.2 OUTLIER -36.83 -52.73 0.93 Allowed 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 112.722 0.638 . . . . 0.0 112.722 -178.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -70.54 -27.95 64.55 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.978 -179.376 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 98' ' ' GLU . . . . . 0.764 ' O ' ' HB3' ' D' ' 101' ' ' ALA . 0.1 OUTLIER -69.83 -34.73 74.05 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 177.597 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' D' D ' 99' ' ' ILE . . . . . 0.572 HG23 HG21 ' D' ' 103' ' ' THR . 24.8 mt -61.45 -49.74 83.24 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.756 0 CA-C-N 114.452 -1.249 . . . . 0.0 109.925 178.437 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 100' ' ' HIS . . . . . 0.816 ' HB2' HD11 ' D' ' 110' ' ' LEU . 1.8 t-160 -57.42 -33.79 68.25 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 178.326 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 101' ' ' ALA . . . . . 0.764 ' HB3' ' O ' ' D' ' 98' ' ' GLU . . . -57.8 -43.07 85.39 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.528 -1.214 . . . . 0.0 111.967 179.5 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 102' ' ' LEU . . . . . 0.657 HD12 HG23 ' D' ' 103' ' ' THR . 0.4 OUTLIER -119.41 25.94 9.75 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 -177.395 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' D' D ' 103' ' ' THR . . . . . 0.657 HG23 HD12 ' D' ' 102' ' ' LEU . 30.9 p -141.25 -32.91 0.53 Allowed 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 120.984 -0.286 . . . . 0.0 111.517 179.727 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 67.73 28.29 7.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.873 0.368 . . . . 0.0 110.448 -179.427 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 105' ' ' SER . . . . . 0.42 ' OG ' ' CE1' ' C' ' 21' ' ' TYR . 3.7 m -52.84 -75.93 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.892 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 169.64 105.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.405 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -47.48 -39.28 15.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.871 0.367 . . . . 0.0 110.736 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 5.2 mmtp -63.3 -43.88 96.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.146 0.498 . . . . 0.0 109.853 179.157 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 109' ' ' ASP . . . . . 0.714 ' O ' HD12 ' D' ' 113' ' ' LEU . 2.5 m-20 -65.03 -37.67 88.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.753 178.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 110' ' ' LEU . . . . . 0.831 HD22 HD22 ' D' ' 96' ' ' LEU . 13.3 mt -59.58 -49.67 76.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.929 179.136 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 111' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.66 -42.56 79.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.899 -179.697 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 112' ' ' PHE . . . . . 0.468 ' O ' HG23 ' D' ' 116' ' ' VAL . 2.4 t80 -58.67 -39.91 81.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.36 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 113' ' ' LEU . . . . . 0.714 HD12 ' O ' ' D' ' 109' ' ' ASP . 0.5 OUTLIER -73.71 -30.74 63.03 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.217 -179.704 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' D' D ' 114' ' ' HIS . . . . . 0.773 ' HA ' HD21 ' D' ' 93' ' ' LEU . 65.2 m80 -63.21 -34.85 78.55 Favored 'General case' 0 CA--C 1.517 -0.293 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 178.296 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 115' ' ' SER . . . . . . . . . . . . . 44.1 t -73.0 -39.54 65.97 Favored 'General case' 0 N--CA 1.453 -0.275 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 178.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 116' ' ' VAL . . . . . 0.873 ' O ' HD22 ' D' ' 122' ' ' LEU . 41.3 t -62.28 -23.39 31.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.141 -0.936 . . . . 0.0 109.698 178.326 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 117' ' ' PHE . . . . . 0.704 ' CZ ' HD11 ' C' ' 18' ' ' LEU . 8.4 m-30 -105.32 -18.88 13.97 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.585 -179.728 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 118' ' ' GLN . . . . . 0.444 ' NE2' HD11 ' D' ' 93' ' ' LEU . 0.0 OUTLIER -74.71 -33.65 62.46 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.725 0.298 . . . . 0.0 111.39 -179.5 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -42.45 127.95 3.82 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.711 -179.321 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 120' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -69.0 -46.9 66.84 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.674 179.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 121' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 -55.88 -34.03 65.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.404 179.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 122' ' ' LEU . . . . . 0.873 HD22 ' O ' ' D' ' 116' ' ' VAL . 24.3 tp -56.19 -50.41 71.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.286 179.844 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 123' ' ' HIS . . . . . 0.474 ' HA ' ' CD1' ' D' ' 126' ' ' LEU . 28.9 m170 -51.73 -27.14 11.03 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.176 179.023 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 124' ' ' THR . . . . . 0.599 HG21 HG23 ' C' ' 61' ' ' VAL . 6.2 m -75.7 -35.86 60.18 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.92 179.372 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 125' ' ' LEU . . . . . 0.782 ' O ' HD13 ' C' ' 52' ' ' LEU . 14.9 mt -62.32 -41.48 98.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.796 179.662 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 126' ' ' LEU . . . . . 0.87 ' HB2' ' HB1' ' D' ' 85' ' ' ALA . 1.7 mp -73.38 -40.43 64.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.46 -179.442 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 127' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.42 -53.5 57.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.946 0.403 . . . . 0.0 111.137 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 128' ' ' LEU . . . . . 0.981 HD21 ' CD2' ' A' ' 59' ' ' TYR . 2.4 mt -72.13 -29.09 63.72 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.339 179.622 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 129' ' ' TYR . . . . . 0.49 ' CD2' ' HB3' ' C' ' 48' ' ' LEU . 1.6 t80 -55.37 -52.56 63.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.313 -179.437 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 130' ' ' ASP . . . . . 0.432 ' HB3' ' CD2' ' D' ' 82' ' ' LEU . 2.2 m-20 -76.88 -36.44 56.73 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.832 0.349 . . . . 0.0 111.039 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 131' ' ' LYS . . . . . . . . . . . . . 7.1 mttm -56.57 -43.88 80.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.134 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 132' ' ' ILE . . . . . 0.641 HG12 HD11 ' A' ' 55' ' ' ILE . 5.3 mt -78.86 -39.05 21.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.865 0.364 . . . . 0.0 111.039 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 133' ' ' ASN . . . . . . . . . . . . . 16.6 t30 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.237 -179.591 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.09 -38.56 91.66 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 121.136 0.493 . . . . 0.0 109.692 179.046 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 55.4 mm-40 -74.17 -29.86 61.97 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.023 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.628 ' HB3' HG22 ' B' ' 116' ' ' VAL . 1.1 m-20 -80.03 -29.81 39.4 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.233 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.776 HG23 ' CD1' ' A' ' 44' ' ' PHE . 94.9 m -71.21 -42.21 69.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.117 179.571 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.416 ' O ' ' HB2' ' A' ' 16' ' ' HIS . 0.8 OUTLIER -69.51 -46.82 65.64 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.202 179.272 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.446 ' HD2' ' CE1' ' B' ' 112' ' ' PHE . 0.4 OUTLIER -65.91 -25.05 66.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.139 179.193 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.915 ' CB ' HG11 ' B' ' 116' ' ' VAL . . . -78.7 -54.71 5.82 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 179.065 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.762 ' O ' HD12 ' A' ' 41' ' ' ILE . 0.4 OUTLIER -65.92 -27.34 68.12 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.681 179.342 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.416 ' HB2' ' O ' ' A' ' 12' ' ' GLN . 4.6 m-70 -73.19 -45.51 55.93 Favored 'General case' 0 CA--C 1.52 -0.191 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 178.626 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.935 HD22 ' CE1' ' A' ' 21' ' ' TYR . 2.7 mt -60.92 -43.78 98.11 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.655 179.082 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.733 HD22 HG11 ' B' ' 92' ' ' VAL . 23.1 mt -58.94 -42.65 90.28 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.623 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.456 ' CG ' HG21 ' A' ' 41' ' ' ILE . 8.0 mt-10 -58.26 -44.02 88.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.195 0.521 . . . . 0.0 110.715 179.681 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -72.57 -31.6 65.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.035 179.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.935 ' CE1' HD22 ' A' ' 17' ' ' LEU . 10.7 m-30 -67.51 -47.68 69.27 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.521 179.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.452 ' HA ' HD12 ' A' ' 37' ' ' ILE . 2.7 ptm180 -60.19 -43.64 95.74 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 120.894 0.378 . . . . 0.0 110.612 179.593 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.6 t -57.37 -40.37 78.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.399 179.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.7 ptmt -96.9 3.9 51.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.566 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 1.07 HD12 HD11 ' A' ' 37' ' ' ILE . 0.1 OUTLIER -92.36 -66.87 0.89 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.88 0.371 . . . . 0.0 111.181 -179.852 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.467 ' HB3' ' HB2' ' A' ' 34' ' ' ARG . 2.9 p -60.45 -157.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.875 -179.483 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.422 ' OE1' ' NH1' ' A' ' 31' ' ' ARG . 1.8 mp0 59.72 25.4 14.38 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 120.822 0.344 . . . . 0.0 110.674 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.772 HG23 ' H ' ' A' ' 29' ' ' GLU . 3.5 t -147.87 -63.75 0.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.388 -179.568 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.772 ' H ' HG23 ' A' ' 28' ' ' THR . 12.6 pt-20 -170.4 27.87 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.607 -179.213 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.473 ' HB2' HD22 ' A' ' 25' ' ' LEU . 3.8 m-20 -146.73 53.11 1.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.035 0.445 . . . . 0.0 110.816 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.422 ' NH1' ' OE1' ' A' ' 27' ' ' GLN . 13.9 mmm180 -64.64 -47.77 77.28 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.214 0.53 . . . . 0.0 109.871 179.628 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.7 tp60 -58.23 -45.03 88.45 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.594 178.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.52 HD11 ' CB ' ' B' ' 95' ' ' SER . 8.1 tp -57.02 -34.07 67.81 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.823 178.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.467 ' HB2' ' HB3' ' A' ' 26' ' ' SER . 5.6 ttp180 -60.6 -43.0 97.91 Favored 'General case' 0 CA--C 1.518 -0.278 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 178.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.23 -38.27 79.59 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.407 179.08 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.508 ' HB2' ' NE2' ' B' ' 91' ' ' GLN . 27.8 p -62.07 -51.46 67.85 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.174 0.511 . . . . 0.0 110.431 179.474 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 1.07 HD11 HD12 ' A' ' 25' ' ' LEU . 37.8 mt -55.85 -42.88 72.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.273 179.399 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.37 -43.51 79.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.835 179.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.455 ' HB3' ' CB ' ' B' ' 88' ' ' ALA . 9.8 mtt180 -55.7 -49.07 74.0 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-O 121.261 0.553 . . . . 0.0 109.927 179.346 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.749 HG12 ' CD2' ' A' ' 44' ' ' PHE . 21.6 t -60.18 -33.81 54.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.662 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.762 HD12 ' O ' ' A' ' 15' ' ' LEU . 13.0 mm -70.06 -55.38 14.95 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.719 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.1 p -60.86 -49.28 78.11 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-O 120.922 0.391 . . . . 0.0 110.809 -179.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.556 HD13 ' HA ' ' B' ' 85' ' ' ALA . 11.1 mt -59.97 -32.28 49.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.079 179.358 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.776 ' CD1' HG23 ' A' ' 11' ' ' THR . 0.2 OUTLIER -72.51 -57.17 4.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.139 179.767 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.438 ' HG2' ' O ' ' A' ' 41' ' ' ILE . 4.7 pt20 -79.43 1.13 26.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.227 -178.229 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.451 ' CB ' ' CE1' ' B' ' 129' ' ' TYR . 0.1 OUTLIER -53.49 137.71 35.5 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.939 0.399 . . . . 0.0 110.78 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -56.36 -32.46 64.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.489 -179.552 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.864 ' O ' HD12 ' A' ' 48' ' ' LEU . 0.4 OUTLIER -79.73 -46.61 16.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.756 0.312 . . . . 0.0 111.09 -179.725 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.662 ' CE1' HD23 ' B' ' 126' ' ' LEU . 41.9 t80 -51.26 -53.5 34.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.598 -179.597 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -54.28 -40.86 68.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.821 0.344 . . . . 0.0 111.049 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.431 ' HB1' HG23 ' D' ' 132' ' ' ILE . . . -58.48 -45.1 89.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.057 0.456 . . . . 0.0 110.648 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.526 HD21 ' HB3' ' B' ' 128' ' ' LEU . 5.6 mt -61.94 -44.72 96.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.307 179.479 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.871 HG12 HD13 ' B' ' 125' ' ' LEU . 23.0 mt -51.46 -39.49 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.976 178.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -65.58 -39.53 91.74 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.104 179.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.682 HG22 ' HB2' ' A' ' 59' ' ' TYR . 4.9 mm -52.65 -40.85 35.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.842 179.502 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -50.28 -22.45 1.79 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.946 -179.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.421 ' O ' ' CG ' ' A' ' 58' ' ' PHE . 0.6 OUTLIER -44.66 -48.77 10.58 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.512 0.196 . . . . 0.0 111.525 -179.63 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.514 ' CD2' ' HB3' ' C' ' 65' ' ' ASP . 66.0 m-85 -156.24 44.57 0.42 Allowed 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.949 0.404 . . . . 0.0 111.637 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.682 ' HB2' HG22 ' A' ' 55' ' ' ILE . 42.4 m-85 -139.68 67.35 1.38 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.642 179.388 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.418 ' HB2' ' HB ' ' C' ' 62' ' ' THR . 3.1 mt-10 -53.72 93.21 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.976 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.632 HG23 HG21 ' B' ' 124' ' ' THR . 0.0 OUTLIER -78.21 96.87 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.868 0.366 . . . . 0.0 111.101 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.428 ' HB ' ' HB2' ' C' ' 60' ' ' GLU . 11.7 m -78.12 120.09 22.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.394 179.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.81 HD11 ' CE2' ' C' ' 59' ' ' TYR . 0.8 OUTLIER -92.38 135.43 34.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.04 -179.876 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.753 ' N ' HD23 ' A' ' 64' ' ' LEU . 0.1 OUTLIER -118.38 -25.25 6.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.078 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.52 ' HB2' ' CG ' ' C' ' 58' ' ' PHE . 33.8 t70 -104.3 8.82 36.08 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.383 179.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.446 ' HB3' ' HB3' ' A' ' 63' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.465 0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.416 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.285 0 N-CA-C 110.524 -1.03 . . . . 0.0 110.524 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.898 ' O ' HD12 ' B' ' 82' ' ' LEU . 0.1 OUTLIER -87.42 -34.95 18.56 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 114.504 -0.848 . . . . 0.0 109.415 179.139 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . 0.922 HD23 ' H ' ' B' ' 84' ' ' ALA . 0.0 OUTLIER -69.97 -55.49 9.49 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.046 -179.816 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.922 ' H ' HD23 ' B' ' 83' ' ' LEU . . . -64.34 -29.36 70.44 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.066 -0.515 . . . . 0.0 112.028 -178.094 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' ALA . . . . . 0.91 ' HB1' ' HB3' ' B' ' 126' ' ' LEU . . . -53.69 -24.67 15.31 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.914 0.388 . . . . 0.0 110.674 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -124.2 -45.29 1.98 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.011 -0.541 . . . . 0.0 109.788 178.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' ARG . . . . . 0.688 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 6.1 ttt-85 -57.69 -52.97 63.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.031 178.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . 0.738 ' HB3' ' O ' ' B' ' 84' ' ' ALA . . . -56.47 -43.83 79.98 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.32 -0.854 . . . . 0.0 111.193 -179.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' VAL . . . . . 0.49 ' CG1' ' HB3' ' B' ' 117' ' ' PHE . 21.5 t -59.25 -35.24 56.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.073 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 3.7 t -76.06 -29.66 58.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.813 -179.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 91' ' ' GLN . . . . . 0.617 ' NE2' ' HA ' ' B' ' 88' ' ' ALA . 11.7 mt-30 -66.45 -55.21 16.78 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-O 121.395 0.617 . . . . 0.0 109.511 179.597 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 92' ' ' VAL . . . . . 0.733 HG11 HD22 ' A' ' 18' ' ' LEU . 3.3 t -65.72 -28.31 43.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.278 179.246 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . 0.725 HD21 ' HA ' ' B' ' 114' ' ' HIS . 2.7 mt -67.09 -32.92 74.4 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.009 179.6 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -86.73 -39.49 15.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.762 0.315 . . . . 0.0 111.313 -179.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 95' ' ' SER . . . . . 0.52 ' CB ' HD11 ' A' ' 33' ' ' LEU . 0.8 OUTLIER -79.86 -17.88 52.11 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -179.293 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . 0.993 HD22 HD22 ' B' ' 110' ' ' LEU . 0.2 OUTLIER -39.47 -52.33 2.12 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -179.366 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 97' ' ' GLU . . . . . 0.405 ' HA ' ' CD1' ' B' ' 110' ' ' LEU . 70.4 mt-10 -68.33 -28.86 67.51 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.3 -179.466 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . 0.827 ' O ' ' HB3' ' B' ' 101' ' ' ALA . 0.1 OUTLIER -70.19 -34.4 72.89 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 177.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 99' ' ' ILE . . . . . 0.602 HG23 HG21 ' B' ' 103' ' ' THR . 62.1 mt -62.97 -49.97 81.48 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.822 0 CA-C-N 114.57 -1.195 . . . . 0.0 109.653 178.52 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . 0.745 ' HB2' HD11 ' B' ' 110' ' ' LEU . 2.2 t-160 -54.9 -34.39 63.04 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 178.08 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . 0.827 ' HB3' ' O ' ' B' ' 98' ' ' GLU . . . -56.21 -46.6 79.41 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 114.311 -1.313 . . . . 0.0 111.946 179.349 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' LEU . . . . . 0.661 HD12 HG23 ' B' ' 103' ' ' THR . 0.4 OUTLIER -117.43 30.28 7.39 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.516 -0.765 . . . . 0.0 112.72 -177.591 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' THR . . . . . 0.661 HG23 HD12 ' B' ' 102' ' ' LEU . 44.3 p -145.02 -31.12 0.42 Allowed 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 111.694 0.257 . . . . 0.0 111.694 179.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 3.0 t0 74.85 24.56 1.57 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.058 0.456 . . . . 0.0 110.511 -179.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 105' ' ' SER . . . . . 0.445 ' HB3' ' CZ ' ' A' ' 21' ' ' TYR . 4.0 m -62.31 -14.67 41.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.305 179.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . 0.423 ' CB ' ' O ' ' B' ' 105' ' ' SER . 4.0 t 80.96 121.82 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.945 0.402 . . . . 0.0 110.968 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -54.15 -29.0 43.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.984 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 22.1 mmtm -56.72 -54.14 49.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.066 0.46 . . . . 0.0 110.354 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 109' ' ' ASP . . . . . 0.636 ' O ' HD12 ' B' ' 113' ' ' LEU . 1.2 m-20 -62.03 -37.61 85.57 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.958 179.125 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 110' ' ' LEU . . . . . 0.993 HD22 HD22 ' B' ' 96' ' ' LEU . 31.2 mt -61.83 -42.47 99.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.267 179.297 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -60.18 -43.27 96.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.573 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 112' ' ' PHE . . . . . 0.542 ' O ' HG23 ' B' ' 116' ' ' VAL . 0.4 OUTLIER -58.84 -42.61 89.69 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.374 179.635 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 113' ' ' LEU . . . . . 0.696 HD11 ' CD1' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -72.18 -33.61 67.8 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.793 -179.864 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 114' ' ' HIS . . . . . 0.962 ' CD2' HD12 ' B' ' 96' ' ' LEU . 36.2 m170 -58.09 -35.9 72.09 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 178.1 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . 0.41 ' HA ' ' HB2' ' B' ' 118' ' ' GLN . 46.5 t -73.2 -40.13 65.01 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.034 178.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 116' ' ' VAL . . . . . 0.915 HG11 ' CB ' ' A' ' 14' ' ' ALA . 66.5 t -61.01 -23.21 29.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.727 178.492 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 117' ' ' PHE . . . . . 0.613 ' CZ ' HD11 ' A' ' 18' ' ' LEU . 6.2 m-30 -106.79 -17.23 14.27 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.684 -179.643 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 118' ' ' GLN . . . . . 0.437 ' NE2' HD11 ' B' ' 93' ' ' LEU . 0.0 OUTLIER -77.69 -30.49 51.92 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.716 0.294 . . . . 0.0 111.352 -179.471 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -48.27 139.06 9.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.918 0.39 . . . . 0.0 111.56 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 5.4 tm0? -80.28 -41.25 25.31 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.681 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 4.5 m170 -56.04 -34.3 65.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.471 179.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . 0.842 HD12 HD12 ' B' ' 125' ' ' LEU . 34.7 tp -56.2 -47.26 78.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.229 179.606 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 123' ' ' HIS . . . . . 0.996 ' HA ' HD12 ' B' ' 126' ' ' LEU . 14.9 m170 -56.67 -23.79 44.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.192 179.058 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 124' ' ' THR . . . . . 0.682 HG23 HD11 ' A' ' 63' ' ' LEU . 6.3 m -74.85 -39.15 61.76 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 178.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . 0.871 HD13 HG12 ' A' ' 53' ' ' ILE . 6.6 mt -70.64 -33.87 71.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.508 178.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . 0.996 HD12 ' HA ' ' B' ' 123' ' ' HIS . 6.1 mt -73.45 -50.38 21.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.633 179.527 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 127' ' ' ASP . . . . . 0.405 ' HA ' ' OD2' ' B' ' 130' ' ' ASP . 6.1 t0 -63.2 -40.29 97.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.713 179.699 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . 0.858 HD21 ' CD2' ' C' ' 59' ' ' TYR . 46.6 mt -72.89 -33.63 66.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.008 179.452 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 129' ' ' TYR . . . . . 0.451 ' CE1' ' CB ' ' A' ' 46' ' ' SER . 11.4 t80 -56.04 -47.04 78.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.119 179.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 130' ' ' ASP . . . . . 0.866 ' OD1' HD22 ' B' ' 82' ' ' LEU . 2.8 p30 -74.79 -34.6 62.44 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.251 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.98 -54.24 45.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.443 -179.334 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 132' ' ' ILE . . . . . 0.887 HG23 ' HB1' ' C' ' 51' ' ' ALA . 1.6 mt -73.59 -37.24 49.43 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 CA-C-O 120.963 0.411 . . . . 0.0 110.765 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 133' ' ' ASN . . . . . 0.724 ' HB2' HD23 ' A' ' 48' ' ' LEU . 11.5 t-20 -68.03 -25.79 65.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.966 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 134' ' ' THR . . . . . 0.576 HG22 ' O ' ' B' ' 134' ' ' THR . 85.1 m -108.75 8.32 26.75 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.203 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 135' ' ' LYS . . . . . 0.452 ' HG3' ' N ' ' B' ' 136' ' ' SER . 0.0 OUTLIER -82.98 -55.04 4.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.909 0.385 . . . . 0.0 110.53 -179.842 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . 0.452 ' N ' ' HG3' ' B' ' 135' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--N 1.327 -0.411 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.921 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 7' ' ' ARG . . . . . 0.454 ' O ' HG23 ' C' ' 11' ' ' THR . 14.4 ttm105 . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.94 -42.79 99.92 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 121.216 0.531 . . . . 0.0 109.661 178.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 52.6 mm-40 -75.59 -32.13 60.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.163 179.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -75.12 -29.91 60.68 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.388 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 11' ' ' THR . . . . . 0.454 HG23 ' O ' ' C' ' 7' ' ' ARG . 6.2 p -72.35 -47.98 45.35 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.352 179.635 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 12' ' ' GLN . . . . . 0.492 ' HA ' HD23 ' C' ' 15' ' ' LEU . 0.9 OUTLIER -63.78 -36.36 83.64 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 120.874 -0.331 . . . . 0.0 110.354 179.637 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 5.4 ttt180 -73.32 -25.89 60.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.082 179.128 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 14' ' ' ALA . . . . . 0.932 ' CB ' HG11 ' D' ' 116' ' ' VAL . . . -78.61 -54.94 5.59 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 178.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 15' ' ' LEU . . . . . 0.796 ' O ' HD12 ' C' ' 41' ' ' ILE . 0.3 OUTLIER -62.88 -28.68 70.21 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.82 179.371 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 16' ' ' HIS . . . . . . . . . . . . . 20.1 t60 -73.34 -44.26 59.14 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 178.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . 0.792 HD22 ' CE1' ' C' ' 21' ' ' TYR . 2.5 mt -61.89 -45.41 93.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.904 179.185 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . 0.753 ' HB3' HD11 ' C' ' 41' ' ' ILE . 10.5 mt -58.76 -40.39 83.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.41 179.528 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.54 -47.62 81.53 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.734 179.662 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -69.18 -32.71 72.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.831 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 21' ' ' TYR . . . . . 0.792 ' CE1' HD22 ' C' ' 17' ' ' LEU . 11.6 m-30 -65.35 -47.9 74.87 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.873 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 22' ' ' ARG . . . . . 0.503 ' HA ' HD12 ' C' ' 37' ' ' ILE . 4.1 ptm180 -59.98 -43.2 95.28 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-O 120.87 0.367 . . . . 0.0 110.608 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.26 -40.2 73.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.359 179.266 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 24' ' ' LYS . . . . . 0.478 ' O ' HG22 ' D' ' 103' ' ' THR . 6.9 ptmt -98.96 6.16 46.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.549 179.595 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 25' ' ' LEU . . . . . 0.95 HD12 HD11 ' C' ' 37' ' ' ILE . 0.4 OUTLIER -94.44 -67.76 0.84 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.931 0.396 . . . . 0.0 111.099 -179.841 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . 0.419 ' HB3' ' HB2' ' C' ' 34' ' ' ARG . 1.6 p -59.79 -160.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.935 -179.462 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 27' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 59.28 30.05 19.72 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.567 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 28' ' ' THR . . . . . 0.671 HG23 ' H ' ' C' ' 29' ' ' GLU . 4.5 t -152.14 -59.3 0.15 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.99 -179.546 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 29' ' ' GLU . . . . . 0.671 ' H ' HG23 ' C' ' 28' ' ' THR . 18.4 pt-20 -176.67 28.36 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.263 -0.88 . . . . 0.0 111.305 -179.378 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -145.52 49.41 1.24 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.916 0.389 . . . . 0.0 111.007 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.23 -55.15 27.35 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.406 0.622 . . . . 0.0 110.562 179.735 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -52.95 -47.88 67.77 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.622 178.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 33' ' ' LEU . . . . . 0.604 HD11 ' CB ' ' D' ' 95' ' ' SER . 14.9 tp -55.95 -32.26 63.68 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.826 178.698 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 34' ' ' ARG . . . . . 0.419 ' HB2' ' HB3' ' C' ' 26' ' ' SER . 7.6 ttp180 -60.77 -43.12 98.44 Favored 'General case' 0 CA--C 1.518 -0.257 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 178.605 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 35' ' ' SER . . . . . 0.536 ' O ' ' HG3' ' C' ' 38' ' ' GLU . 3.5 t -60.99 -34.1 74.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.388 -0.823 . . . . 0.0 109.813 178.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 36' ' ' SER . . . . . 0.552 ' O ' ' HB2' ' C' ' 39' ' ' ARG . 0.9 OUTLIER -62.74 -46.07 89.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.638 179.431 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 37' ' ' ILE . . . . . 0.95 HD11 HD12 ' C' ' 25' ' ' LEU . 44.7 mt -60.02 -49.77 82.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.074 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 38' ' ' GLU . . . . . 0.536 ' HG3' ' O ' ' C' ' 35' ' ' SER . 6.2 pt-20 -58.74 -31.42 68.31 Favored 'General case' 0 CA--C 1.519 -0.234 0 N-CA-C 110.175 -0.306 . . . . 0.0 110.175 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 39' ' ' ARG . . . . . 0.552 ' HB2' ' O ' ' C' ' 36' ' ' SER . 7.1 mtt180 -57.04 -54.52 45.86 Favored 'General case' 0 CA--C 1.514 -0.413 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 178.061 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . 0.534 ' O ' ' HB2' ' C' ' 44' ' ' PHE . 41.2 t -60.76 -30.9 48.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 114.875 -1.057 . . . . 0.0 110.386 179.221 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 41' ' ' ILE . . . . . 0.796 HD12 ' O ' ' C' ' 15' ' ' LEU . 4.3 mm -68.82 -51.4 45.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.778 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 13.6 t -68.12 -47.03 69.27 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-O 120.823 0.344 . . . . 0.0 111.195 -179.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 43' ' ' ILE . . . . . . . . . . . . . 6.0 mt -59.64 -33.69 52.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.395 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 44' ' ' PHE . . . . . 0.744 ' HB3' HD22 ' C' ' 15' ' ' LEU . 2.8 m-85 -72.63 -57.18 4.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.982 -0.554 . . . . 0.0 112.019 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 45' ' ' GLN . . . . . 0.419 ' HG2' ' O ' ' C' ' 41' ' ' ILE . 4.7 pt20 -77.65 -2.97 38.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.263 -178.126 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.19 151.77 1.95 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.917 0.389 . . . . 0.0 111.309 -179.718 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.89 -39.41 90.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.107 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . 0.703 HD12 ' HA ' ' D' ' 129' ' ' TYR . 0.4 OUTLIER -71.63 -42.42 67.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.147 179.853 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 49' ' ' PHE . . . . . 0.635 ' HA ' HD11 ' C' ' 52' ' ' LEU . 12.1 t80 -50.71 -56.28 12.69 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.128 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -56.7 -22.71 36.97 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.981 0.42 . . . . 0.0 110.389 179.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 51' ' ' ALA . . . . . 0.887 ' HB1' HG23 ' B' ' 132' ' ' ILE . . . -68.16 -53.48 24.76 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.982 -0.553 . . . . 0.0 112.482 -179.33 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 52' ' ' LEU . . . . . 0.992 ' H ' HD13 ' C' ' 52' ' ' LEU . 0.0 OUTLIER -68.38 -30.5 69.45 Favored 'General case' 0 N--CA 1.461 0.111 0 C-N-CA 119.733 -0.787 . . . . 0.0 111.182 -179.406 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 53' ' ' ILE . . . . . 0.702 ' N ' HD22 ' C' ' 52' ' ' LEU . 23.5 mt -62.61 -43.48 98.54 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 178.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.84 -39.03 93.11 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.64 178.717 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 55' ' ' ILE . . . . . 0.61 HG22 ' HB2' ' C' ' 59' ' ' TYR . 71.3 mt -61.41 -45.36 98.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.338 179.166 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 56' ' ' GLN . . . . . 0.511 ' NE2' HD21 ' D' ' 125' ' ' LEU . 1.4 mt-30 -50.96 -23.25 2.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.554 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 57' ' ' GLU . . . . . 0.421 ' O ' ' CD2' ' C' ' 58' ' ' PHE . 6.2 mm-40 -44.48 -37.74 3.67 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 120.8 0.334 . . . . 0.0 111.393 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 58' ' ' PHE . . . . . 0.52 ' CG ' ' HB2' ' A' ' 65' ' ' ASP . 74.3 m-85 -156.64 31.58 0.32 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.389 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 59' ' ' TYR . . . . . 0.858 ' CD2' HD21 ' B' ' 128' ' ' LEU . 19.6 m-85 -135.18 71.89 1.44 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.618 179.667 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 60' ' ' GLU . . . . . 0.428 ' HB2' ' HB ' ' A' ' 62' ' ' THR . 1.7 mm-40 -57.73 100.45 0.05 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.849 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 61' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -72.39 96.93 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 121.013 0.435 . . . . 0.0 110.724 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 62' ' ' THR . . . . . 0.427 HG22 ' O ' ' C' ' 62' ' ' THR . 16.3 m -83.24 87.94 6.94 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.008 -179.596 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 63' ' ' LEU . . . . . 0.638 HD12 ' CE1' ' A' ' 59' ' ' TYR . 1.1 tt -65.25 144.82 56.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.202 179.411 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 64' ' ' LEU . . . . . 0.607 HD23 ' N ' ' C' ' 64' ' ' LEU . 0.3 OUTLIER -139.07 -14.06 1.18 Allowed 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 -178.75 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 65' ' ' ASP . . . . . 0.514 ' HB3' ' CD2' ' A' ' 58' ' ' PHE . 9.6 t0 -142.9 -40.45 0.32 Allowed 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 113.029 0.752 . . . . 0.0 113.029 -179.243 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 66' ' ' ASN . . . . . 0.51 ' HB2' HD21 ' C' ' 63' ' ' LEU . 3.6 m-80 . . . . . 0 N--CA 1.468 0.439 0 CA-C-O 120.879 0.371 . . . . 0.0 111.065 -179.371 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 82' ' ' LEU . . . . . 0.827 HD23 ' O ' ' D' ' 82' ' ' LEU . 9.4 tt -121.91 -16.62 7.55 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 122.654 0.382 . . . . 0.0 111.415 -179.125 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 83' ' ' LEU . . . . . 0.956 HD23 ' H ' ' D' ' 84' ' ' ALA . 0.4 OUTLIER -81.98 -43.21 18.33 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-O 120.873 0.368 . . . . 0.0 111.056 -179.179 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 84' ' ' ALA . . . . . 0.956 ' H ' HD23 ' D' ' 83' ' ' LEU . . . -70.14 -24.03 63.11 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.696 -179.302 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 85' ' ' ALA . . . . . 0.92 ' HB1' ' CB ' ' D' ' 126' ' ' LEU . . . -53.34 -27.25 22.44 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.204 0.526 . . . . 0.0 110.272 179.155 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 86' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -122.39 -41.51 2.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.529 -0.759 . . . . 0.0 109.713 178.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 87' ' ' ARG . . . . . 0.644 ' HB3' ' O ' ' D' ' 83' ' ' LEU . 17.3 ttt180 -62.01 -48.72 79.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.071 179.044 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 88' ' ' ALA . . . . . 0.771 ' HB3' ' O ' ' D' ' 84' ' ' ALA . . . -66.53 -42.5 87.14 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.116 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 89' ' ' VAL . . . . . 0.726 HG13 ' CD1' ' D' ' 117' ' ' PHE . 45.2 t -66.4 -41.99 89.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.02 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 12.1 t -75.54 -38.97 58.93 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.723 -179.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 91' ' ' GLN . . . . . 0.436 ' NE2' ' HA ' ' D' ' 88' ' ' ALA . 5.5 pt20 -67.61 -50.36 58.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.059 0.456 . . . . 0.0 109.932 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 92' ' ' VAL . . . . . 0.653 HG23 ' O ' ' D' ' 88' ' ' ALA . 44.0 t -65.45 -27.71 42.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.378 178.098 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 93' ' ' LEU . . . . . 0.652 HD21 ' HA ' ' D' ' 114' ' ' HIS . 2.1 mt -61.72 -45.69 92.86 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.197 179.409 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -76.22 -24.77 54.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.903 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 95' ' ' SER . . . . . 0.604 ' CB ' HD11 ' C' ' 33' ' ' LEU . 13.6 p -77.75 -28.27 50.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.583 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 96' ' ' LEU . . . . . 0.838 HD22 HD22 ' D' ' 110' ' ' LEU . 0.2 OUTLIER -38.36 -52.57 1.53 Allowed 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -179.218 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -70.14 -29.86 66.88 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.957 0.408 . . . . 0.0 111.151 -179.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 98' ' ' GLU . . . . . 0.821 ' O ' ' HB3' ' D' ' 101' ' ' ALA . 0.0 OUTLIER -69.63 -33.07 72.12 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 177.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 99' ' ' ILE . . . . . 0.507 HG23 HG21 ' D' ' 103' ' ' THR . 47.3 mt -64.12 -49.41 81.5 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.834 0 CA-C-N 114.605 -1.179 . . . . 0.0 109.678 178.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 100' ' ' HIS . . . . . 0.865 ' HB2' HD11 ' D' ' 110' ' ' LEU . 1.8 t-160 -55.63 -33.17 63.77 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 178.057 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 101' ' ' ALA . . . . . 0.821 ' HB3' ' O ' ' D' ' 98' ' ' GLU . . . -57.51 -46.57 83.63 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 114.403 -1.272 . . . . 0.0 111.949 179.345 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 102' ' ' LEU . . . . . 0.684 HD12 HG23 ' D' ' 103' ' ' THR . 0.4 OUTLIER -117.25 30.8 7.1 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -177.438 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 103' ' ' THR . . . . . 0.684 HG23 HD12 ' D' ' 102' ' ' LEU . 37.9 p -147.33 -33.24 0.28 Allowed 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.85 -0.34 . . . . 0.0 111.453 179.422 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 68.26 28.6 6.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.936 0.398 . . . . 0.0 110.447 -179.59 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 105' ' ' SER . . . . . 0.421 ' HB3' ' CE1' ' C' ' 21' ' ' TYR . 12.2 m -52.19 -77.36 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.903 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 106' ' ' SER . . . . . . . . . . . . . 1.4 m 173.55 106.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.573 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -49.82 -37.97 32.72 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.882 0.372 . . . . 0.0 110.722 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.44 -45.94 81.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.857 179.161 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 109' ' ' ASP . . . . . 0.593 ' O ' HD12 ' D' ' 113' ' ' LEU . 5.4 m-20 -62.44 -37.3 85.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.88 179.121 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 110' ' ' LEU . . . . . 0.865 HD11 ' HB2' ' D' ' 100' ' ' HIS . 14.1 mt -59.04 -47.48 85.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.153 179.312 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 111' ' ' ASP . . . . . 0.465 ' HA ' ' HD2' ' D' ' 114' ' ' HIS . 2.3 m-20 -59.19 -40.32 85.35 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.749 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 112' ' ' PHE . . . . . 0.707 ' O ' HG23 ' D' ' 116' ' ' VAL . 2.8 t80 -58.51 -42.01 86.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.517 179.749 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 113' ' ' LEU . . . . . 0.682 ' HB2' HD11 ' D' ' 96' ' ' LEU . 0.5 OUTLIER -72.09 -32.1 66.71 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.006 -179.832 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 114' ' ' HIS . . . . . 0.652 ' HA ' HD21 ' D' ' 93' ' ' LEU . 0.0 OUTLIER -59.7 -36.51 76.66 Favored 'General case' 0 CA--C 1.516 -0.332 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 178.427 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.25 -35.95 63.83 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 178.449 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 116' ' ' VAL . . . . . 0.932 HG11 ' CB ' ' C' ' 14' ' ' ALA . 72.7 t -61.79 -23.38 31.0 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.241 178.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 117' ' ' PHE . . . . . 0.726 ' CD1' HG13 ' D' ' 89' ' ' VAL . 38.6 m-85 -105.98 -28.65 10.43 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.412 -179.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 118' ' ' GLN . . . . . 0.427 ' NE2' HD11 ' D' ' 93' ' ' LEU . 0.0 OUTLIER -67.56 -28.41 67.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.37 -179.427 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -44.45 123.7 3.71 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.635 -179.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 120' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -64.54 -48.78 73.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.719 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 121' ' ' HIS . . . . . 0.404 ' O ' ' HG ' ' D' ' 125' ' ' LEU . 16.4 m170 -55.9 -34.3 65.43 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.681 179.684 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 122' ' ' LEU . . . . . 0.857 HD22 ' O ' ' D' ' 116' ' ' VAL . 36.6 tp -56.0 -47.95 76.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.31 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 123' ' ' HIS . . . . . 0.662 ' HA ' HD12 ' D' ' 126' ' ' LEU . 12.8 m170 -53.88 -26.36 24.44 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.059 0.457 . . . . 0.0 110.139 178.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 124' ' ' THR . . . . . 0.532 HG22 HD11 ' D' ' 128' ' ' LEU . 10.5 m -78.51 -30.49 47.16 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.526 178.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 125' ' ' LEU . . . . . 0.794 HD12 HD12 ' D' ' 122' ' ' LEU . 62.5 mt -66.45 -47.16 74.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.179 -0.919 . . . . 0.0 111.133 179.7 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 126' ' ' LEU . . . . . 0.92 ' CB ' ' HB1' ' D' ' 85' ' ' ALA . 0.1 OUTLIER -73.11 -37.58 66.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.902 0.382 . . . . 0.0 110.797 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 127' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -58.99 -49.77 76.62 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.103 0.478 . . . . 0.0 110.182 179.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 128' ' ' LEU . . . . . 0.663 HD21 ' CE1' ' A' ' 59' ' ' TYR . 12.4 mt -71.0 -28.81 64.69 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.11 179.118 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 129' ' ' TYR . . . . . 0.703 ' HA ' HD12 ' C' ' 48' ' ' LEU . 13.1 t80 -54.87 -52.93 61.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.911 -179.383 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 130' ' ' ASP . . . . . 0.448 ' OD2' ' HB2' ' D' ' 82' ' ' LEU . 4.0 t70 -77.51 -31.27 53.37 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.08 179.137 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.68 -51.99 63.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.081 -179.459 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 132' ' ' ILE . . . . . 0.431 HG23 ' HB1' ' A' ' 51' ' ' ALA . 3.1 mt -78.57 -38.44 22.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.968 0.414 . . . . 0.0 111.149 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 133' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -67.48 -26.31 66.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.367 -179.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 134' ' ' THR . . . . . . . . . . . . . 88.7 m -88.65 -39.47 14.02 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.271 -179.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.7 -32.63 73.41 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.599 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 136' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.237 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.0 tttm -64.13 -37.82 88.85 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 121.111 0.481 . . . . 0.0 109.739 179.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 59.3 mm-40 -77.46 -27.21 51.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.099 178.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.461 ' HB3' HG22 ' B' ' 116' ' ' VAL . 12.7 m-20 -79.25 -33.07 43.9 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.487 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.4 p -74.85 -40.36 61.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.568 179.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.463 ' HA ' HD23 ' A' ' 15' ' ' LEU . 0.7 OUTLIER -70.98 -36.55 72.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.167 179.341 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.85 -26.4 60.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.864 179.03 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.943 ' CB ' HG11 ' B' ' 116' ' ' VAL . . . -78.41 -54.73 5.86 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 178.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.722 HD22 ' HB3' ' A' ' 44' ' ' PHE . 0.3 OUTLIER -61.11 -25.18 66.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.478 179.052 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.9 m170 -73.42 -47.02 45.06 Favored 'General case' 0 CA--C 1.518 -0.25 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 178.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.933 HD22 ' CE1' ' A' ' 21' ' ' TYR . 3.5 mt -62.34 -33.43 74.69 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.635 -0.712 . . . . 0.0 109.564 178.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.857 ' CD2' HG11 ' B' ' 92' ' ' VAL . 27.5 mt -63.84 -50.19 69.87 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.024 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.418 ' O ' ' HG2' ' A' ' 22' ' ' ARG . 0.2 OUTLIER -61.35 -34.32 75.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.146 -179.815 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.423 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 0.5 OUTLIER -74.38 -41.38 61.07 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.243 179.821 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.933 ' CE1' HD22 ' A' ' 17' ' ' LEU . 10.2 m-30 -65.31 -49.26 70.14 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.188 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.432 ' HG3' ' N ' ' A' ' 23' ' ' SER . 3.4 ptm180 -55.85 -40.76 73.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.961 0.41 . . . . 0.0 110.441 179.248 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.432 ' N ' ' HG3' ' A' ' 22' ' ' ARG . 0.2 OUTLIER -61.33 -34.24 74.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.684 179.457 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -115.4 21.58 13.95 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.879 0.371 . . . . 0.0 111.536 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.717 ' CD1' HD11 ' A' ' 37' ' ' ILE . 0.0 OUTLIER -112.18 -53.5 2.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.9 -179.77 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.539 ' CB ' ' HB2' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -71.94 -19.26 61.93 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.999 -178.929 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.438 ' OE1' ' NH1' ' A' ' 31' ' ' ARG . 0.2 OUTLIER -72.71 58.0 0.43 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.919 0.39 . . . . 0.0 110.784 -179.68 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.622 HG23 ' N ' ' A' ' 29' ' ' GLU . 8.5 t -175.8 -57.21 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.682 -179.744 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.622 ' N ' HG23 ' A' ' 28' ' ' THR . 16.8 pt-20 -173.19 29.33 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.907 -179.123 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.466 ' O ' ' HB2' ' A' ' 26' ' ' SER . 1.2 m-20 -139.13 44.56 2.01 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.938 0.399 . . . . 0.0 111.41 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.494 ' HA ' ' HB2' ' A' ' 26' ' ' SER . 17.0 mmm180 -54.55 -53.14 58.39 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 121.135 0.493 . . . . 0.0 110.671 179.726 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -55.62 -41.89 74.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.969 179.252 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.454 HD11 ' CB ' ' B' ' 95' ' ' SER . 4.2 tp -57.31 -32.63 66.87 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.245 179.147 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.582 ' HA ' HD12 ' A' ' 37' ' ' ILE . 4.2 ttp180 -63.37 -47.68 81.07 Favored 'General case' 0 CA--C 1.515 -0.38 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 178.592 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.2 m -54.71 -36.5 64.78 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.844 -1.071 . . . . 0.0 111.073 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.524 ' HB3' ' NE2' ' B' ' 91' ' ' GLN . 1.0 OUTLIER -70.57 -48.24 56.26 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.981 0.42 . . . . 0.0 110.105 179.507 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.72 HG23 HD22 ' A' ' 18' ' ' LEU . 9.1 mt -60.61 -36.45 70.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.302 0.572 . . . . 0.0 109.823 178.64 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.402 ' HG2' ' NE ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -64.82 -52.18 58.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.006 -0.997 . . . . 0.0 112.168 -179.334 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.428 ' HG2' ' O ' ' A' ' 36' ' ' SER . 5.9 ptp180 -55.76 -38.57 70.03 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.527 -0.469 . . . . 0.0 109.937 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.518 HG12 ' CD1' ' A' ' 44' ' ' PHE . 95.5 t -61.98 -41.61 91.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 178.3 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.689 HD12 ' O ' ' A' ' 15' ' ' LEU . 9.7 mm -54.8 -54.72 20.55 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.481 179.595 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 18.5 p -60.86 -47.84 84.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.854 0.359 . . . . 0.0 110.724 -179.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.737 HG23 ' CE2' ' B' ' 129' ' ' TYR . 13.2 mt -59.68 -34.82 56.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.082 179.17 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.722 ' HB3' HD22 ' A' ' 15' ' ' LEU . 1.5 m-85 -72.43 -56.69 5.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.928 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -79.88 -1.36 38.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.752 -178.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.489 ' CB ' ' CE1' ' B' ' 129' ' ' TYR . 0.4 OUTLIER -49.19 136.73 14.76 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.828 0.347 . . . . 0.0 111.086 -179.893 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -55.52 -34.46 64.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.108 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.764 ' O ' HD12 ' A' ' 48' ' ' LEU . 2.0 tp -79.48 -45.04 20.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.959 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.609 ' CE1' HD23 ' B' ' 126' ' ' LEU . 55.0 t80 -51.04 -52.24 45.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.157 -179.635 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -58.25 -34.95 71.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.901 0.381 . . . . 0.0 110.507 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' A' ' 48' ' ' LEU . . . -59.72 -46.21 89.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.682 179.622 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.434 HD13 ' O ' ' B' ' 125' ' ' LEU . 3.5 mt -61.34 -44.85 96.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.289 179.536 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.803 HG12 HD13 ' B' ' 125' ' ' LEU . 56.3 mt -53.46 -40.27 40.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.665 179.505 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.99 -41.26 91.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.46 179.577 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.766 HG22 ' HB2' ' A' ' 59' ' ' TYR . 55.5 mt -58.77 -34.05 50.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.873 179.643 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -54.03 -20.98 7.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.843 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.411 ' O ' ' CG ' ' A' ' 58' ' ' PHE . 0.2 OUTLIER -46.7 -38.18 9.48 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-O 120.655 0.264 . . . . 0.0 111.493 -179.729 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.411 ' CG ' ' O ' ' A' ' 57' ' ' GLU . 94.5 m-85 -157.52 38.8 0.28 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.65 -179.69 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.915 ' CD2' HD21 ' D' ' 128' ' ' LEU . 57.4 m-85 -139.16 75.42 1.51 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.747 179.653 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.433 ' HG3' HD22 ' C' ' 64' ' ' LEU . 2.8 mt-10 -65.37 90.72 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.662 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.648 HG23 HG21 ' B' ' 124' ' ' THR . 0.0 OUTLIER -72.62 104.51 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.958 0.409 . . . . 0.0 111.015 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.2 m -88.86 107.81 19.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.652 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.795 HD21 ' HB3' ' A' ' 66' ' ' ASN . 0.1 OUTLIER -77.1 142.09 39.93 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.49 179.689 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.697 ' N ' HD23 ' A' ' 64' ' ' LEU . 0.1 OUTLIER -121.73 -24.51 5.26 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -179.609 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -177.69 -20.32 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.795 ' HB3' HD21 ' A' ' 63' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.466 0.364 0 CA-C-O 120.937 0.398 . . . . 0.0 111.482 -179.536 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.648 0 N-CA-C 110.706 -0.958 . . . . 0.0 110.706 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.834 ' N ' HD23 ' B' ' 82' ' ' LEU . 0.3 OUTLIER -73.17 -33.29 65.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.543 0.687 . . . . 0.0 109.894 178.855 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . 1.147 HD23 ' H ' ' B' ' 84' ' ' ALA . 0.0 OUTLIER -50.33 -57.42 7.94 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 114.858 -1.064 . . . . 0.0 112.458 -178.537 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 1.147 ' H ' HD23 ' B' ' 83' ' ' LEU . . . -69.37 -26.46 64.68 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.789 -178.549 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 85' ' ' ALA . . . . . 0.934 ' HB1' ' HB3' ' B' ' 126' ' ' LEU . . . -53.12 -25.36 12.93 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.073 0.463 . . . . 0.0 110.245 179.682 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.36 -44.51 1.71 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.02 178.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 87' ' ' ARG . . . . . 0.806 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 9.5 ttt85 -57.67 -48.44 79.49 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.092 179.045 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . 0.724 ' HB3' ' O ' ' B' ' 84' ' ' ALA . . . -57.44 -47.77 80.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.24 -179.485 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 89' ' ' VAL . . . . . 0.502 HG12 ' HB3' ' B' ' 117' ' ' PHE . 31.3 t -62.94 -29.77 47.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.825 179.562 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.18 -25.88 55.63 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.214 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 91' ' ' GLN . . . . . 0.603 ' HG3' ' O ' ' B' ' 87' ' ' ARG . 1.8 mt-30 -72.19 -50.04 30.78 Favored 'General case' 0 CA--C 1.517 -0.326 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 179.387 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 92' ' ' VAL . . . . . 0.857 HG11 ' CD2' ' A' ' 18' ' ' LEU . 2.7 t -68.27 -27.92 38.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.971 178.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . 0.721 HD21 ' HA ' ' B' ' 114' ' ' HIS . 3.5 mt -67.91 -39.14 83.61 Favored 'General case' 0 C--O 1.231 0.096 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.166 179.581 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -79.25 -33.16 43.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.017 0.437 . . . . 0.0 110.638 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 95' ' ' SER . . . . . 0.454 ' CB ' HD11 ' A' ' 33' ' ' LEU . 0.5 OUTLIER -79.15 -20.4 48.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.273 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . 0.867 HD13 ' HB3' ' B' ' 110' ' ' LEU . 0.1 OUTLIER -38.2 -52.15 1.46 Allowed 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -179.552 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -68.17 -31.06 70.34 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 -179.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . 0.761 ' O ' ' HB3' ' B' ' 101' ' ' ALA . 0.0 OUTLIER -69.92 -35.75 74.8 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.12 -1.066 . . . . 0.0 108.12 178.111 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 99' ' ' ILE . . . . . 0.506 HG12 ' CD1' ' A' ' 25' ' ' LEU . 34.7 mt -59.25 -47.69 89.51 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.705 0 CA-C-N 114.481 -1.236 . . . . 0.0 109.844 178.519 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . 0.863 ' HB2' HD11 ' B' ' 110' ' ' LEU . 7.4 t-160 -56.04 -41.18 74.62 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-O 122.025 0.917 . . . . 0.0 108.594 178.01 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . 0.761 ' HB3' ' O ' ' B' ' 98' ' ' GLU . . . -51.04 -41.79 60.09 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 113.966 -1.47 . . . . 0.0 111.826 179.368 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 102' ' ' LEU . . . . . 0.65 HD13 HD23 ' A' ' 25' ' ' LEU . 0.4 OUTLIER -122.91 35.71 4.82 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 -177.436 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 103' ' ' THR . . . . . 0.628 HG23 HD12 ' B' ' 102' ' ' LEU . 43.7 p -153.5 -35.45 0.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.762 179.395 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 24.4 t0 74.01 27.35 1.62 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.066 0.46 . . . . 0.0 110.333 -179.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 105' ' ' SER . . . . . 0.413 ' O ' ' CB ' ' B' ' 106' ' ' SER . 4.0 m -60.27 -16.02 30.25 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.471 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . 0.413 ' CB ' ' O ' ' B' ' 105' ' ' SER . 0.7 OUTLIER 80.03 127.74 0.05 OUTLIER 'General case' 0 C--O 1.232 0.167 0 CA-C-O 120.871 0.367 . . . . 0.0 110.691 -179.786 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . 0.756 ' HA ' HD12 ' B' ' 110' ' ' LEU . 0.3 OUTLIER -56.34 -22.53 31.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.262 -179.746 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.95 -55.23 35.43 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.016 0.436 . . . . 0.0 110.171 179.587 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 109' ' ' ASP . . . . . 0.608 ' O ' HD12 ' B' ' 113' ' ' LEU . 28.9 m-20 -63.39 -39.81 95.51 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.644 178.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 110' ' ' LEU . . . . . 0.867 ' HB3' HD13 ' B' ' 96' ' ' LEU . 59.6 mt -60.52 -41.05 93.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.272 179.233 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 111' ' ' ASP . . . . . 0.49 ' HA ' ' HD2' ' B' ' 114' ' ' HIS . 16.2 t70 -61.24 -44.98 96.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.914 -179.555 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 112' ' ' PHE . . . . . 0.688 ' O ' HG23 ' B' ' 116' ' ' VAL . 5.6 t80 -58.69 -39.86 81.94 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.628 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 113' ' ' LEU . . . . . 0.714 HD11 ' CD1' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -75.35 -27.97 59.41 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.055 -179.737 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 114' ' ' HIS . . . . . 0.721 ' HA ' HD21 ' B' ' 93' ' ' LEU . 0.0 OUTLIER -64.41 -35.84 82.2 Favored 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 178.386 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 3.4 m -75.7 -36.91 59.89 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 178.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 116' ' ' VAL . . . . . 0.943 HG11 ' CB ' ' A' ' 14' ' ' ALA . 54.5 t -63.76 -23.48 33.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.83 178.46 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 117' ' ' PHE . . . . . 0.599 ' CZ ' HD11 ' A' ' 18' ' ' LEU . 20.9 m-85 -101.11 -31.95 10.81 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.365 -179.744 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 118' ' ' GLN . . . . . 0.517 ' NE2' HD11 ' B' ' 93' ' ' LEU . 0.0 OUTLIER -67.65 -28.13 67.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.456 -179.329 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -44.02 114.94 0.74 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.697 -179.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.85 -44.99 95.72 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.54 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 30.9 m80 -56.46 -34.36 66.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.479 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . 0.872 HD12 HD12 ' B' ' 125' ' ' LEU . 37.5 tp -56.1 -48.47 76.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.304 179.658 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 123' ' ' HIS . . . . . 0.988 ' HA ' HD12 ' B' ' 126' ' ' LEU . 50.6 m170 -53.6 -27.26 25.73 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.88 178.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 124' ' ' THR . . . . . 0.648 HG21 HG23 ' A' ' 61' ' ' VAL . 1.7 m -73.84 -37.22 64.88 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.335 178.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . 0.872 HD12 HD12 ' B' ' 122' ' ' LEU . 3.1 mt -73.01 -32.4 65.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.586 178.627 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . 0.988 HD12 ' HA ' ' B' ' 123' ' ' HIS . 5.1 mt -72.99 -46.53 51.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.143 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.74 -49.97 64.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.085 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . 0.894 HD21 ' CD2' ' C' ' 59' ' ' TYR . 32.8 mt -60.87 -37.9 83.73 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.564 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 129' ' ' TYR . . . . . 0.737 ' CE2' HG23 ' A' ' 43' ' ' ILE . 0.5 OUTLIER -59.51 -50.9 72.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.079 -179.673 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 130' ' ' ASP . . . . . 0.857 ' OD2' ' HB2' ' B' ' 85' ' ' ALA . 27.7 m-20 -75.36 -17.23 60.28 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.687 -179.433 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.22 -52.08 11.77 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.722 0.296 . . . . 0.0 110.8 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 132' ' ' ILE . . . . . 0.693 HD12 ' O ' ' B' ' 128' ' ' LEU . 2.5 mt -71.16 -35.52 58.78 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 CA-C-O 120.925 0.393 . . . . 0.0 110.546 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 133' ' ' ASN . . . . . 0.469 ' HB2' HD23 ' A' ' 48' ' ' LEU . 62.3 t30 -60.84 -25.1 66.38 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.977 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 54.5 m -84.43 -26.32 28.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.698 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 135' ' ' LYS . . . . . 0.47 ' HG2' ' HB2' ' C' ' 51' ' ' ALA . 0.0 OUTLIER -92.31 -30.71 15.69 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.501 179.932 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 19.3 m . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.101 -179.826 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.232 0 CA-C-O 120.527 0.203 . . . . 0.0 110.48 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 8' ' ' LYS . . . . . 0.443 ' HG2' HG21 ' C' ' 53' ' ' ILE . 17.1 mttt -66.65 -36.9 83.66 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 121.24 0.543 . . . . 0.0 109.589 178.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 24.2 mm-40 -78.13 -28.32 48.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.905 178.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -80.82 -30.71 35.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.198 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 3.1 p -73.08 -42.25 63.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.19 179.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 12' ' ' GLN . . . . . 0.459 ' HA ' HD23 ' C' ' 15' ' ' LEU . 0.3 OUTLIER -68.22 -43.39 78.07 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.063 179.265 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 2.9 ttp180 -67.33 -25.58 66.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.987 179.009 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 14' ' ' ALA . . . . . 0.78 ' CB ' HG11 ' D' ' 116' ' ' VAL . . . -78.49 -55.24 5.37 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 121.234 0.54 . . . . 0.0 109.685 178.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 15' ' ' LEU . . . . . 0.761 HD22 ' HB3' ' C' ' 44' ' ' PHE . 0.3 OUTLIER -63.06 -29.14 70.58 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.701 179.152 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 16' ' ' HIS . . . . . . . . . . . . . 31.6 t60 -71.13 -46.49 61.5 Favored 'General case' 0 CA--C 1.518 -0.267 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 178.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . 0.71 ' CD1' HD11 ' D' ' 113' ' ' LEU . 1.9 mt -60.64 -36.32 78.36 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.187 178.386 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . 0.934 ' CD2' HG11 ' D' ' 92' ' ' VAL . 39.0 mt -59.01 -45.54 90.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 114.98 -1.009 . . . . 0.0 110.428 179.44 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . 0.407 ' O ' ' HG2' ' C' ' 22' ' ' ARG . 2.6 mt-10 -59.4 -42.66 92.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.18 0.514 . . . . 0.0 110.694 179.681 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.1 -36.36 72.17 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.051 179.53 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 21' ' ' TYR . . . . . 0.613 ' CZ ' HD22 ' C' ' 17' ' ' LEU . 11.4 m-30 -66.28 -46.12 78.11 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.815 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 22' ' ' ARG . . . . . 0.523 ' HA ' HD12 ' C' ' 37' ' ' ILE . 0.2 OUTLIER -60.41 -38.65 84.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.913 0.387 . . . . 0.0 110.487 179.551 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 24.4 p -58.44 -48.18 81.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.037 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 24' ' ' LYS . . . . . 0.454 ' HG2' ' H ' ' C' ' 24' ' ' LYS . 2.8 ptpt -80.3 -32.1 38.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.006 0.431 . . . . 0.0 111.382 -179.767 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 25' ' ' LEU . . . . . 0.795 HD12 HD11 ' C' ' 37' ' ' ILE . 0.5 OUTLIER -61.07 -74.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.396 -179.223 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . 0.492 ' HB2' ' HB2' ' C' ' 34' ' ' ARG . 30.2 t -62.21 -147.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.789 -179.42 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 27' ' ' GLN . . . . . 0.408 ' OE1' ' NH1' ' C' ' 31' ' ' ARG . 0.0 OUTLIER 47.96 27.41 1.17 Allowed 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 120.982 0.42 . . . . 0.0 110.311 -179.467 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 28' ' ' THR . . . . . 0.455 ' CG2' ' N ' ' C' ' 29' ' ' GLU . 2.2 t -153.33 -49.54 0.1 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.766 -179.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 29' ' ' GLU . . . . . 0.455 ' N ' ' CG2' ' C' ' 28' ' ' THR . 8.9 pt-20 -177.15 26.73 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.828 -0.623 . . . . 0.0 111.693 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 30' ' ' ASP . . . . . 0.536 ' CB ' HD22 ' C' ' 25' ' ' LEU . 0.9 OUTLIER -143.9 59.65 1.37 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.163 0.506 . . . . 0.0 111.076 -179.773 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . 0.408 ' NH1' ' OE1' ' C' ' 27' ' ' GLN . 16.0 mmm180 -67.29 -53.06 33.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.382 179.551 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.81 -51.54 69.57 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.774 179.037 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 33' ' ' LEU . . . . . 0.48 HD11 ' CB ' ' D' ' 95' ' ' SER . 11.9 tp -51.49 -34.35 35.37 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.026 178.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 34' ' ' ARG . . . . . 0.492 ' HB2' ' HB2' ' C' ' 26' ' ' SER . 7.6 ttp180 -60.6 -48.39 81.98 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.362 178.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 35' ' ' SER . . . . . 0.402 ' O ' ' HG2' ' C' ' 39' ' ' ARG . 5.9 m -55.01 -33.57 62.72 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.379 179.296 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 36' ' ' SER . . . . . 0.506 ' O ' ' HG2' ' C' ' 39' ' ' ARG . 4.3 m -65.75 -50.39 64.94 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-O 121.027 0.441 . . . . 0.0 110.579 179.512 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 37' ' ' ILE . . . . . 0.795 HD11 HD12 ' C' ' 25' ' ' LEU . 33.9 mt -59.96 -38.2 75.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.202 0.525 . . . . 0.0 109.728 178.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 38' ' ' GLU . . . . . 0.406 ' HA ' HG12 ' C' ' 41' ' ' ILE . 17.4 mt-10 -63.14 -52.01 64.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.939 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 39' ' ' ARG . . . . . 0.605 ' HG3' ' HB1' ' D' ' 88' ' ' ALA . 3.3 ptp180 -55.09 -40.07 70.02 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.232 -179.639 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . 0.516 HG12 ' CD1' ' C' ' 44' ' ' PHE . 93.9 t -61.26 -39.91 84.23 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 178.044 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 41' ' ' ILE . . . . . 0.706 HD11 ' HB3' ' C' ' 18' ' ' LEU . 14.0 mm -54.62 -59.05 2.53 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.286 179.526 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 17.1 t -58.98 -46.7 87.46 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.947 0.403 . . . . 0.0 110.739 -179.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 43' ' ' ILE . . . . . 0.627 HD11 ' HB3' ' D' ' 84' ' ' ALA . 13.1 mt -60.06 -34.46 56.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.148 179.36 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 44' ' ' PHE . . . . . 0.761 ' HB3' HD22 ' C' ' 15' ' ' LEU . 1.3 m-85 -72.26 -57.39 4.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.418 179.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 45' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -77.62 -2.64 36.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.578 -179.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 46' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -46.91 137.39 7.36 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-O 120.947 0.403 . . . . 0.0 111.307 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -59.51 -34.13 72.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.045 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . 0.818 HD21 ' HB ' ' D' ' 132' ' ' ILE . 0.6 OUTLIER -79.45 -47.99 14.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.683 179.927 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 49' ' ' PHE . . . . . 0.652 ' CE1' HD23 ' D' ' 126' ' ' LEU . 54.7 t80 -51.53 -55.93 16.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.276 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 49.9 mm-40 -57.01 -37.2 71.35 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.95 0.405 . . . . 0.0 110.712 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 51' ' ' ALA . . . . . 0.47 ' HB2' ' HG2' ' B' ' 135' ' ' LYS . . . -58.48 -42.3 87.19 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.424 179.524 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 52' ' ' LEU . . . . . 0.445 ' CD2' HD13 ' D' ' 128' ' ' LEU . 1.8 mt -63.03 -44.18 96.64 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 121.21 0.528 . . . . 0.0 110.073 179.14 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 53' ' ' ILE . . . . . 0.774 HG12 HD13 ' D' ' 125' ' ' LEU . 20.7 mt -54.77 -34.84 31.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.446 179.317 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -70.37 -40.45 73.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.256 179.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 55' ' ' ILE . . . . . 0.812 HG22 ' HB2' ' C' ' 59' ' ' TYR . 79.0 mt -57.58 -41.0 78.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.726 179.446 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 56' ' ' GLN . . . . . 0.687 ' NE2' HD21 ' D' ' 125' ' ' LEU . 1.5 tt0 -52.41 -23.86 6.76 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.691 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 57' ' ' GLU . . . . . 0.407 ' O ' ' CD2' ' C' ' 58' ' ' PHE . 77.2 mt-10 -47.84 -30.98 4.5 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.278 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 58' ' ' PHE . . . . . 0.432 ' HB3' ' H ' ' A' ' 66' ' ' ASN . 63.6 m-85 -158.11 32.6 0.25 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.531 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 59' ' ' TYR . . . . . 0.894 ' CD2' HD21 ' B' ' 128' ' ' LEU . 39.8 m-85 -140.93 89.02 2.22 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.598 179.619 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -73.39 94.15 2.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.683 0.278 . . . . 0.0 110.951 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 61' ' ' VAL . . . . . 0.53 HG23 HG21 ' D' ' 124' ' ' THR . 0.0 OUTLIER -72.89 98.91 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-O 120.921 0.391 . . . . 0.0 110.877 179.811 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 62' ' ' THR . . . . . 0.422 ' O ' HD23 ' C' ' 64' ' ' LEU . 1.7 m -84.6 106.76 16.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.723 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 63' ' ' LEU . . . . . 0.461 HD11 ' OH ' ' A' ' 59' ' ' TYR . 0.2 OUTLIER -81.45 128.43 33.87 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.582 179.733 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 64' ' ' LEU . . . . . 0.707 HD23 ' N ' ' C' ' 64' ' ' LEU . 0.1 OUTLIER -110.28 -20.13 12.75 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.084 -179.795 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 65' ' ' ASP . . . . . 0.41 ' OD1' ' CE1' ' A' ' 58' ' ' PHE . 0.4 OUTLIER -86.34 4.99 36.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.903 179.51 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 66' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.334 -0.106 0 CA-C-O 120.821 0.344 . . . . 0.0 111.252 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.205 0 N-CA-C 111.272 -0.731 . . . . 0.0 111.272 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 82' ' ' LEU . . . . . 0.624 ' HA ' ' CG ' ' D' ' 130' ' ' ASP . 5.5 tt -99.13 -24.79 14.75 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.307 -0.446 . . . . 0.0 111.104 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 83' ' ' LEU . . . . . 0.871 HD23 ' H ' ' D' ' 84' ' ' ALA . 0.0 OUTLIER -67.92 -54.89 15.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.111 0.482 . . . . 0.0 110.811 -179.845 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 84' ' ' ALA . . . . . 0.871 ' H ' HD23 ' D' ' 83' ' ' LEU . . . -68.94 -23.67 64.18 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.276 -0.875 . . . . 0.0 112.008 -178.586 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 85' ' ' ALA . . . . . 0.804 ' HB1' ' HB3' ' D' ' 126' ' ' LEU . . . -52.74 -22.63 5.47 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.163 179.319 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 86' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -129.24 -44.94 1.25 Allowed 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.914 178.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 87' ' ' ARG . . . . . 0.682 ' HB3' ' O ' ' D' ' 83' ' ' LEU . 11.5 ttt85 -58.01 -43.24 86.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.41 179.193 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 88' ' ' ALA . . . . . 0.747 ' HB2' ' HB1' ' D' ' 84' ' ' ALA . . . -59.41 -49.6 77.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.444 -179.526 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 89' ' ' VAL . . . . . 0.803 HG13 ' CD1' ' D' ' 117' ' ' PHE . 44.3 t -63.87 -52.39 57.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.049 -179.698 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 3.5 t -54.76 -27.22 39.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.142 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 91' ' ' GLN . . . . . 0.494 ' NE2' ' HG2' ' D' ' 87' ' ' ARG . 26.2 mt-30 -70.4 -56.97 5.38 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-O 121.247 0.546 . . . . 0.0 110.059 179.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 92' ' ' VAL . . . . . 0.934 HG11 ' CD2' ' C' ' 18' ' ' LEU . 4.2 t -66.03 -28.11 42.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.307 179.533 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 93' ' ' LEU . . . . . 0.782 HD21 ' HA ' ' D' ' 114' ' ' HIS . 1.3 mt -69.6 -34.84 74.67 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.404 179.735 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -84.75 -37.84 20.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.923 0.392 . . . . 0.0 111.037 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 95' ' ' SER . . . . . 0.48 ' CB ' HD11 ' C' ' 33' ' ' LEU . 0.6 OUTLIER -79.96 -20.8 44.71 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.991 -179.593 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 96' ' ' LEU . . . . . 0.846 HD13 ' HB3' ' D' ' 110' ' ' LEU . 0.1 OUTLIER -36.53 -52.31 0.86 Allowed 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 -179.224 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -67.39 -31.17 71.21 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.947 0.403 . . . . 0.0 110.921 -179.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 98' ' ' GLU . . . . . 0.799 ' O ' ' HB3' ' D' ' 101' ' ' ALA . 0.0 OUTLIER -68.31 -35.19 77.44 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 177.443 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 99' ' ' ILE . . . . . 0.616 ' HB ' ' O ' ' D' ' 96' ' ' LEU . 6.0 mt -58.36 -49.45 81.96 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.711 0 CA-C-N 114.292 -1.322 . . . . 0.0 110.231 178.544 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 100' ' ' HIS . . . . . 0.744 ' HB2' HD11 ' D' ' 110' ' ' LEU . 11.2 t-160 -56.21 -39.41 72.42 Favored 'General case' 0 CA--C 1.515 -0.393 0 CA-C-O 121.977 0.894 . . . . 0.0 108.704 178.456 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 101' ' ' ALA . . . . . 0.799 ' HB3' ' O ' ' D' ' 98' ' ' GLU . . . -52.19 -43.48 64.19 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.001 -1.454 . . . . 0.0 112.077 179.589 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 102' ' ' LEU . . . . . 0.654 HD12 HG23 ' D' ' 103' ' ' THR . 0.4 OUTLIER -119.25 31.57 6.54 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -177.4 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 103' ' ' THR . . . . . 0.654 HG23 HD12 ' D' ' 102' ' ' LEU . 34.2 p -149.18 -32.86 0.21 Allowed 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.994 -0.283 . . . . 0.0 111.613 179.6 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 69.09 28.27 5.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.082 0.467 . . . . 0.0 110.101 -179.231 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 105' ' ' SER . . . . . 0.451 ' CB ' ' CE1' ' C' ' 21' ' ' TYR . 2.2 p -51.0 -84.79 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.054 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 106' ' ' SER . . . . . 0.401 ' CB ' ' O ' ' D' ' 105' ' ' SER . 0.5 OUTLIER 164.47 108.08 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.046 179.907 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 107' ' ' GLU . . . . . 0.665 ' HA ' HD12 ' D' ' 110' ' ' LEU . 9.9 pt-20 -47.66 -32.79 6.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.881 0.372 . . . . 0.0 110.658 -179.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.01 -45.37 89.28 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 179.183 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 109' ' ' ASP . . . . . 0.699 ' O ' HD12 ' D' ' 113' ' ' LEU . 4.0 m-20 -69.96 -35.51 74.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.641 178.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 110' ' ' LEU . . . . . 0.846 ' HB3' HD13 ' D' ' 96' ' ' LEU . 63.5 mt -65.16 -42.37 93.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.957 179.191 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 111' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -62.62 -41.2 98.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.53 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 112' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -59.03 -44.98 91.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.35 179.498 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 113' ' ' LEU . . . . . 0.71 HD11 ' CD1' ' C' ' 17' ' ' LEU . 0.5 OUTLIER -70.04 -40.22 75.27 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.747 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 114' ' ' HIS . . . . . 0.782 ' HA ' HD21 ' D' ' 93' ' ' LEU . 1.6 t-80 -57.57 -32.89 67.6 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 178.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 115' ' ' SER . . . . . . . . . . . . . 10.3 t -74.81 -38.38 62.08 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 177.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 116' ' ' VAL . . . . . 0.834 ' O ' HD22 ' D' ' 122' ' ' LEU . 14.7 t -62.54 -23.76 33.4 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.163 177.643 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 117' ' ' PHE . . . . . 0.803 ' CD1' HG13 ' D' ' 89' ' ' VAL . 25.1 m-85 -97.48 -32.5 11.8 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.186 -0.915 . . . . 0.0 111.403 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 118' ' ' GLN . . . . . 0.448 ' NE2' ' CD2' ' D' ' 114' ' ' HIS . 0.0 OUTLIER -69.07 -29.5 67.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.516 -179.13 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -42.93 114.15 0.57 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.648 -179.389 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 120' ' ' GLN . . . . . . . . . . . . . 3.2 tm0? -59.18 -44.13 92.18 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.628 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 121' ' ' HIS . . . . . . . . . . . . . 57.1 m-70 -55.85 -33.64 64.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.593 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 122' ' ' LEU . . . . . 0.834 HD22 ' O ' ' D' ' 116' ' ' VAL . 39.1 tp -55.52 -46.7 76.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.649 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 123' ' ' HIS . . . . . 0.931 ' HA ' HD12 ' D' ' 126' ' ' LEU . 0.0 OUTLIER -57.26 -25.54 59.36 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 179.191 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 124' ' ' THR . . . . . 0.53 HG21 HG23 ' C' ' 61' ' ' VAL . 2.0 m -73.38 -37.5 65.97 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 178.751 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 125' ' ' LEU . . . . . 0.807 HD12 HD12 ' D' ' 122' ' ' LEU . 6.2 mt -71.99 -33.32 68.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.417 178.404 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 126' ' ' LEU . . . . . 0.931 HD12 ' HA ' ' D' ' 123' ' ' HIS . 7.8 mt -73.44 -50.79 19.86 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.941 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 127' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -60.19 -39.35 86.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.947 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 128' ' ' LEU . . . . . 0.915 HD21 ' CD2' ' A' ' 59' ' ' TYR . 33.7 mt -73.52 -39.39 64.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.569 179.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 129' ' ' TYR . . . . . 0.433 ' HA ' ' HG ' ' C' ' 48' ' ' LEU . 4.0 t80 -55.87 -42.07 75.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.271 179.641 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 130' ' ' ASP . . . . . 0.669 ' OD1' ' HB2' ' D' ' 85' ' ' ALA . 0.1 OUTLIER -76.24 -40.13 52.76 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.186 179.731 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 131' ' ' LYS . . . . . . . . . . . . . 4.3 tptt -54.48 -54.2 44.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.394 -179.262 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 132' ' ' ILE . . . . . 0.818 ' HB ' HD21 ' C' ' 48' ' ' LEU . 1.9 mt -74.11 -35.56 41.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.937 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 133' ' ' ASN . . . . . 0.736 ' HB2' HD23 ' C' ' 48' ' ' LEU . 47.5 t30 -67.59 -30.91 70.63 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.985 -179.651 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 134' ' ' THR . . . . . . . . . . . . . 66.2 m -86.27 -30.3 22.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.117 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.69 -38.33 64.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.602 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 136' ' ' SER . . . . . . . . . . . . . 16.2 t . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.888 179.875 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.92 -39.89 94.2 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 179.067 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -78.79 -27.27 44.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.264 179.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.702 ' HB3' HG22 ' B' ' 116' ' ' VAL . 0.5 OUTLIER -79.73 -32.23 41.13 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.515 179.843 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.2 p -75.08 -42.28 57.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.355 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.509 ' HA ' HD23 ' A' ' 15' ' ' LEU . 0.7 OUTLIER -70.01 -37.16 75.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.242 179.565 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.4 ttm180 -74.98 -25.22 58.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.063 179.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.895 ' CB ' HG11 ' B' ' 116' ' ' VAL . . . -78.46 -51.74 9.56 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.824 178.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.875 HD22 ' HB3' ' A' ' 44' ' ' PHE . 0.4 OUTLIER -64.5 -27.05 68.71 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.719 179.621 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.424 ' HB2' ' O ' ' A' ' 12' ' ' GLN . 17.3 t-160 -72.72 -45.13 60.3 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 178.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.914 HD22 ' CE1' ' A' ' 21' ' ' TYR . 3.8 mt -63.01 -33.61 75.8 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.009 178.281 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.856 HD12 ' HA ' ' A' ' 15' ' ' LEU . 37.6 mt -62.41 -47.95 81.87 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.524 179.505 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.449 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 8.6 mt-10 -59.59 -39.48 84.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.818 179.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -74.72 -35.4 62.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.968 179.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.914 ' CE1' HD22 ' A' ' 17' ' ' LEU . 3.9 m-30 -66.1 -48.56 70.5 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.626 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.57 ' HB3' HD12 ' A' ' 37' ' ' ILE . 0.0 OUTLIER -63.99 -31.48 72.68 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 178.367 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.7 m -58.5 -45.82 87.98 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.421 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.648 ' HE2' ' HA ' ' A' ' 21' ' ' TYR . 0.0 OUTLIER -103.36 -4.18 24.52 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 120.568 -0.453 . . . . 0.0 111.475 -179.806 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.877 HD12 HD11 ' A' ' 37' ' ' ILE . 0.1 OUTLIER -77.21 -59.41 2.79 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.023 0.439 . . . . 0.0 109.92 178.751 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.432 ' HB3' ' HB2' ' A' ' 34' ' ' ARG . 5.0 p -66.28 -158.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.848 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 57.72 32.87 22.51 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-O 120.955 0.407 . . . . 0.0 110.568 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.677 HG23 ' H ' ' A' ' 29' ' ' GLU . 4.1 t -153.08 -59.43 0.14 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.047 -179.6 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.677 ' H ' HG23 ' A' ' 28' ' ' THR . 20.3 pt-20 -173.62 28.28 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.603 -179.47 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.509 ' HB2' HD22 ' A' ' 25' ' ' LEU . 3.9 m-20 -145.84 46.16 1.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.853 0.359 . . . . 0.0 110.914 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.6 -54.83 42.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.283 0.563 . . . . 0.0 110.467 179.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -54.08 -46.52 72.06 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.858 178.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.83 HD21 ' HB3' ' B' ' 95' ' ' SER . 8.4 tp -53.66 -36.67 62.35 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.935 178.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.432 ' HB2' ' HB3' ' A' ' 26' ' ' SER . 15.5 ttp180 -60.61 -43.5 97.38 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.401 178.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.2 t -58.0 -35.58 71.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.303 179.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.617 ' O ' HG23 ' A' ' 40' ' ' VAL . 70.8 m -66.04 -51.04 61.82 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.052 0.453 . . . . 0.0 110.255 179.411 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.877 HD11 HD12 ' A' ' 25' ' ' LEU . 30.4 mt -58.33 -41.22 80.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.773 179.075 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.401 ' HA ' HG12 ' A' ' 41' ' ' ILE . 1.1 mt-10 -65.7 -51.55 58.46 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.07 -0.968 . . . . 0.0 112.507 -179.286 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.593 ' HG3' ' HB1' ' B' ' 88' ' ' ALA . 8.1 ptp180 -55.87 -33.34 64.48 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.478 -0.489 . . . . 0.0 110.092 -179.504 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 36' ' ' SER . 86.4 t -66.19 -44.34 91.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 178.047 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.681 HD11 ' HB3' ' A' ' 18' ' ' LEU . 17.1 mm -50.71 -53.04 14.68 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.263 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.199 179.318 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.1 t -59.49 -47.1 86.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.744 0.307 . . . . 0.0 110.75 -179.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.892 HG23 ' CE2' ' B' ' 129' ' ' TYR . 9.9 mt -59.72 -34.0 54.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 121.122 0.487 . . . . 0.0 109.953 179.219 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.875 ' HB3' HD22 ' A' ' 15' ' ' LEU . 2.8 m-85 -72.45 -56.47 5.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.017 179.279 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.593 ' NE2' HG22 ' A' ' 41' ' ' ILE . 25.8 mt-30 -64.77 -25.92 68.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.515 -179.427 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.482 ' CB ' ' CE1' ' B' ' 129' ' ' TYR . 0.6 OUTLIER -33.86 122.81 0.46 Allowed 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.804 -179.312 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -50.2 -31.63 14.35 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.145 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.794 ' O ' HD12 ' A' ' 48' ' ' LEU . 1.9 tp -79.41 -42.84 24.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.721 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.473 ' CE1' HD23 ' B' ' 126' ' ' LEU . 60.9 t80 -51.12 -55.51 17.4 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.938 0.399 . . . . 0.0 110.744 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 35.3 mm-40 -59.63 -32.89 70.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.231 -0.44 . . . . 0.0 109.957 179.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.54 ' HB3' ' O ' ' A' ' 48' ' ' LEU . . . -58.97 -45.94 89.32 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.256 179.383 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.457 HD22 HD12 ' B' ' 128' ' ' LEU . 1.8 mt -61.34 -45.16 95.57 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.197 179.401 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.916 HG12 HD13 ' B' ' 125' ' ' LEU . 9.0 mt -53.42 -37.18 28.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.715 179.475 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.02 -35.64 66.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.493 179.496 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.774 HG22 ' HB2' ' A' ' 59' ' ' TYR . 75.1 mt -62.56 -42.04 94.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.695 179.649 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -52.88 -24.0 8.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.444 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -48.6 -29.49 4.35 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.328 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.442 ' CG ' ' HB2' ' C' ' 65' ' ' ASP . 51.2 m-85 -154.87 25.36 0.44 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.481 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.877 ' CD2' HD21 ' D' ' 128' ' ' LEU . 46.4 m-85 -136.24 83.16 1.99 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.504 179.698 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -70.29 93.99 0.89 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.04 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.531 HG13 ' CG1' ' C' ' 61' ' ' VAL . 0.0 OUTLIER -72.93 96.99 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.888 0.375 . . . . 0.0 110.908 179.837 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.45 ' O ' HD23 ' A' ' 64' ' ' LEU . 3.2 m -81.22 110.54 16.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.492 179.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.438 HD12 HG23 ' B' ' 124' ' ' THR . 0.1 OUTLIER -84.64 127.43 34.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.693 ' N ' HD23 ' A' ' 64' ' ' LEU . 0.1 OUTLIER -110.35 -24.47 10.62 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.857 -179.775 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.435 ' HB2' ' CG ' ' C' ' 58' ' ' PHE . 20.3 t0 -66.86 -13.35 61.53 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.968 179.579 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 . . . . . 0 CA--C 1.529 0.136 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.334 -179.85 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.727 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.853 ' N ' HD23 ' B' ' 82' ' ' LEU . 0.3 OUTLIER -80.46 -32.48 37.15 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.065 0.46 . . . . 0.0 110.805 179.843 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . 1.093 HD23 ' H ' ' B' ' 84' ' ' ALA . 0.2 OUTLIER -60.12 -50.91 71.82 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.302 -178.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 1.093 ' H ' HD23 ' B' ' 83' ' ' LEU . . . -72.59 -23.45 60.95 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.461 -178.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 85' ' ' ALA . . . . . 0.894 ' HB2' ' OD2' ' B' ' 130' ' ' ASP . . . -52.59 -27.15 15.69 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.151 0.501 . . . . 0.0 109.938 179.449 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -125.21 -43.41 1.94 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.034 179.019 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 87' ' ' ARG . . . . . 0.787 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 12.0 ttt85 -57.74 -49.35 76.86 Favored 'General case' 0 CA--C 1.521 -0.144 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.086 179.14 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . 0.727 ' HB3' ' O ' ' B' ' 84' ' ' ALA . . . -56.75 -49.36 75.47 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.587 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 89' ' ' VAL . . . . . 0.639 HG13 ' CD1' ' B' ' 117' ' ' PHE . 74.9 t -67.99 -28.89 42.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.018 178.669 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 43.6 t -76.06 -30.19 58.28 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.838 179.558 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 91' ' ' GLN . . . . . 0.557 ' HG3' ' O ' ' B' ' 87' ' ' ARG . 17.5 mt-30 -66.27 -52.95 42.44 Favored 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 109.327 -0.619 . . . . 0.0 109.327 179.209 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 92' ' ' VAL . . . . . 0.811 HG11 ' CD2' ' A' ' 18' ' ' LEU . 10.5 t -66.94 -27.73 40.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.127 179.178 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . 0.753 HD21 ' HA ' ' B' ' 114' ' ' HIS . 3.1 mt -69.03 -36.87 78.23 Favored 'General case' 0 C--O 1.231 0.081 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.428 179.681 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -82.79 -34.8 26.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.934 0.397 . . . . 0.0 110.847 -179.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 95' ' ' SER . . . . . 0.83 ' HB3' HD21 ' A' ' 33' ' ' LEU . 4.7 m -79.34 -16.9 55.56 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.751 -179.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . 0.884 HD22 ' CD2' ' B' ' 110' ' ' LEU . 0.1 OUTLIER -37.71 -52.4 1.25 Allowed 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -179.337 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -66.65 -29.46 69.49 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.492 -179.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . 0.77 ' O ' ' HB3' ' B' ' 101' ' ' ALA . 0.0 OUTLIER -72.36 -38.7 68.5 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 178.19 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 99' ' ' ILE . . . . . 0.477 ' O ' HG23 ' B' ' 103' ' ' THR . 23.0 mt -57.94 -47.18 87.13 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.727 0 CA-C-N 114.534 -1.212 . . . . 0.0 109.621 178.289 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . 0.508 ' HB2' ' CD1' ' B' ' 110' ' ' LEU . 13.7 t-160 -57.39 -39.69 76.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.904 0.859 . . . . 0.0 108.751 178.113 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . 0.77 ' HB3' ' O ' ' B' ' 98' ' ' GLU . . . -53.04 -40.77 64.2 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 114.013 -1.449 . . . . 0.0 111.921 179.664 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 102' ' ' LEU . . . . . 0.662 HD21 ' OE2' ' B' ' 98' ' ' GLU . 0.4 OUTLIER -123.33 34.14 5.18 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.135 0.791 . . . . 0.0 113.135 -177.272 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 103' ' ' THR . . . . . 0.638 HG23 HD12 ' B' ' 102' ' ' LEU . 43.2 p -150.18 -35.37 0.16 Allowed 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.552 -0.459 . . . . 0.0 112.024 179.584 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 5.8 t0 75.99 27.43 0.93 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.147 0.499 . . . . 0.0 109.906 -178.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 105' ' ' SER . . . . . 0.45 ' HB3' ' CZ ' ' A' ' 21' ' ' TYR . 0.0 OUTLIER -59.62 -18.04 38.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.538 -0.756 . . . . 0.0 111.556 -179.793 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 1.6 p 77.16 125.78 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.484 -179.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . 0.506 ' HA ' ' HB2' ' B' ' 110' ' ' LEU . 0.3 OUTLIER -56.76 -20.65 23.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.425 -179.611 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 6.3 mmtt -62.53 -55.76 24.39 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.897 0.38 . . . . 0.0 110.454 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 109' ' ' ASP . . . . . 0.629 ' O ' HD12 ' B' ' 113' ' ' LEU . 3.0 m-20 -66.46 -38.94 88.45 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.403 0.62 . . . . 0.0 109.374 178.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 110' ' ' LEU . . . . . 0.884 ' CD2' HD22 ' B' ' 96' ' ' LEU . 16.1 mt -61.57 -37.16 82.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.279 179.065 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 111' ' ' ASP . . . . . 0.497 ' HA ' ' HD2' ' B' ' 114' ' ' HIS . 10.5 t70 -66.21 -43.21 87.38 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.548 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 112' ' ' PHE . . . . . 0.532 ' O ' HG23 ' B' ' 116' ' ' VAL . 0.5 OUTLIER -58.95 -38.39 78.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.553 179.654 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 113' ' ' LEU . . . . . 0.733 HD11 ' CD1' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -75.71 -29.57 59.0 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.161 -179.814 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 114' ' ' HIS . . . . . 0.753 ' HA ' HD21 ' B' ' 93' ' ' LEU . 0.0 OUTLIER -64.62 -34.34 78.04 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 178.515 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 48.4 t -77.24 -38.4 51.22 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.147 178.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 116' ' ' VAL . . . . . 0.895 HG11 ' CB ' ' A' ' 14' ' ' ALA . 24.1 t -61.14 -23.97 31.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.807 178.545 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 117' ' ' PHE . . . . . 0.639 ' CD1' HG13 ' B' ' 89' ' ' VAL . 22.8 m-85 -99.82 -37.23 9.15 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.233 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 118' ' ' GLN . . . . . 0.473 ' NE2' HD11 ' B' ' 93' ' ' LEU . 0.0 OUTLIER -60.63 -28.28 68.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.271 -179.49 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -46.11 116.83 1.34 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.481 -179.671 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -62.11 -39.43 92.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.731 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 121' ' ' HIS . . . . . 0.428 ' O ' ' HG ' ' B' ' 125' ' ' LEU . 8.4 m-70 -59.58 -35.38 74.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.66 179.718 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . 0.832 HD22 ' O ' ' B' ' 116' ' ' VAL . 43.9 tp -56.45 -49.18 75.33 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.491 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 123' ' ' HIS . . . . . 1.011 ' HA ' HD12 ' B' ' 126' ' ' LEU . 45.6 m-70 -53.45 -28.86 32.52 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.037 0.446 . . . . 0.0 110.014 179.128 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 124' ' ' THR . . . . . 0.496 HG22 HD11 ' B' ' 128' ' ' LEU . 1.4 m -72.48 -37.09 68.56 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.806 -0.633 . . . . 0.0 109.339 178.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . 0.916 HD13 HG12 ' A' ' 53' ' ' ILE . 3.2 mt -72.14 -33.47 67.79 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.628 178.638 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . 1.011 HD12 ' HA ' ' B' ' 123' ' ' HIS . 4.0 mt -72.9 -50.54 23.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.593 -0.731 . . . . 0.0 111.164 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 127' ' ' ASP . . . . . 0.421 ' O ' ' HB2' ' B' ' 131' ' ' LYS . 9.3 m-20 -61.09 -52.77 63.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.363 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . 0.901 HD21 ' CD2' ' C' ' 59' ' ' TYR . 28.0 mt -60.43 -40.64 91.84 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.535 -179.492 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 129' ' ' TYR . . . . . 0.892 ' CE2' HG23 ' A' ' 43' ' ' ILE . 0.2 OUTLIER -56.62 -52.67 63.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.882 0.372 . . . . 0.0 111.608 -179.183 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 130' ' ' ASP . . . . . 0.894 ' OD2' ' HB2' ' B' ' 85' ' ' ALA . 0.0 OUTLIER -76.45 -33.25 58.75 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.364 -179.801 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 131' ' ' LYS . . . . . 0.617 ' O ' HG22 ' B' ' 134' ' ' THR . 9.6 tmtm? -59.28 -42.37 91.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.647 0.26 . . . . 0.0 110.77 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 132' ' ' ILE . . . . . 0.52 ' HB ' HD21 ' A' ' 48' ' ' LEU . 5.5 mt -75.21 -38.43 41.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.989 0.423 . . . . 0.0 110.005 179.307 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 133' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -70.12 -25.6 63.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.97 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 134' ' ' THR . . . . . 0.617 HG22 ' O ' ' B' ' 131' ' ' LYS . 1.2 t -82.03 -29.08 32.15 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.96 0.409 . . . . 0.0 110.846 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 135' ' ' LYS . . . . . 0.506 ' HG2' ' HB2' ' C' ' 51' ' ' ALA . 0.0 OUTLIER -69.07 -36.97 78.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.631 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 7' ' ' ARG . . . . . . . . . . . . . 21.6 ttm180 . . . . . 0 N--CA 1.456 -0.151 0 N-CA-C 110.473 -0.195 . . . . 0.0 110.473 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 9.1 mmmt -64.95 -40.01 94.37 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-O 121.196 0.522 . . . . 0.0 109.603 179.046 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -72.99 -30.58 63.91 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.483 178.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -78.0 -30.38 50.08 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.598 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 11' ' ' THR . . . . . 0.432 HG22 ' CE2' ' C' ' 44' ' ' PHE . 1.0 OUTLIER -73.72 -38.33 64.84 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.432 179.816 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 12' ' ' GLN . . . . . 0.416 ' O ' ' CG ' ' C' ' 16' ' ' HIS . 0.6 OUTLIER -69.77 -43.26 72.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.193 179.449 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 9.3 ttm180 -68.05 -26.89 66.09 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.089 179.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 14' ' ' ALA . . . . . 0.853 ' CB ' HG11 ' D' ' 116' ' ' VAL . . . -78.55 -54.62 5.95 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 178.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 15' ' ' LEU . . . . . 0.732 ' O ' HD12 ' C' ' 41' ' ' ILE . 0.3 OUTLIER -64.11 -28.26 69.65 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.762 179.325 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 16' ' ' HIS . . . . . 0.416 ' CG ' ' O ' ' C' ' 12' ' ' GLN . 20.7 m170 -73.09 -43.5 61.71 Favored 'General case' 0 CA--C 1.519 -0.237 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 178.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . 0.844 HD22 ' CZ ' ' C' ' 21' ' ' TYR . 2.4 mt -62.44 -38.13 88.54 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.737 178.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . 0.678 ' CB ' HD11 ' C' ' 41' ' ' ILE . 19.5 mt -63.36 -42.85 98.9 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.604 179.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . 0.417 ' O ' ' CG ' ' C' ' 22' ' ' ARG . 22.5 mt-10 -59.39 -43.04 93.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -71.3 -33.75 69.98 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.991 179.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 21' ' ' TYR . . . . . 0.844 ' CZ ' HD22 ' C' ' 17' ' ' LEU . 17.5 m-30 -66.32 -48.56 69.91 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.58 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 22' ' ' ARG . . . . . 0.454 ' HB2' ' CG ' ' C' ' 34' ' ' ARG . 9.0 ptt85 -56.68 -44.24 81.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.765 0.316 . . . . 0.0 110.419 179.318 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 23' ' ' SER . . . . . 0.435 ' O ' ' HG2' ' C' ' 27' ' ' GLN . 0.6 OUTLIER -58.83 -33.62 70.61 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.791 179.594 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 24' ' ' LYS . . . . . . . . . . . . . 9.7 ptmt -109.33 13.75 24.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.658 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 25' ' ' LEU . . . . . 0.842 HD12 HD11 ' C' ' 37' ' ' ILE . 0.1 OUTLIER -109.56 -65.03 1.18 Allowed 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -178.62 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . 0.591 ' HB2' ' HB2' ' C' ' 34' ' ' ARG . 0.0 OUTLIER -64.36 -21.82 66.75 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -177.927 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 27' ' ' GLN . . . . . 0.435 ' HG2' ' O ' ' C' ' 23' ' ' SER . 0.9 OUTLIER -73.77 55.78 0.54 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.812 0.339 . . . . 0.0 110.916 -179.517 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 28' ' ' THR . . . . . 0.459 HG23 ' HG2' ' C' ' 29' ' ' GLU . 1.4 t -174.75 -51.57 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.796 179.655 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 29' ' ' GLU . . . . . 0.459 ' HG2' HG23 ' C' ' 28' ' ' THR . 8.5 pt-20 -175.65 28.58 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -179.58 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 30' ' ' ASP . . . . . 0.476 ' CB ' HD22 ' C' ' 25' ' ' LEU . 0.4 OUTLIER -142.07 47.25 1.62 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.989 0.423 . . . . 0.0 111.596 -179.789 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . 0.44 ' HA ' ' HB2' ' C' ' 26' ' ' SER . 11.6 mmm180 -55.45 -52.06 64.87 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 121.189 0.519 . . . . 0.0 110.692 179.55 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.36 -47.63 72.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.15 179.401 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 33' ' ' LEU . . . . . 0.509 HD21 ' HB3' ' D' ' 95' ' ' SER . 3.2 tp -52.94 -34.55 55.96 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.034 179.21 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 34' ' ' ARG . . . . . 0.591 ' HB2' ' HB2' ' C' ' 26' ' ' SER . 3.7 ttp180 -60.44 -47.83 84.39 Favored 'General case' 0 CA--C 1.513 -0.449 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 178.743 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.1 -34.96 61.56 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.164 -0.925 . . . . 0.0 109.897 179.253 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 36' ' ' SER . . . . . 0.539 ' HB2' HG22 ' D' ' 92' ' ' VAL . 1.1 m -69.59 -51.34 36.13 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.082 178.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 37' ' ' ILE . . . . . 0.842 HD11 HD12 ' C' ' 25' ' ' LEU . 57.7 mt -56.82 -38.57 59.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.876 178.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -61.77 -52.54 63.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.645 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 39' ' ' ARG . . . . . 0.609 ' HG3' ' HB1' ' D' ' 88' ' ' ALA . 7.0 ptp85 -55.87 -34.64 65.67 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.594 -0.443 . . . . 0.0 109.903 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . 0.484 HG11 ' CD1' ' C' ' 18' ' ' LEU . 95.8 t -68.39 -45.74 81.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 178.293 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 41' ' ' ILE . . . . . 0.732 HD12 ' O ' ' C' ' 15' ' ' LEU . 8.8 mm -55.17 -52.85 40.72 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.108 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.258 179.415 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 40.8 t -63.46 -48.9 75.77 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.859 0.361 . . . . 0.0 110.695 -179.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 43' ' ' ILE . . . . . 0.421 HG13 ' O ' ' C' ' 39' ' ' ARG . 20.6 mt -59.69 -33.16 51.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.126 179.417 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 44' ' ' PHE . . . . . 0.69 ' HB3' HD22 ' C' ' 15' ' ' LEU . 1.3 m-85 -72.74 -57.57 4.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.621 179.513 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 45' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -78.44 -2.21 37.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.798 -178.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 46' ' ' SER . . . . . 0.485 ' CB ' ' CE1' ' D' ' 129' ' ' TYR . 0.6 OUTLIER -49.31 137.68 13.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.869 0.366 . . . . 0.0 111.068 -179.861 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -58.89 -34.06 71.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.051 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . 0.795 ' O ' HD12 ' C' ' 48' ' ' LEU . 1.9 tp -79.22 -43.83 23.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.074 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 49' ' ' PHE . . . . . 0.592 ' CE1' HD23 ' D' ' 126' ' ' LEU . 44.5 t80 -51.24 -55.86 15.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.138 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 37.0 mm-40 -56.56 -32.74 65.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.851 0.358 . . . . 0.0 110.427 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 51' ' ' ALA . . . . . 0.519 ' HB3' ' O ' ' C' ' 48' ' ' LEU . . . -59.89 -47.33 86.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.618 179.506 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 52' ' ' LEU . . . . . 0.528 HD13 ' O ' ' D' ' 125' ' ' LEU . 1.5 mt -61.07 -44.41 97.42 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.365 179.531 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 53' ' ' ILE . . . . . 0.828 HG12 HD13 ' D' ' 125' ' ' LEU . 16.4 mt -54.33 -38.6 40.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.594 179.587 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -67.37 -40.38 85.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.321 179.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 55' ' ' ILE . . . . . 0.822 HG22 ' HB2' ' C' ' 59' ' ' TYR . 61.8 mt -60.43 -37.89 76.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.642 179.512 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 56' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -53.39 -22.81 8.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.556 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 57' ' ' GLU . . . . . 0.411 ' O ' ' CD2' ' C' ' 58' ' ' PHE . 62.3 mt-10 -46.75 -32.06 3.38 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.64 0.257 . . . . 0.0 111.38 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 58' ' ' PHE . . . . . 0.435 ' CG ' ' HB2' ' A' ' 65' ' ' ASP . 59.8 m-85 -157.77 28.52 0.27 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.35 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 59' ' ' TYR . . . . . 0.901 ' CD2' HD21 ' B' ' 128' ' ' LEU . 52.7 m-85 -135.33 81.04 1.87 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.77 179.646 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.14 90.79 0.89 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.723 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 61' ' ' VAL . . . . . 0.603 HG23 HG21 ' D' ' 124' ' ' THR . 0.0 OUTLIER -72.8 96.87 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.185 -179.882 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 62' ' ' THR . . . . . . . . . . . . . 2.8 m -78.73 118.21 20.59 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.177 179.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 63' ' ' LEU . . . . . 0.477 HD12 HG23 ' D' ' 124' ' ' THR . 0.2 OUTLIER -90.12 131.4 35.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.034 -179.761 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 64' ' ' LEU . . . . . 0.757 HD23 ' N ' ' C' ' 64' ' ' LEU . 0.1 OUTLIER -111.85 -28.14 8.18 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.686 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 65' ' ' ASP . . . . . 0.442 ' HB2' ' CG ' ' A' ' 58' ' ' PHE . 0.3 OUTLIER -81.26 -1.73 46.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.134 179.669 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 66' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 . . . . . 0 C--O 1.233 0.187 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.091 -179.866 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.596 0 N-CA-C 109.367 -1.493 . . . . 0.0 109.367 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 82' ' ' LEU . . . . . 0.775 ' N ' HD23 ' D' ' 82' ' ' LEU . 0.5 OUTLIER -68.76 -31.47 70.53 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 177.181 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 83' ' ' LEU . . . . . 1.082 HD23 ' H ' ' D' ' 84' ' ' ALA . 0.1 OUTLIER -59.68 -54.21 49.06 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 114.519 -1.219 . . . . 0.0 111.198 -179.675 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 84' ' ' ALA . . . . . 1.082 ' H ' HD23 ' D' ' 83' ' ' LEU . . . -71.79 -23.29 61.55 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.158 -179.154 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 85' ' ' ALA . . . . . 0.813 ' HB1' ' HB3' ' D' ' 126' ' ' LEU . . . -52.46 -26.42 12.75 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 179.065 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 86' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -126.24 -39.25 2.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.237 178.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 87' ' ' ARG . . . . . 0.741 ' HB3' ' O ' ' D' ' 83' ' ' LEU . 12.9 ttt180 -64.92 -37.74 88.65 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.656 179.56 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 88' ' ' ALA . . . . . 0.787 ' HB2' ' HB1' ' D' ' 84' ' ' ALA . . . -68.54 -45.14 72.97 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.046 -179.615 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 89' ' ' VAL . . . . . 0.77 HG12 ' HB3' ' D' ' 117' ' ' PHE . 25.2 t -76.99 -31.84 19.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.694 179.496 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 90' ' ' SER . . . . . 0.442 ' HA ' ' HB2' ' D' ' 93' ' ' LEU . 45.7 t -76.1 -42.28 47.67 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.067 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 91' ' ' GLN . . . . . 0.438 ' CD ' ' HB3' ' C' ' 36' ' ' SER . 7.8 pt20 -64.68 -49.07 72.39 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 179.62 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 92' ' ' VAL . . . . . 0.685 HG23 ' O ' ' D' ' 88' ' ' ALA . 47.3 t -65.1 -27.87 43.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.265 177.669 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 93' ' ' LEU . . . . . 0.712 HD21 ' HA ' ' D' ' 114' ' ' HIS . 1.5 mt -60.64 -43.04 98.04 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.202 179.35 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -75.19 -31.73 61.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.529 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 95' ' ' SER . . . . . 0.509 ' HB3' HD21 ' C' ' 33' ' ' LEU . 0.8 OUTLIER -79.04 -23.97 43.92 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.41 -179.877 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 96' ' ' LEU . . . . . 0.954 HD22 HD22 ' D' ' 110' ' ' LEU . 0.2 OUTLIER -37.95 -52.61 1.36 Allowed 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 -179.583 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -68.08 -28.96 67.81 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.373 -179.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 98' ' ' GLU . . . . . 0.791 ' OE2' HD21 ' D' ' 102' ' ' LEU . 0.1 OUTLIER -70.2 -36.2 74.45 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 177.896 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 99' ' ' ILE . . . . . 0.585 ' O ' HG23 ' D' ' 103' ' ' THR . 26.5 mt -60.04 -48.54 87.5 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.79 0 CA-C-N 114.505 -1.225 . . . . 0.0 110.011 178.567 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 100' ' ' HIS . . . . . 0.731 ' HB2' HD11 ' D' ' 110' ' ' LEU . 1.9 t-160 -57.8 -35.84 71.38 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 178.376 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 101' ' ' ALA . . . . . 0.76 ' HB3' ' O ' ' D' ' 98' ' ' GLU . . . -54.52 -43.77 72.18 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.585 -1.189 . . . . 0.0 111.79 179.441 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 102' ' ' LEU . . . . . 0.791 HD21 ' OE2' ' D' ' 98' ' ' GLU . 0.3 OUTLIER -117.7 32.55 6.09 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.672 -0.694 . . . . 0.0 112.553 -177.648 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 103' ' ' THR . . . . . 0.638 HG23 HD12 ' D' ' 102' ' ' LEU . 36.6 p -148.46 -33.2 0.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.894 -0.322 . . . . 0.0 111.803 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 1.5 t0 74.17 25.87 1.73 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.982 0.42 . . . . 0.0 110.531 -179.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 105' ' ' SER . . . . . 0.441 ' HB3' ' CZ ' ' C' ' 21' ' ' TYR . 72.7 m -64.18 -13.22 47.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.292 179.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 106' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' D' ' 105' ' ' SER . 4.0 t 81.81 123.02 0.04 OUTLIER 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.988 0.423 . . . . 0.0 111.085 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -54.1 -27.03 30.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.91 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.28 -54.97 36.84 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.968 0.414 . . . . 0.0 110.301 179.556 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 109' ' ' ASP . . . . . 0.725 ' O ' HD12 ' D' ' 113' ' ' LEU . 11.0 m-20 -63.13 -38.76 92.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.732 178.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 110' ' ' LEU . . . . . 0.954 HD22 HD22 ' D' ' 96' ' ' LEU . 17.8 mt -60.25 -38.14 82.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.32 179.255 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 111' ' ' ASP . . . . . 0.485 ' HA ' ' HD2' ' D' ' 114' ' ' HIS . 61.4 m-20 -64.99 -45.85 83.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.843 -179.675 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 112' ' ' PHE . . . . . 0.537 ' O ' HG23 ' D' ' 116' ' ' VAL . 3.8 t80 -58.74 -35.26 72.42 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.375 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 113' ' ' LEU . . . . . 0.725 HD12 ' O ' ' D' ' 109' ' ' ASP . 0.5 OUTLIER -78.26 -28.59 47.74 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 114' ' ' HIS . . . . . 0.712 ' HA ' HD21 ' D' ' 93' ' ' LEU . 0.0 OUTLIER -63.76 -35.27 80.04 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 178.282 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 115' ' ' SER . . . . . . . . . . . . . 27.6 t -74.32 -38.77 63.21 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 178.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 116' ' ' VAL . . . . . 0.853 HG11 ' CB ' ' C' ' 14' ' ' ALA . 44.0 t -63.45 -23.28 32.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.272 -0.876 . . . . 0.0 109.639 178.272 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 117' ' ' PHE . . . . . 0.77 ' HB3' HG12 ' D' ' 89' ' ' VAL . 12.1 m-30 -103.25 -19.6 14.42 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.45 -179.597 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 118' ' ' GLN . . . . . 0.481 ' NE2' HD11 ' D' ' 93' ' ' LEU . 0.0 OUTLIER -79.74 -26.92 40.61 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.66 0.267 . . . . 0.0 111.402 -179.557 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -43.14 118.11 1.23 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.711 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 120' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -63.9 -49.19 73.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.633 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 121' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -55.77 -33.74 64.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.58 179.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 122' ' ' LEU . . . . . 0.899 HD12 HD12 ' D' ' 125' ' ' LEU . 31.1 tp -55.55 -46.27 77.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.333 179.692 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 123' ' ' HIS . . . . . 1.021 ' HA ' HD12 ' D' ' 126' ' ' LEU . 0.0 OUTLIER -54.85 -27.1 39.78 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 178.859 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 124' ' ' THR . . . . . 0.603 HG21 HG23 ' C' ' 61' ' ' VAL . 1.9 m -74.1 -36.13 64.23 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.16 178.561 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 125' ' ' LEU . . . . . 0.899 HD12 HD12 ' D' ' 122' ' ' LEU . 5.0 mt -73.15 -33.5 65.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.496 -0.774 . . . . 0.0 109.619 178.688 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 126' ' ' LEU . . . . . 1.021 HD12 ' HA ' ' D' ' 123' ' ' HIS . 3.4 mt -73.39 -47.79 39.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.09 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 127' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -64.73 -47.03 79.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.062 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 128' ' ' LEU . . . . . 0.877 HD21 ' CD2' ' A' ' 59' ' ' TYR . 63.4 mt -65.86 -34.71 78.76 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.021 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 129' ' ' TYR . . . . . 0.485 ' CE1' ' CB ' ' C' ' 46' ' ' SER . 0.2 OUTLIER -62.06 -52.1 65.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.932 0.396 . . . . 0.0 111.06 -179.444 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 130' ' ' ASP . . . . . 0.578 ' HB3' HD23 ' D' ' 82' ' ' LEU . 13.7 m-20 -76.06 -17.58 59.58 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.127 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 131' ' ' LYS . . . . . 0.551 ' HG2' HD13 ' D' ' 82' ' ' LEU . 0.0 OUTLIER -71.9 -51.16 23.57 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.827 0.346 . . . . 0.0 110.668 179.775 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 132' ' ' ILE . . . . . 0.615 HD12 ' O ' ' D' ' 128' ' ' LEU . 3.1 mt -72.36 -36.93 56.63 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 CA-C-O 121.049 0.452 . . . . 0.0 110.576 179.695 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 133' ' ' ASN . . . . . 0.417 ' HB2' HD23 ' C' ' 48' ' ' LEU . 30.5 t30 -60.26 -26.87 66.79 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.772 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 134' ' ' THR . . . . . 0.553 HG22 ' O ' ' D' ' 134' ' ' THR . 86.2 m -87.75 4.82 42.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.287 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 135' ' ' LYS . . . . . 0.42 ' CB ' ' O ' ' D' ' 134' ' ' THR . 3.3 mmtt 81.39 -10.48 1.18 Allowed 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.726 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 136' ' ' SER . . . . . . . . . . . . . 21.4 t . . . . . 0 C--N 1.331 -0.197 0 CA-C-O 120.993 0.425 . . . . 0.0 111.073 179.922 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.759 ' O ' HG23 ' A' ' 11' ' ' THR . 10.4 ttm180 . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.581 0.229 . . . . 0.0 110.427 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.676 ' HG2' HG21 ' A' ' 53' ' ' ILE . 1.7 mttt -65.12 -37.11 86.41 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 121.231 0.538 . . . . 0.0 109.744 179.016 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -77.98 -27.23 49.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.171 179.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.498 ' HB3' HG22 ' B' ' 116' ' ' VAL . 9.2 m-20 -81.49 -32.25 32.55 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.551 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.759 HG23 ' O ' ' A' ' 7' ' ' ARG . 66.5 p -74.29 -38.86 63.26 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.189 179.535 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.471 ' HA ' HD23 ' A' ' 15' ' ' LEU . 0.7 OUTLIER -71.76 -42.74 66.84 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.535 179.622 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.3 ttt180 -71.79 -23.94 61.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.96 179.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.834 ' CB ' HG11 ' B' ' 116' ' ' VAL . . . -78.64 -53.17 7.45 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.736 179.107 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.842 HD22 ' HB3' ' A' ' 44' ' ' PHE . 0.6 OUTLIER -63.67 -26.29 68.6 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.888 179.591 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.5 m170 -73.34 -47.97 38.07 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 178.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.947 HD22 ' CE1' ' A' ' 21' ' ' TYR . 1.4 mt -60.64 -37.73 82.45 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.595 -0.729 . . . . 0.0 109.449 178.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.938 ' CD2' HG11 ' B' ' 92' ' ' VAL . 18.7 mt -59.17 -46.83 87.36 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.069 -0.969 . . . . 0.0 110.684 179.447 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -57.92 -45.22 86.88 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.031 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -71.67 -34.99 70.18 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.139 0.495 . . . . 0.0 110.081 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.947 ' CE1' HD22 ' A' ' 17' ' ' LEU . 4.9 m-30 -64.61 -47.31 79.07 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.6 179.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.459 ' HG3' ' N ' ' A' ' 23' ' ' SER . 19.4 ptt180 -61.24 -41.94 97.75 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.775 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.459 ' N ' ' HG3' ' A' ' 22' ' ' ARG . 38.9 m -60.12 -35.27 74.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.587 179.601 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.5 ptmt -100.78 0.98 39.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.437 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.788 ' CD1' HD11 ' A' ' 37' ' ' ILE . 0.4 OUTLIER -90.64 -67.99 0.82 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.83 0.347 . . . . 0.0 111.128 -179.757 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.562 ' HB2' ' HB2' ' A' ' 34' ' ' ARG . 33.8 t -62.98 -151.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.663 -179.535 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 57.51 24.07 9.88 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-O 121.157 0.503 . . . . 0.0 110.002 -179.343 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.606 HG23 ' N ' ' A' ' 29' ' ' GLU . 6.6 t -149.52 -55.17 0.18 Allowed 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.814 -179.178 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.606 ' N ' HG23 ' A' ' 28' ' ' THR . 13.4 pt-20 -175.56 27.84 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.655 -179.441 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.512 ' HB2' HD22 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -143.2 59.12 1.41 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.91 0.386 . . . . 0.0 110.944 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.7 mmm180 -68.45 -53.04 26.12 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.102 0.477 . . . . 0.0 109.831 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -60.67 -46.1 91.64 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.56 178.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.628 HD21 ' HB3' ' B' ' 95' ' ' SER . 9.1 tp -51.66 -38.77 56.41 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.058 178.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.848 ' HA ' HD12 ' A' ' 37' ' ' ILE . 5.2 ttp180 -60.56 -45.2 94.81 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.284 178.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.515 ' HA ' ' HG2' ' A' ' 38' ' ' GLU . 13.6 m -55.86 -33.17 64.31 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.006 179.56 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.65 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.7 OUTLIER -71.8 -41.82 67.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.163 0.506 . . . . 0.0 110.572 179.752 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.848 HD12 ' HA ' ' A' ' 34' ' ' ARG . 9.6 mt -62.15 -46.94 95.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.545 179.24 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.53 ' HA ' HG12 ' A' ' 41' ' ' ILE . 7.9 pt-20 -63.46 -43.22 98.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.176 -179.16 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.577 ' HG3' ' HB1' ' B' ' 88' ' ' ALA . 6.6 ptp85 -57.8 -40.21 79.37 Favored 'General case' 0 CA--C 1.52 -0.202 0 C-N-CA 120.203 -0.599 . . . . 0.0 109.589 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.717 HG12 ' CD2' ' A' ' 44' ' ' PHE . 39.7 t -63.66 -34.48 68.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 178.1 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.82 HD11 ' HB3' ' A' ' 18' ' ' LEU . 27.5 mm -60.83 -63.12 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.355 179.32 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.2 p -54.38 -46.35 73.03 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-O 121.057 0.455 . . . . 0.0 110.484 -179.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.505 HG23 ' CD2' ' B' ' 129' ' ' TYR . 8.0 mt -59.78 -33.81 53.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.883 178.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.842 ' HB3' HD22 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -72.13 -59.62 2.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.843 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.432 ' HG2' ' O ' ' A' ' 41' ' ' ILE . 6.6 pt20 -76.25 -2.69 32.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.811 -178.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.401 ' HG ' ' HE1' ' B' ' 129' ' ' TYR . 0.3 OUTLIER -48.47 135.3 14.35 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.868 0.366 . . . . 0.0 111.023 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -53.79 -36.47 62.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.399 -179.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.752 ' O ' HD12 ' A' ' 48' ' ' LEU . 3.3 tp -79.24 -42.8 25.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.231 -179.614 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.404 ' CE2' HD11 ' A' ' 53' ' ' ILE . 53.0 t80 -50.97 -55.99 14.63 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.661 0.267 . . . . 0.0 111.218 -179.457 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -57.89 -39.03 76.9 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.875 0.369 . . . . 0.0 110.479 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.63 -40.23 82.76 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.19 179.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.552 ' HA ' HD12 ' A' ' 55' ' ' ILE . 1.1 mt -64.24 -44.74 90.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.85 178.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.676 HG21 ' HG2' ' A' ' 8' ' ' LYS . 47.5 mt -54.87 -33.44 28.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.247 179.231 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -71.25 -39.48 71.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.97 179.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.643 HG22 ' HB2' ' A' ' 59' ' ' TYR . 91.8 mt -59.45 -47.58 90.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.502 179.442 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.83 -22.99 16.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.376 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -49.71 -39.31 36.54 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.127 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.458 ' CD1' ' HB2' ' C' ' 65' ' ' ASP . 26.9 m-85 -141.99 15.2 2.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.636 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.922 ' CD2' HD21 ' D' ' 128' ' ' LEU . 9.2 m-85 -134.35 75.57 1.59 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.598 179.639 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.415 ' HB2' ' HB ' ' C' ' 62' ' ' THR . 60.0 mt-10 -60.03 106.31 0.49 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.751 0.31 . . . . 0.0 110.595 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.408 HG22 ' H ' ' A' ' 61' ' ' VAL . 0.0 OUTLIER -72.51 97.12 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.948 0.404 . . . . 0.0 110.971 -179.801 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.496 ' HB ' ' HB2' ' C' ' 60' ' ' GLU . 8.7 m -79.63 112.06 16.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.582 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.524 HD11 ' CZ ' ' C' ' 59' ' ' TYR . 0.1 OUTLIER -89.33 126.05 35.37 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.716 179.888 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.769 ' N ' HD23 ' A' ' 64' ' ' LEU . 0.1 OUTLIER -104.8 -26.78 12.11 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.502 -179.871 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.495 ' HB2' ' CG ' ' C' ' 58' ' ' PHE . 37.5 t70 -86.06 2.03 48.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.988 179.431 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.333 -0.127 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.397 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.596 0 N-CA-C 111.408 -0.677 . . . . 0.0 111.408 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.888 ' N ' HD23 ' B' ' 82' ' ' LEU . 0.3 OUTLIER -80.3 -25.96 39.1 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.982 0.42 . . . . 0.0 110.482 179.547 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . 1.042 HD23 ' H ' ' B' ' 84' ' ' ALA . 0.3 OUTLIER -59.81 -46.05 90.43 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.692 -179.619 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 1.042 ' H ' HD23 ' B' ' 83' ' ' LEU . . . -80.14 -5.75 56.53 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.247 -179.446 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 85' ' ' ALA . . . . . 0.789 ' HB1' ' HB2' ' B' ' 126' ' ' LEU . . . -74.5 14.87 0.41 Allowed 'General case' 0 N--CA 1.449 -0.482 0 CA-C-O 121.44 0.638 . . . . 0.0 110.017 178.46 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . 0.517 ' H ' ' C ' ' B' ' 84' ' ' ALA . 8.3 tt0 -167.71 -39.51 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.016 -0.993 . . . . 0.0 108.418 179.634 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 87' ' ' ARG . . . . . 0.692 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 9.3 ttt-85 -67.77 -41.07 83.85 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.658 178.26 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . 0.948 ' HB2' ' HB1' ' B' ' 84' ' ' ALA . . . -67.26 -48.59 67.26 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.571 179.712 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 89' ' ' VAL . . . . . 0.737 HG12 ' HB3' ' B' ' 117' ' ' PHE . 16.0 t -66.27 -43.7 91.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.411 179.408 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 90' ' ' SER . . . . . 0.461 ' HA ' ' HB2' ' B' ' 93' ' ' LEU . 67.6 m -72.28 -21.96 61.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.638 179.199 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 91' ' ' GLN . . . . . 0.475 ' HB3' ' HB3' ' A' ' 36' ' ' SER . 3.5 mt-30 -66.34 -57.16 8.06 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-O 121.384 0.611 . . . . 0.0 109.795 179.454 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 92' ' ' VAL . . . . . 0.938 HG11 ' CD2' ' A' ' 18' ' ' LEU . 5.1 t -66.51 -27.82 41.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.169 179.152 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . 0.63 HD21 ' HA ' ' B' ' 114' ' ' HIS . 0.7 OUTLIER -68.21 -30.61 69.72 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.878 179.486 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.9 -42.51 21.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.994 0.426 . . . . 0.0 110.894 -179.646 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 95' ' ' SER . . . . . 0.628 ' HB3' HD21 ' A' ' 33' ' ' LEU . 0.8 OUTLIER -79.75 -13.11 59.68 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.081 -179.557 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . 0.849 HD13 ' HB3' ' B' ' 110' ' ' LEU . 0.2 OUTLIER -39.21 -50.79 1.96 Allowed 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -179.248 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -68.0 -31.56 71.35 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.936 0.398 . . . . 0.0 111.102 -179.279 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . 0.754 ' O ' ' HB3' ' B' ' 101' ' ' ALA . 0.0 OUTLIER -68.38 -37.41 80.37 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 178.072 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 99' ' ' ILE . . . . . 0.551 HG12 ' CD1' ' A' ' 25' ' ' LEU . 27.8 mt -57.84 -49.37 81.24 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.757 0 CA-C-N 114.146 -1.388 . . . . 0.0 110.337 178.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . 0.915 ' HB2' HD11 ' B' ' 110' ' ' LEU . 11.5 t-160 -56.12 -40.16 73.33 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-O 121.881 0.848 . . . . 0.0 108.766 178.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . 0.754 ' HB3' ' O ' ' B' ' 98' ' ' GLU . . . -52.04 -41.37 62.23 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.087 -1.415 . . . . 0.0 111.821 179.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 102' ' ' LEU . . . . . 0.651 HD13 HD23 ' A' ' 25' ' ' LEU . 0.4 OUTLIER -123.69 35.9 4.75 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 113.087 0.773 . . . . 0.0 113.087 -177.282 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 103' ' ' THR . . . . . 0.644 HG23 HD12 ' B' ' 102' ' ' LEU . 43.6 p -152.17 -31.77 0.15 Allowed 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 179.405 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 73.4 25.49 2.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.102 0.477 . . . . 0.0 110.175 -179.123 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 105' ' ' SER . . . . . 0.451 ' CB ' ' CZ ' ' A' ' 21' ' ' TYR . 0.1 OUTLIER -60.34 -19.24 54.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.322 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . 0.42 ' HA ' ' CE1' ' B' ' 100' ' ' HIS . 4.5 t 78.06 129.84 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.915 0.388 . . . . 0.0 110.641 -179.555 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . 0.793 ' HA ' HD12 ' B' ' 110' ' ' LEU . 1.0 OUTLIER -56.84 -21.55 29.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.142 -179.703 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -61.89 -55.4 30.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.092 0.472 . . . . 0.0 110.21 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 109' ' ' ASP . . . . . 0.69 ' O ' HD12 ' B' ' 113' ' ' LEU . 91.4 m-20 -63.8 -35.25 79.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.994 179.068 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 110' ' ' LEU . . . . . 0.915 HD11 ' HB2' ' B' ' 100' ' ' HIS . 42.2 mt -65.53 -41.61 92.92 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.414 179.247 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -59.95 -43.39 95.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.575 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 112' ' ' PHE . . . . . 0.853 ' O ' HG23 ' B' ' 116' ' ' VAL . 1.2 t80 -60.51 -47.25 86.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.409 179.646 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 113' ' ' LEU . . . . . 0.708 HD11 ' CD1' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -71.11 -29.91 65.85 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.177 179.368 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 114' ' ' HIS . . . . . 0.651 ' O ' ' HG2' ' B' ' 118' ' ' GLN . 70.7 t60 -58.49 -45.29 89.0 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 178.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . 0.507 ' HA ' ' HG2' ' B' ' 118' ' ' GLN . 45.0 m -74.2 -35.0 63.91 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.746 178.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 116' ' ' VAL . . . . . 0.853 HG23 ' O ' ' B' ' 112' ' ' PHE . 53.4 t -56.79 -24.98 20.84 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.328 178.234 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 117' ' ' PHE . . . . . 0.737 ' HB3' HG12 ' B' ' 89' ' ' VAL . 11.2 m-30 -106.07 -13.82 15.35 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.91 179.681 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 118' ' ' GLN . . . . . 0.651 ' HG2' ' O ' ' B' ' 114' ' ' HIS . 3.7 mm-40 -67.59 -44.37 78.31 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.969 0.414 . . . . 0.0 110.666 179.234 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -38.93 131.78 1.34 Allowed 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.345 -178.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -76.26 -44.12 38.71 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.357 179.45 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 15.7 m-70 -56.04 -33.74 65.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.136 179.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . 0.774 HD22 ' O ' ' B' ' 116' ' ' VAL . 47.1 tp -55.66 -43.92 76.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.73 179.254 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 123' ' ' HIS . . . . . 0.828 ' HA ' HD12 ' B' ' 126' ' ' LEU . 31.8 m170 -56.45 -27.56 57.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.997 178.629 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 124' ' ' THR . . . . . 0.418 HG22 ' CD1' ' B' ' 128' ' ' LEU . 6.5 m -77.38 -31.42 54.25 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.299 179.449 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . 0.759 HD12 HD12 ' B' ' 122' ' ' LEU . 18.7 mt -67.82 -40.88 83.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.912 179.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . 0.828 HD12 ' HA ' ' B' ' 123' ' ' HIS . 0.3 OUTLIER -72.93 -44.35 61.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.139 -179.768 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -59.47 -50.12 75.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.109 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . 0.918 HD21 ' CD2' ' C' ' 59' ' ' TYR . 31.9 mt -64.13 -42.69 96.74 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.118 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 129' ' ' TYR . . . . . 0.508 ' O ' HD23 ' A' ' 48' ' ' LEU . 0.4 OUTLIER -55.88 -51.04 68.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.301 -179.312 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 130' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -75.14 -19.42 59.89 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.295 -179.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 131' ' ' LYS . . . . . 0.409 ' O ' HG22 ' B' ' 134' ' ' THR . 0.1 OUTLIER -72.73 -51.27 19.9 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.82 0.343 . . . . 0.0 110.615 179.719 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 132' ' ' ILE . . . . . 0.981 HG23 ' HB1' ' C' ' 51' ' ' ALA . 2.4 mt -70.54 -35.48 61.78 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 CA-C-O 121.18 0.514 . . . . 0.0 110.357 179.547 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 133' ' ' ASN . . . . . . . . . . . . . 44.7 t-20 -61.49 -24.96 66.95 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.459 -0.792 . . . . 0.0 111.105 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 134' ' ' THR . . . . . 0.451 ' O ' ' CB ' ' B' ' 135' ' ' LYS . 0.5 OUTLIER -81.27 3.91 22.32 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.207 -179.927 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 135' ' ' LYS . . . . . 0.451 ' CB ' ' O ' ' B' ' 134' ' ' THR . 5.8 mttp 86.69 -20.22 0.24 Allowed 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 122.622 0.369 . . . . 0.0 111.693 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.268 0 CA-C-O 120.788 0.328 . . . . 0.0 110.892 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.234 0 CA-C-O 120.776 0.322 . . . . 0.0 110.286 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -62.33 -35.86 80.39 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-O 121.133 0.492 . . . . 0.0 109.85 179.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 57.3 mm-40 -76.76 -27.34 55.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.095 179.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 10' ' ' ASP . . . . . 0.549 ' HB3' HG22 ' D' ' 116' ' ' VAL . 1.2 m-20 -79.74 -33.19 40.99 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.516 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 11' ' ' THR . . . . . 0.413 HG22 ' HE1' ' C' ' 44' ' ' PHE . 3.1 p -74.05 -40.22 62.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.448 179.629 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 12' ' ' GLN . . . . . 0.611 ' HA ' HD23 ' C' ' 15' ' ' LEU . 0.7 OUTLIER -71.71 -37.82 70.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.307 179.564 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.61 -25.65 59.38 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.052 179.09 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 14' ' ' ALA . . . . . 0.833 ' CB ' HG11 ' D' ' 116' ' ' VAL . . . -78.69 -50.21 11.81 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.755 179.069 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 15' ' ' LEU . . . . . 0.809 ' HA ' HD12 ' C' ' 18' ' ' LEU . 0.4 OUTLIER -64.81 -28.29 69.47 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.782 179.617 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 16' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -73.16 -45.76 54.71 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 178.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . 0.879 HD22 ' CE1' ' C' ' 21' ' ' TYR . 1.6 mt -62.24 -36.1 80.96 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.193 178.343 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . 0.86 ' CD2' HG11 ' D' ' 92' ' ' VAL . 26.9 mt -62.29 -43.76 98.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.755 -1.111 . . . . 0.0 110.833 179.625 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -63.05 -38.57 91.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.811 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -74.1 -35.81 64.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.256 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 21' ' ' TYR . . . . . 0.879 ' CE1' HD22 ' C' ' 17' ' ' LEU . 14.2 m-30 -69.51 -46.32 66.82 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.02 179.501 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 22' ' ' ARG . . . . . 0.571 ' HA ' HD12 ' C' ' 37' ' ' ILE . 1.1 ttt-85 -55.07 -51.05 67.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.825 179.676 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 38.0 m -56.37 -43.67 79.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.776 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 24' ' ' LYS . . . . . 0.426 ' O ' HG22 ' D' ' 103' ' ' THR . 8.6 ptmt -89.49 3.87 50.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.548 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 25' ' ' LEU . . . . . 0.95 HD12 HD11 ' C' ' 37' ' ' ILE . 0.3 OUTLIER -92.35 -68.75 0.78 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.864 0.364 . . . . 0.0 111.301 -179.755 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . 0.514 ' HB2' ' HB2' ' C' ' 34' ' ' ARG . 30.1 t -62.42 -150.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.907 -179.232 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 27' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 57.51 24.23 10.08 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 121.104 0.478 . . . . 0.0 109.991 -179.276 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 28' ' ' THR . . . . . 0.6 HG23 ' N ' ' C' ' 29' ' ' GLU . 6.5 t -149.73 -56.19 0.18 Allowed 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.892 -179.343 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 29' ' ' GLU . . . . . 0.6 ' N ' HG23 ' C' ' 28' ' ' THR . 13.1 pt-20 -176.67 28.47 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.629 -179.524 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 30' ' ' ASP . . . . . 0.452 ' CB ' HD22 ' C' ' 25' ' ' LEU . 4.9 m-20 -141.53 54.14 1.52 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.029 0.443 . . . . 0.0 111.089 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.51 -52.96 48.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.082 179.56 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 -56.89 -53.03 62.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.848 179.04 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 33' ' ' LEU . . . . . 0.844 HD21 ' HB3' ' D' ' 95' ' ' SER . 10.0 tp -51.03 -33.53 25.69 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.882 178.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 34' ' ' ARG . . . . . 0.514 ' HB2' ' HB2' ' C' ' 26' ' ' SER . 9.1 ttp180 -60.54 -45.98 91.87 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.524 178.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 1.8 m -59.58 -33.05 70.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.42 179.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 36' ' ' SER . . . . . 0.518 ' HB3' HE21 ' D' ' 91' ' ' GLN . 58.8 m -65.78 -51.29 60.25 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.965 0.412 . . . . 0.0 110.799 179.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 37' ' ' ILE . . . . . 0.95 HD11 HD12 ' C' ' 25' ' ' LEU . 33.3 mt -57.83 -41.18 79.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.291 0.567 . . . . 0.0 109.892 179.184 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.37 -52.14 66.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 114.943 -1.026 . . . . 0.0 111.962 -179.689 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 39' ' ' ARG . . . . . 0.538 ' HG3' ' HB1' ' D' ' 88' ' ' ALA . 4.7 ptp180 -55.91 -42.08 75.49 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.403 -179.566 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . 0.651 HG12 ' CD2' ' C' ' 44' ' ' PHE . 78.7 t -60.81 -33.13 54.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 178.474 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 41' ' ' ILE . . . . . 0.684 HD11 ' HB3' ' C' ' 18' ' ' LEU . 13.2 mm -61.98 -60.62 2.42 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.142 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 179.411 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 19.7 p -58.0 -45.88 86.12 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.642 -179.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 43' ' ' ILE . . . . . 0.907 HG23 ' CE2' ' D' ' 129' ' ' TYR . 12.7 mt -59.62 -33.81 53.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.866 179.244 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 44' ' ' PHE . . . . . 0.729 ' HB3' HD22 ' C' ' 15' ' ' LEU . 0.2 OUTLIER -72.54 -59.13 2.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.581 179.686 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 45' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -73.64 -6.58 47.63 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.103 -178.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 46' ' ' SER . . . . . 0.49 ' CB ' ' CE1' ' D' ' 129' ' ' TYR . 0.2 OUTLIER -48.81 135.63 14.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.771 0.32 . . . . 0.0 111.034 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -56.43 -29.47 61.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.299 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . 0.788 HD12 ' HB3' ' C' ' 51' ' ' ALA . 3.5 tp -79.4 -40.72 29.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.934 0.397 . . . . 0.0 110.754 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 49' ' ' PHE . . . . . 0.673 ' CE2' HD11 ' C' ' 53' ' ' ILE . 7.2 t80 -53.48 -31.77 47.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.213 0.53 . . . . 0.0 110.5 179.467 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -74.55 -25.64 59.44 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 178.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 51' ' ' ALA . . . . . 0.981 ' HB1' HG23 ' B' ' 132' ' ' ILE . . . -66.58 -53.85 29.95 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 115.35 -0.841 . . . . 0.0 112.298 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 52' ' ' LEU . . . . . 0.661 ' H ' HD13 ' C' ' 52' ' ' LEU . 0.0 OUTLIER -72.72 -32.79 65.99 Favored 'General case' 0 N--CA 1.462 0.162 0 C-N-CA 119.593 -0.843 . . . . 0.0 111.103 -179.702 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 53' ' ' ILE . . . . . 0.855 HG12 HD13 ' D' ' 125' ' ' LEU . 56.3 mt -60.71 -37.18 75.21 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.249 178.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -73.03 -42.2 63.4 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.669 179.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 55' ' ' ILE . . . . . 0.732 HG22 ' HB2' ' C' ' 59' ' ' TYR . 60.5 mt -57.68 -33.98 46.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.768 179.718 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 56' ' ' GLN . . . . . 0.694 ' HG3' HD21 ' D' ' 125' ' ' LEU . 3.3 mt-30 -53.37 -21.85 6.49 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.723 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 57' ' ' GLU . . . . . 0.407 ' O ' ' CD2' ' C' ' 58' ' ' PHE . 45.5 mt-10 -43.89 -38.01 3.15 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.736 0.303 . . . . 0.0 111.517 -179.69 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 58' ' ' PHE . . . . . 0.495 ' CG ' ' HB2' ' A' ' 65' ' ' ASP . 81.5 m-85 -158.12 35.61 0.25 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.428 -179.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 59' ' ' TYR . . . . . 0.918 ' CD2' HD21 ' B' ' 128' ' ' LEU . 23.1 m-85 -137.4 80.18 1.79 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.754 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 60' ' ' GLU . . . . . 0.496 ' HB2' ' HB ' ' A' ' 62' ' ' THR . 37.5 mt-10 -72.33 99.34 2.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.813 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 61' ' ' VAL . . . . . 0.472 ' CG2' HG21 ' D' ' 124' ' ' THR . 0.0 OUTLIER -72.86 96.78 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 CA-C-O 120.906 0.384 . . . . 0.0 110.922 179.881 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 62' ' ' THR . . . . . 0.415 ' HB ' ' HB2' ' A' ' 60' ' ' GLU . 2.7 m -73.63 118.38 16.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.498 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 63' ' ' LEU . . . . . 0.797 HD11 ' CE2' ' A' ' 59' ' ' TYR . 0.1 OUTLIER -89.49 124.62 34.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.0 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 64' ' ' LEU . . . . . 0.744 HD23 ' N ' ' C' ' 64' ' ' LEU . 0.0 OUTLIER -102.76 -27.2 12.84 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.382 179.639 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 65' ' ' ASP . . . . . 0.458 ' HB2' ' CD1' ' A' ' 58' ' ' PHE . 1.4 m-20 -158.2 -87.74 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.896 179.697 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 66' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 . . . . . 0 N--CA 1.463 0.188 0 CA-C-O 120.793 0.33 . . . . 0.0 111.046 179.993 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.414 0 N-CA-C 110.491 -1.043 . . . . 0.0 110.491 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 82' ' ' LEU . . . . . 0.632 ' C ' HD12 ' D' ' 82' ' ' LEU . 3.1 pp -88.59 -8.81 54.07 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 177.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 83' ' ' LEU . . . . . 1.069 HD23 ' H ' ' D' ' 84' ' ' ALA . 0.6 OUTLIER -62.21 -44.24 97.01 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.821 179.046 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 84' ' ' ALA . . . . . 1.069 ' H ' HD23 ' D' ' 83' ' ' LEU . . . -71.6 -26.02 62.41 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 114.799 -1.091 . . . . 0.0 110.579 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 85' ' ' ALA . . . . . 0.978 ' HB1' ' CB ' ' D' ' 126' ' ' LEU . . . -52.46 -26.55 13.16 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.175 179.607 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 86' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -123.18 -44.18 2.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.648 178.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 87' ' ' ARG . . . . . 0.734 ' HB3' ' O ' ' D' ' 83' ' ' LEU . 27.4 ttt85 -57.91 -54.76 43.23 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.98 178.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 88' ' ' ALA . . . . . 0.74 ' HB3' ' O ' ' D' ' 84' ' ' ALA . . . -56.95 -44.29 82.4 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.976 -1.011 . . . . 0.0 111.18 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 89' ' ' VAL . . . . . 0.862 HG13 ' CD1' ' D' ' 117' ' ' PHE . 53.1 t -61.49 -32.18 52.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.716 179.738 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 31.0 t -76.21 -28.35 57.18 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.469 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 91' ' ' GLN . . . . . 0.669 ' HG3' ' O ' ' D' ' 87' ' ' ARG . 3.6 mt-30 -71.39 -51.42 24.17 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-O 121.16 0.505 . . . . 0.0 109.805 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 92' ' ' VAL . . . . . 0.86 HG11 ' CD2' ' C' ' 18' ' ' LEU . 3.8 t -67.75 -28.13 40.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.103 179.317 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 93' ' ' LEU . . . . . 0.738 HD21 ' HA ' ' D' ' 114' ' ' HIS . 2.1 mt -66.81 -41.18 87.95 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.187 179.665 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.85 -30.82 28.38 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.977 0.418 . . . . 0.0 110.918 -179.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 95' ' ' SER . . . . . 0.844 ' HB3' HD21 ' C' ' 33' ' ' LEU . 15.4 m -80.27 -25.54 39.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.966 -0.561 . . . . 0.0 112.087 -179.361 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 96' ' ' LEU . . . . . 0.889 HD22 HD22 ' D' ' 110' ' ' LEU . 0.2 OUTLIER -38.06 -52.2 1.4 Allowed 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -179.002 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 63.0 mt-10 -69.36 -29.07 66.79 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.912 0.387 . . . . 0.0 111.05 -179.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 98' ' ' GLU . . . . . 0.814 ' O ' ' HB3' ' D' ' 101' ' ' ALA . 0.1 OUTLIER -69.35 -34.58 74.81 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 177.769 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 99' ' ' ILE . . . . . 0.679 HG23 HG21 ' D' ' 103' ' ' THR . 38.1 mt -62.34 -50.04 81.51 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.829 0 CA-C-N 114.426 -1.261 . . . . 0.0 110.012 178.555 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 100' ' ' HIS . . . . . 0.896 ' HB2' HD11 ' D' ' 110' ' ' LEU . 1.9 t-160 -55.84 -33.66 64.72 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 178.218 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 101' ' ' ALA . . . . . 0.814 ' HB3' ' O ' ' D' ' 98' ' ' GLU . . . -57.57 -45.69 84.88 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 114.39 -1.277 . . . . 0.0 111.97 179.397 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 102' ' ' LEU . . . . . 0.803 HD21 ' OE2' ' D' ' 98' ' ' GLU . 0.4 OUTLIER -117.53 26.5 9.68 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.793 -177.532 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 103' ' ' THR . . . . . 0.694 HG23 HD12 ' D' ' 102' ' ' LEU . 31.4 p -141.1 -31.77 0.58 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.714 0.292 . . . . 0.0 111.512 179.626 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 4.5 t0 67.9 27.46 7.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.908 0.385 . . . . 0.0 110.536 -179.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 105' ' ' SER . . . . . 0.423 ' HB3' ' CZ ' ' C' ' 21' ' ' TYR . 11.1 m -53.73 -77.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.79 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 106' ' ' SER . . . . . . . . . . . . . 6.5 t 167.95 104.86 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.417 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -47.38 -31.97 4.5 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.885 0.374 . . . . 0.0 110.601 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 7.7 mmmt -67.26 -47.19 71.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.692 178.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 109' ' ' ASP . . . . . 0.695 ' O ' HD12 ' D' ' 113' ' ' LEU . 47.1 m-20 -63.59 -34.72 78.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.791 179.007 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 110' ' ' LEU . . . . . 0.896 HD11 ' HB2' ' D' ' 100' ' ' HIS . 22.2 mt -62.61 -42.99 99.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.073 179.108 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 111' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -61.3 -41.97 97.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.531 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 112' ' ' PHE . . . . . 0.499 ' O ' HG23 ' D' ' 116' ' ' VAL . 0.7 OUTLIER -58.61 -44.25 89.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.165 179.683 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 113' ' ' LEU . . . . . 0.695 HD12 ' O ' ' D' ' 109' ' ' ASP . 0.5 OUTLIER -70.22 -34.05 72.42 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.651 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 114' ' ' HIS . . . . . 0.797 ' CD2' HD12 ' D' ' 96' ' ' LEU . 37.4 m170 -58.18 -35.03 70.99 Favored 'General case' 0 CA--C 1.517 -0.293 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 178.267 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 115' ' ' SER . . . . . 0.43 ' HA ' ' HB2' ' D' ' 118' ' ' GLN . 1.3 t -73.94 -38.15 64.35 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 108.887 -0.782 . . . . 0.0 108.887 178.579 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 116' ' ' VAL . . . . . 0.851 ' O ' HD22 ' D' ' 122' ' ' LEU . 54.9 t -59.16 -23.58 25.04 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.147 178.555 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 117' ' ' PHE . . . . . 0.862 ' CD1' HG13 ' D' ' 89' ' ' VAL . 44.3 m-85 -105.62 -30.96 9.16 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.436 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 118' ' ' GLN . . . . . 0.43 ' HB2' ' HA ' ' D' ' 115' ' ' SER . 0.0 OUTLIER -60.98 -33.71 73.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.457 -179.207 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -45.44 118.8 1.87 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.488 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 120' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -63.32 -46.49 86.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.863 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 121' ' ' HIS . . . . . . . . . . . . . 48.9 m-70 -55.95 -34.33 65.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.588 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 122' ' ' LEU . . . . . 0.851 HD22 ' O ' ' D' ' 116' ' ' VAL . 28.4 tp -56.29 -47.61 78.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.063 179.481 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 123' ' ' HIS . . . . . 0.839 ' HA ' HD12 ' D' ' 126' ' ' LEU . 12.2 m-70 -52.44 -25.81 11.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.843 179.082 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 124' ' ' THR . . . . . 0.593 HG22 HD11 ' D' ' 128' ' ' LEU . 3.2 m -78.47 -34.36 47.69 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.511 178.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 125' ' ' LEU . . . . . 0.855 HD13 HG12 ' C' ' 53' ' ' ILE . 33.8 mt -66.5 -45.18 80.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.287 -0.87 . . . . 0.0 111.213 179.706 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 126' ' ' LEU . . . . . 0.978 ' CB ' ' HB1' ' D' ' 85' ' ' ALA . 0.1 OUTLIER -73.14 -37.1 66.74 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.821 -179.674 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 127' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.07 -52.4 65.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.952 0.406 . . . . 0.0 110.873 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 128' ' ' LEU . . . . . 0.922 HD21 ' CD2' ' A' ' 59' ' ' TYR . 3.2 mt -73.09 -33.15 65.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.8 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 129' ' ' TYR . . . . . 0.907 ' CE2' HG23 ' C' ' 43' ' ' ILE . 0.6 OUTLIER -55.69 -51.9 65.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.154 -179.497 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 130' ' ' ASP . . . . . 0.472 ' CB ' ' HB3' ' D' ' 82' ' ' LEU . 3.4 m-20 -75.75 -35.4 60.18 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.035 -179.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.77 -46.57 74.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.064 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 132' ' ' ILE . . . . . 0.579 ' HB ' HD21 ' C' ' 48' ' ' LEU . 3.1 mt -76.22 -40.06 35.86 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 CA-C-O 120.988 0.423 . . . . 0.0 110.586 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 133' ' ' ASN . . . . . . . . . . . . . 26.7 t30 -62.51 -25.94 68.28 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.023 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 134' ' ' THR . . . . . 0.872 HG22 ' HD3' ' D' ' 135' ' ' LYS . 23.9 m -78.3 -54.79 5.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.577 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 135' ' ' LYS . . . . . 0.872 ' HD3' HG22 ' D' ' 134' ' ' THR . 0.0 OUTLIER 169.93 -27.83 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.83 179.44 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 136' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.239 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.292 -179.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.709 ' O ' HG23 ' A' ' 11' ' ' THR . 2.2 mtm-85 . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.277 0.084 . . . . 0.0 111.082 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.628 ' HB3' HG21 ' A' ' 53' ' ' ILE . 0.0 OUTLIER -76.51 -25.8 54.58 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 179.103 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.422 ' NE2' ' HD2' ' A' ' 8' ' ' LYS . 1.2 mm-40 -80.31 -34.57 36.67 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 177.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.746 ' HB3' HG22 ' B' ' 116' ' ' VAL . 1.1 m-20 -76.59 -30.05 56.82 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.152 179.241 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.709 HG23 ' O ' ' A' ' 7' ' ' ARG . 20.7 p -72.89 -44.21 61.56 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.648 179.537 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -68.12 -36.59 79.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.316 179.603 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -73.91 -25.28 59.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.041 179.045 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.923 ' CB ' HG11 ' B' ' 116' ' ' VAL . . . -78.24 -54.81 5.82 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.556 178.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.733 HD22 ' HB3' ' A' ' 44' ' ' PHE . 0.4 OUTLIER -60.49 -26.34 66.75 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.594 179.198 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -73.19 -46.27 51.54 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 178.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.898 HD22 ' CE1' ' A' ' 21' ' ' TYR . 5.5 mt -62.44 -34.97 77.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.377 178.685 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.795 HD22 HG11 ' B' ' 92' ' ' VAL . 44.8 mt -64.2 -41.37 97.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.572 179.518 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.26 -44.98 96.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.72 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -73.2 -33.61 65.49 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.995 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.898 ' CE1' HD22 ' A' ' 17' ' ' LEU . 9.4 m-30 -65.99 -47.01 75.94 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.763 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.46 ' HA ' HD13 ' A' ' 37' ' ' ILE . 4.0 ptt180 -62.99 -42.52 99.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.912 0.387 . . . . 0.0 110.534 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.1 m -59.71 -35.37 74.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.01 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.6 ptmt -95.42 -18.58 20.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.494 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.817 HD12 HD11 ' A' ' 37' ' ' ILE . 0.3 OUTLIER -70.42 -65.76 0.69 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.026 0.441 . . . . 0.0 111.047 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.51 ' HB3' ' HB2' ' A' ' 34' ' ' ARG . 1.5 p -58.99 -159.97 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.133 -179.627 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 59.72 29.19 18.75 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.608 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.662 HG23 ' H ' ' A' ' 29' ' ' GLU . 5.0 t -152.77 -59.25 0.14 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.181 -179.658 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.662 ' H ' HG23 ' A' ' 28' ' ' THR . 14.7 pt-20 -175.37 28.16 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.644 -179.347 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.428 ' CB ' HD22 ' A' ' 25' ' ' LEU . 4.9 m-20 -146.01 48.06 1.23 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.985 0.422 . . . . 0.0 111.113 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.3 mmt180 -58.38 -50.44 73.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.183 0.516 . . . . 0.0 110.149 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -57.52 -47.22 82.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.067 179.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.95 HD21 ' HB2' ' B' ' 95' ' ' SER . 7.0 tp -55.32 -29.72 58.82 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.031 179.273 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.735 ' HA ' HD12 ' A' ' 37' ' ' ILE . 5.8 ttp180 -66.4 -42.71 87.44 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 178.384 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.515 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 1.3 m -62.13 -27.84 69.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.945 -1.025 . . . . 0.0 111.069 179.51 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.595 ' HB3' ' NE2' ' B' ' 91' ' ' GLN . 0.2 OUTLIER -75.96 -44.7 38.59 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.282 0.563 . . . . 0.0 110.28 179.526 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.817 HD11 HD12 ' A' ' 25' ' ' LEU . 4.1 mt -64.13 -41.3 92.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.379 179.143 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.551 ' HA ' HG12 ' A' ' 41' ' ' ILE . 8.1 pt-20 -64.6 -43.73 92.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.013 -179.15 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.514 ' HG2' ' O ' ' A' ' 36' ' ' SER . 6.0 ptp180 -59.69 -38.77 82.44 Favored 'General case' 0 CA--C 1.52 -0.21 0 C-N-CA 120.198 -0.601 . . . . 0.0 109.615 179.677 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 36' ' ' SER . 95.0 t -60.91 -40.71 86.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 178.012 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.677 HD11 ' HB3' ' A' ' 18' ' ' LEU . 12.8 mm -53.97 -57.71 5.1 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.722 179.766 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.6 p -58.38 -47.7 83.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.953 0.406 . . . . 0.0 110.867 -179.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.903 HG23 ' CE2' ' B' ' 129' ' ' TYR . 11.0 mt -59.92 -34.78 57.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.053 179.279 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.733 ' HB3' HD22 ' A' ' 15' ' ' LEU . 1.3 m-85 -72.29 -56.23 5.85 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.943 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.593 ' NE2' HG22 ' A' ' 41' ' ' ILE . 5.7 pt20 -78.64 -2.64 40.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.64 -179.204 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.536 ' HG ' ' HE1' ' B' ' 129' ' ' TYR . 0.2 OUTLIER -48.2 134.2 14.66 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.904 0.383 . . . . 0.0 110.884 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -52.15 -33.96 42.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.392 -179.54 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.852 ' O ' HD12 ' A' ' 48' ' ' LEU . 1.2 tp -79.77 -44.69 20.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.44 -179.766 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.819 ' CE1' HD11 ' A' ' 53' ' ' ILE . 37.4 t80 -50.24 -52.94 31.9 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 121.011 -0.276 . . . . 0.0 110.866 -179.202 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.554 ' OE1' HD12 ' A' ' 53' ' ' ILE . 23.5 mm-40 -60.27 -36.38 77.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.894 0.378 . . . . 0.0 110.044 179.212 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' A' ' 48' ' ' LEU . . . -58.63 -43.06 89.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.157 179.294 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.722 HD13 ' O ' ' B' ' 125' ' ' LEU . 0.5 OUTLIER -60.9 -43.7 98.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.723 178.885 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.819 HD11 ' CE1' ' A' ' 49' ' ' PHE . 35.0 mt -54.22 -36.91 34.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.269 179.112 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.03 -31.86 64.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.518 179.467 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.658 HG22 ' HB2' ' A' ' 59' ' ' TYR . 68.5 mt -68.97 -46.42 78.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.919 179.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -52.93 -21.75 4.73 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.581 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -46.09 -35.72 5.19 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.136 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.45 ' CG ' ' HB2' ' C' ' 65' ' ' ASP . 12.9 m-85 -152.37 21.44 0.64 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.66 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.962 ' CD2' HD21 ' D' ' 128' ' ' LEU . 34.9 m-85 -127.21 64.42 1.32 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.6 179.502 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.408 ' HB2' ' HB ' ' C' ' 62' ' ' THR . 1.6 mm-40 -50.74 94.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.414 -179.617 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.613 HG23 HG21 ' B' ' 124' ' ' THR . 0.2 OUTLIER -76.93 107.44 8.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.966 179.694 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.529 HG22 ' HB2' ' C' ' 60' ' ' GLU . 0.4 OUTLIER -95.77 130.26 42.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.716 -179.854 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.41 HD11 ' CZ ' ' C' ' 59' ' ' TYR . 0.1 OUTLIER -91.54 133.03 35.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.594 179.724 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.615 ' N ' HD23 ' A' ' 64' ' ' LEU . 0.1 OUTLIER -109.98 -27.72 9.08 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.953 -179.762 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.414 ' HB2' ' CG ' ' C' ' 58' ' ' PHE . 2.0 t0 -64.58 -37.75 88.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.412 179.708 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.465 0.311 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.797 179.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 81' ' ' GLY . . . . . 0.471 ' O ' ' HB2' ' B' ' 85' ' ' ALA . . . . . . . . 0 N--CA 1.45 -0.404 0 N-CA-C 108.592 -1.803 . . . . 0.0 108.592 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.701 HD22 ' HB2' ' B' ' 130' ' ' ASP . 0.3 OUTLIER -72.44 -34.65 67.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 114.0 -1.1 . . . . 0.0 108.595 176.913 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . 0.949 HD23 ' H ' ' B' ' 84' ' ' ALA . 0.5 OUTLIER -87.23 -41.34 13.78 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 114.308 -1.315 . . . . 0.0 110.96 -179.622 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.949 ' H ' HD23 ' B' ' 83' ' ' LEU . . . -76.48 -20.93 56.48 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.208 -0.905 . . . . 0.0 112.205 -178.085 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 85' ' ' ALA . . . . . 0.844 ' HB1' ' HB3' ' B' ' 126' ' ' LEU . . . -52.69 -24.91 9.51 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.227 0.537 . . . . 0.0 110.059 179.387 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -125.05 -44.64 1.9 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.636 178.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 87' ' ' ARG . . . . . 0.646 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 12.1 ttt85 -57.8 -49.65 75.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.36 179.077 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . 0.855 ' HB2' ' HB1' ' B' ' 84' ' ' ALA . . . -57.75 -44.73 86.29 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.575 -179.121 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 89' ' ' VAL . . . . . 0.503 HG12 ' HB3' ' B' ' 117' ' ' PHE . 34.6 t -63.58 -30.32 49.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.56 179.613 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 13.0 t -75.46 -28.18 59.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.128 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 91' ' ' GLN . . . . . 0.602 ' HG3' ' O ' ' B' ' 87' ' ' ARG . 2.3 mt-30 -69.54 -53.28 19.76 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 179.475 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 92' ' ' VAL . . . . . 0.795 HG11 HD22 ' A' ' 18' ' ' LEU . 3.2 t -65.63 -28.1 43.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.791 178.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . 0.754 HD21 ' HA ' ' B' ' 114' ' ' HIS . 2.7 mt -66.24 -38.43 87.87 Favored 'General case' 0 C--O 1.23 0.068 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.455 179.666 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -80.2 -38.62 30.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.988 0.423 . . . . 0.0 110.797 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 95' ' ' SER . . . . . 0.95 ' HB2' HD21 ' A' ' 33' ' ' LEU . 2.2 p -79.58 -21.4 45.07 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.573 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . 1.085 HD22 HD22 ' B' ' 110' ' ' LEU . 0.2 OUTLIER -34.83 -52.95 0.55 Allowed 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -179.162 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -70.18 -29.35 66.21 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.285 -179.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . 0.79 ' O ' ' HB3' ' B' ' 101' ' ' ALA . 0.4 OUTLIER -70.12 -34.1 72.67 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 177.874 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 99' ' ' ILE . . . . . 0.556 ' O ' HG23 ' B' ' 103' ' ' THR . 19.3 mt -62.55 -49.17 84.9 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.869 0 CA-C-N 114.513 -1.221 . . . . 0.0 109.817 178.624 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . 0.775 ' HB2' HD11 ' B' ' 110' ' ' LEU . 2.0 t-160 -57.01 -34.85 68.58 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 178.187 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . 0.79 ' HB3' ' O ' ' B' ' 98' ' ' GLU . . . -54.29 -46.1 72.68 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 114.562 -1.199 . . . . 0.0 111.557 179.298 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 102' ' ' LEU . . . . . 0.659 HD12 HG23 ' B' ' 103' ' ' THR . 0.4 OUTLIER -116.94 33.38 5.64 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.443 -0.798 . . . . 0.0 112.465 -177.766 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 103' ' ' THR . . . . . 0.659 HG23 HD12 ' B' ' 102' ' ' LEU . 43.5 p -147.85 -32.86 0.26 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 111.675 0.25 . . . . 0.0 111.675 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 1.6 t0 74.77 25.6 1.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.038 0.447 . . . . 0.0 110.545 -179.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 105' ' ' SER . . . . . 0.452 ' HB3' ' CZ ' ' A' ' 21' ' ' TYR . 3.7 m -65.12 -12.1 47.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.459 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . 0.411 ' CB ' ' O ' ' B' ' 105' ' ' SER . 1.6 p 80.62 123.34 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.886 0.374 . . . . 0.0 110.965 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -55.73 -31.02 62.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.939 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 19.0 mmtt -54.41 -53.51 53.07 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.093 0.473 . . . . 0.0 110.316 179.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 109' ' ' ASP . . . . . 0.625 ' O ' HD12 ' B' ' 113' ' ' LEU . 4.7 m-20 -62.05 -40.17 94.84 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.859 179.167 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 110' ' ' LEU . . . . . 1.085 HD22 HD22 ' B' ' 96' ' ' LEU . 28.5 mt -59.71 -39.81 85.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.351 179.221 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 111' ' ' ASP . . . . . 0.432 ' HA ' ' HD2' ' B' ' 114' ' ' HIS . 82.8 m-20 -62.5 -44.91 95.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.773 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 112' ' ' PHE . . . . . 0.567 ' O ' HG23 ' B' ' 116' ' ' VAL . 0.8 OUTLIER -58.29 -38.79 77.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.424 179.758 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 113' ' ' LEU . . . . . 0.716 HD11 ' CD1' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -74.94 -28.16 60.48 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.005 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 114' ' ' HIS . . . . . 0.754 ' HA ' HD21 ' B' ' 93' ' ' LEU . 0.0 OUTLIER -64.13 -35.77 81.84 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 178.666 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 2.8 m -76.23 -37.66 57.42 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 178.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 116' ' ' VAL . . . . . 0.923 HG11 ' CB ' ' A' ' 14' ' ' ALA . 41.0 t -62.43 -24.7 35.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.915 178.463 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 117' ' ' PHE . . . . . 0.63 ' CZ ' HD11 ' A' ' 18' ' ' LEU . 20.7 m-85 -98.95 -34.28 10.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.74 -0.663 . . . . 0.0 111.144 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 118' ' ' GLN . . . . . 0.471 ' NE2' HD11 ' B' ' 93' ' ' LEU . 0.0 OUTLIER -63.63 -28.51 69.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.227 -179.479 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -44.91 114.14 0.67 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.558 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -60.72 -43.88 97.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.748 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 121' ' ' HIS . . . . . 0.415 ' O ' ' HG ' ' B' ' 125' ' ' LEU . 8.7 m170 -57.11 -34.63 68.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.636 179.766 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . 0.91 HD12 HD12 ' B' ' 125' ' ' LEU . 38.5 tp -56.16 -49.06 75.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.507 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 123' ' ' HIS . . . . . 0.989 ' HA ' HD12 ' B' ' 126' ' ' LEU . 16.6 m170 -54.34 -26.36 29.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.074 179.071 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 124' ' ' THR . . . . . 0.613 HG21 HG23 ' A' ' 61' ' ' VAL . 1.4 m -74.26 -37.19 63.81 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 178.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . 0.91 HD12 HD12 ' B' ' 122' ' ' LEU . 4.0 mt -71.89 -33.85 68.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.479 178.584 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . 0.989 HD12 ' HA ' ' B' ' 123' ' ' HIS . 4.3 mt -73.13 -50.1 24.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.965 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -59.69 -53.37 58.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.105 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . 0.927 HD21 ' CD2' ' C' ' 59' ' ' TYR . 17.6 mt -62.53 -34.93 77.9 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.549 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 129' ' ' TYR . . . . . 0.903 ' CE2' HG23 ' A' ' 43' ' ' ILE . 0.9 OUTLIER -56.05 -50.45 70.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.964 -179.838 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 130' ' ' ASP . . . . . 0.701 ' HB2' HD22 ' B' ' 82' ' ' LEU . 0.0 OUTLIER -75.42 -34.33 61.02 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.028 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.94 -49.68 70.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.231 -179.673 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 132' ' ' ILE . . . . . 0.66 HD12 ' O ' ' B' ' 128' ' ' LEU . 2.7 mt -75.02 -39.39 44.17 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.433 0 CA-C-O 120.798 0.333 . . . . 0.0 110.879 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 133' ' ' ASN . . . . . 0.428 ' HB2' ' O ' ' B' ' 129' ' ' TYR . 0.2 OUTLIER -60.68 -25.61 66.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.966 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 134' ' ' THR . . . . . 0.649 HG22 ' O ' ' B' ' 134' ' ' THR . 58.6 m -95.12 33.22 1.56 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.078 0.466 . . . . 0.0 111.159 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 2.5 mttm -142.5 -40.15 0.34 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.235 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 81.1 p . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.172 -179.933 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 7' ' ' ARG . . . . . 0.45 ' HA ' ' OD2' ' C' ' 10' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.159 0 CA-C-O 120.518 0.199 . . . . 0.0 110.67 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 8' ' ' LYS . . . . . 0.813 ' HG2' HG21 ' C' ' 53' ' ' ILE . 2.5 mttm -67.06 -30.62 70.72 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 121.194 0.521 . . . . 0.0 110.026 178.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 35.3 mm-40 -80.32 -30.41 38.12 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.292 179.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 10' ' ' ASP . . . . . 0.504 ' OD1' ' N ' ' C' ' 11' ' ' THR . 13.9 p30 -83.94 -28.84 27.54 Favored 'General case' 0 C--N 1.333 -0.136 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.136 179.367 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 11' ' ' THR . . . . . 0.504 ' N ' ' OD1' ' C' ' 10' ' ' ASP . 13.3 p -73.35 -40.3 64.51 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.903 178.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.3 -49.16 58.5 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.109 179.161 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.06 -23.8 67.28 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.991 178.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 14' ' ' ALA . . . . . 0.73 ' CB ' HG11 ' D' ' 116' ' ' VAL . . . -78.28 -54.2 6.48 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.831 179.177 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 15' ' ' LEU . . . . . 0.917 HD22 ' HB3' ' C' ' 44' ' ' PHE . 0.5 OUTLIER -67.13 -28.55 68.23 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.464 179.496 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 16' ' ' HIS . . . . . . . . . . . . . 22.2 t-80 -68.81 -44.31 73.78 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 178.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . 0.73 HD22 ' CE1' ' C' ' 21' ' ' TYR . 3.5 mt -65.79 -34.37 78.02 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.299 178.33 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . 0.926 ' CD2' HG11 ' D' ' 92' ' ' VAL . 20.1 mt -62.55 -50.33 71.78 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.873 179.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' C' ' 20' ' ' GLU . 5.4 pt-20 -60.72 -33.98 73.71 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.702 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 20' ' ' GLU . . . . . 0.41 ' N ' ' HG3' ' C' ' 19' ' ' GLU . 47.5 mt-10 -75.07 -37.27 61.66 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-O 121.117 0.484 . . . . 0.0 110.011 179.287 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 21' ' ' TYR . . . . . 0.73 ' CE1' HD22 ' C' ' 17' ' ' LEU . 16.2 m-30 -67.23 -47.37 70.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.433 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 22' ' ' ARG . . . . . 0.46 ' HG3' ' N ' ' C' ' 23' ' ' SER . 0.1 OUTLIER -59.18 -43.28 92.17 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.805 0.335 . . . . 0.0 110.467 179.465 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 23' ' ' SER . . . . . 0.46 ' N ' ' HG3' ' C' ' 22' ' ' ARG . 3.6 m -59.7 -35.81 75.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.363 179.412 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 24' ' ' LYS . . . . . 0.454 ' O ' HG22 ' D' ' 103' ' ' THR . 7.6 ptmt -100.48 6.05 44.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.262 179.671 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 25' ' ' LEU . . . . . 0.891 HD12 HD11 ' C' ' 37' ' ' ILE . 0.3 OUTLIER -95.72 -67.02 0.87 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.914 0.388 . . . . 0.0 111.227 -179.638 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . 0.541 ' HB3' ' HB2' ' C' ' 34' ' ' ARG . 1.8 p -59.89 -159.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.166 -179.292 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 27' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 59.05 29.58 19.17 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.496 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 28' ' ' THR . . . . . 0.689 HG23 ' H ' ' C' ' 29' ' ' GLU . 4.4 t -151.73 -60.64 0.17 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.285 -179.461 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 29' ' ' GLU . . . . . 0.689 ' H ' HG23 ' C' ' 28' ' ' THR . 17.2 pt-20 -174.19 28.8 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.721 -179.154 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 30' ' ' ASP . . . . . 0.606 ' HB2' HD22 ' C' ' 25' ' ' LEU . 4.0 m-20 -149.25 49.83 0.96 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.904 0.383 . . . . 0.0 111.078 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.99 -55.01 37.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.349 0.595 . . . . 0.0 110.572 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 3.9 tm0? -52.44 -48.26 65.89 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.45 -0.795 . . . . 0.0 109.93 179.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 33' ' ' LEU . . . . . 0.821 HD21 ' HB2' ' D' ' 95' ' ' SER . 9.2 tp -54.43 -34.37 61.25 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.96 178.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 34' ' ' ARG . . . . . 0.541 ' HB2' ' HB3' ' C' ' 26' ' ' SER . 5.3 ttp180 -60.88 -43.46 98.4 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.434 178.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.48 -35.83 74.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.238 179.228 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 36' ' ' SER . . . . . 0.526 ' HB3' HE21 ' D' ' 91' ' ' GLN . 67.4 m -62.36 -51.81 66.11 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.598 179.711 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 37' ' ' ILE . . . . . 0.891 HD11 HD12 ' C' ' 25' ' ' LEU . 7.6 mt -58.57 -41.84 83.07 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.325 0 CA-C-O 121.397 0.618 . . . . 0.0 109.389 178.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -58.29 -52.07 67.14 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.786 -1.097 . . . . 0.0 112.017 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 39' ' ' ARG . . . . . 0.53 ' HG3' ' HB1' ' D' ' 88' ' ' ALA . 6.0 ptp180 -55.74 -37.78 68.93 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.396 -0.522 . . . . 0.0 110.236 -179.607 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . 0.586 HG12 ' CD2' ' C' ' 44' ' ' PHE . 64.4 t -64.87 -33.61 64.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 178.289 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 41' ' ' ILE . . . . . 0.833 HD11 ' CB ' ' C' ' 18' ' ' LEU . 44.4 mm -68.41 -60.13 2.86 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.132 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.175 179.501 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 20.3 p -53.63 -46.72 70.58 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.053 0.454 . . . . 0.0 110.333 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 43' ' ' ILE . . . . . 0.453 HG23 ' CE2' ' D' ' 129' ' ' TYR . 15.8 mt -60.07 -33.14 52.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.705 178.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 44' ' ' PHE . . . . . 0.917 ' HB3' HD22 ' C' ' 15' ' ' LEU . 0.4 OUTLIER -72.53 -58.72 3.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.711 179.49 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 45' ' ' GLN . . . . . 0.685 ' NE2' HG22 ' C' ' 41' ' ' ILE . 29.6 mt-30 -62.89 -22.37 66.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.61 -0.723 . . . . 0.0 112.162 -178.637 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 46' ' ' SER . . . . . 0.432 ' CB ' ' CE1' ' D' ' 129' ' ' TYR . 0.2 OUTLIER -41.13 156.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.91 0.386 . . . . 0.0 111.744 -179.378 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -79.53 -33.51 41.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.463 -179.383 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . 0.783 HD12 ' HA ' ' D' ' 129' ' ' TYR . 0.4 OUTLIER -69.35 -45.91 68.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.993 0.425 . . . . 0.0 110.124 179.879 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 49' ' ' PHE . . . . . 0.87 ' CE2' HD11 ' C' ' 53' ' ' ILE . 68.7 t80 -51.48 -56.01 15.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.233 -179.608 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -54.76 -38.8 67.64 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.596 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 51' ' ' ALA . . . . . 0.451 ' CB ' HG23 ' B' ' 132' ' ' ILE . . . -58.87 -46.32 88.07 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.459 179.522 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 52' ' ' LEU . . . . . 0.456 HD12 HD12 ' C' ' 48' ' ' LEU . 2.3 mt -60.12 -45.09 94.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.201 179.327 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 53' ' ' ILE . . . . . 0.87 HD11 ' CE2' ' C' ' 49' ' ' PHE . 59.3 mt -55.09 -35.77 36.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.42 179.493 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.34 -39.16 81.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.063 179.288 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 55' ' ' ILE . . . . . 0.791 HG22 ' HB2' ' C' ' 59' ' ' TYR . 78.0 mt -57.73 -42.32 81.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.637 179.406 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 56' ' ' GLN . . . . . 0.726 HE22 HD21 ' D' ' 125' ' ' LEU . 0.6 OUTLIER -53.73 -23.34 11.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.457 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 57' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -49.19 -31.34 8.32 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.307 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 58' ' ' PHE . . . . . 0.48 ' HA ' ' HG ' ' A' ' 64' ' ' LEU . 48.7 m-85 -154.37 25.85 0.47 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.477 -0.328 . . . . 0.0 111.637 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 59' ' ' TYR . . . . . 0.927 ' CD2' HD21 ' B' ' 128' ' ' LEU . 68.8 m-85 -137.7 107.7 6.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.85 179.659 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 60' ' ' GLU . . . . . 0.529 ' HB2' HG22 ' A' ' 62' ' ' THR . 4.3 mm-40 -90.2 98.41 11.75 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.58 179.698 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 61' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -72.56 96.62 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.002 0.43 . . . . 0.0 110.632 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 62' ' ' THR . . . . . 0.408 ' HB ' ' HB2' ' A' ' 60' ' ' GLU . 18.0 m -81.13 123.71 28.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.62 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 63' ' ' LEU . . . . . 0.642 HD11 ' CZ ' ' A' ' 59' ' ' TYR . 5.7 tp -94.99 121.23 36.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.953 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 64' ' ' LEU . . . . . 0.769 HD23 ' N ' ' C' ' 64' ' ' LEU . 0.0 OUTLIER -101.93 -28.07 12.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.638 179.776 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 65' ' ' ASP . . . . . 0.45 ' HB2' ' CG ' ' A' ' 58' ' ' PHE . 0.3 OUTLIER -146.16 -79.76 0.16 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.983 179.89 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 66' ' ' ASN . . . . . . . . . . . . . 3.8 p30 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 -179.915 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 81' ' ' GLY . . . . . 0.713 ' O ' ' HB2' ' D' ' 85' ' ' ALA . . . . . . . . 0 N--CA 1.448 -0.532 0 N-CA-C 111.585 -0.606 . . . . 0.0 111.585 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 82' ' ' LEU . . . . . 0.846 ' N ' HD23 ' D' ' 82' ' ' LEU . 0.4 OUTLIER -88.93 -31.44 18.19 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 121.037 0.446 . . . . 0.0 110.263 179.701 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 83' ' ' LEU . . . . . 0.862 HD23 ' H ' ' D' ' 84' ' ' ALA . 0.3 OUTLIER -67.83 -40.64 83.73 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.18 -179.922 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 84' ' ' ALA . . . . . 0.996 ' HB1' ' HB2' ' D' ' 88' ' ' ALA . . . -93.31 -17.49 23.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.53 -0.759 . . . . 0.0 112.042 -178.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 85' ' ' ALA . . . . . 0.85 ' HB1' ' HB2' ' D' ' 126' ' ' LEU . . . -52.0 -23.43 5.14 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.157 0.503 . . . . 0.0 110.566 -179.679 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 86' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -126.05 -38.4 2.17 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.587 178.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 87' ' ' ARG . . . . . 0.749 ' HB3' ' O ' ' D' ' 83' ' ' LEU . 35.2 ttt180 -62.99 -53.11 59.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.144 178.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 88' ' ' ALA . . . . . 0.996 ' HB2' ' HB1' ' D' ' 84' ' ' ALA . . . -57.77 -43.91 85.82 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.971 179.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 89' ' ' VAL . . . . . 0.618 HG12 ' HB3' ' D' ' 117' ' ' PHE . 38.9 t -72.03 -35.02 52.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.457 179.28 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 90' ' ' SER . . . . . 0.407 ' HA ' ' HB2' ' D' ' 93' ' ' LEU . 8.2 m -75.26 -26.09 58.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.371 179.081 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 91' ' ' GLN . . . . . 0.526 HE21 ' HB3' ' C' ' 36' ' ' SER . 16.6 mt-30 -66.89 -57.29 7.25 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-O 121.369 0.604 . . . . 0.0 109.526 179.289 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 92' ' ' VAL . . . . . 0.926 HG11 ' CD2' ' C' ' 18' ' ' LEU . 9.4 t -65.02 -27.83 43.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.063 -0.971 . . . . 0.0 109.933 179.222 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 93' ' ' LEU . . . . . 0.786 HD21 ' HA ' ' D' ' 114' ' ' HIS . 3.4 mt -66.74 -35.28 79.73 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.485 179.627 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -87.14 -34.42 19.09 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.716 0.293 . . . . 0.0 111.493 -179.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 95' ' ' SER . . . . . 0.821 ' HB2' HD21 ' C' ' 33' ' ' LEU . 2.9 p -79.6 -20.75 46.15 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.888 -179.428 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 96' ' ' LEU . . . . . 0.722 HD13 ' HB3' ' D' ' 110' ' ' LEU . 0.1 OUTLIER -38.04 -50.58 1.36 Allowed 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -179.234 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -69.16 -31.82 70.73 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.058 -179.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 98' ' ' GLU . . . . . 0.807 ' OE2' HD21 ' D' ' 102' ' ' LEU . 0.0 OUTLIER -68.87 -34.91 76.23 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 177.864 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 99' ' ' ILE . . . . . 0.579 HG23 HG21 ' D' ' 103' ' ' THR . 26.9 mt -60.69 -50.1 81.83 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.792 0 CA-C-N 114.454 -1.248 . . . . 0.0 110.174 178.726 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 100' ' ' HIS . . . . . 0.775 ' HB2' HD11 ' D' ' 110' ' ' LEU . 10.9 t-160 -54.59 -39.12 67.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 122.018 0.913 . . . . 0.0 108.645 178.316 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 101' ' ' ALA . . . . . 0.797 ' HB3' ' O ' ' D' ' 98' ' ' GLU . . . -52.39 -45.79 65.99 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 113.748 -1.569 . . . . 0.0 112.194 179.633 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 102' ' ' LEU . . . . . 0.807 HD21 ' OE2' ' D' ' 98' ' ' GLU . 0.4 OUTLIER -117.67 25.33 10.47 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 -177.381 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 103' ' ' THR . . . . . 0.698 HG23 HD12 ' D' ' 102' ' ' LEU . 31.3 p -142.26 -29.64 0.58 Allowed 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.974 -0.29 . . . . 0.0 111.617 179.611 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 37.9 t70 64.79 28.53 12.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.991 0.424 . . . . 0.0 110.078 -179.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 105' ' ' SER . . . . . 0.439 ' HB3' ' CE1' ' C' ' 21' ' ' TYR . 0.1 OUTLIER -49.46 -83.1 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.178 -179.894 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 106' ' ' SER . . . . . . . . . . . . . 5.3 t 165.87 109.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.144 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 107' ' ' GLU . . . . . 0.673 ' HA ' HD12 ' D' ' 110' ' ' LEU . 0.1 OUTLIER -49.01 -38.06 22.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.882 0.372 . . . . 0.0 110.786 -179.833 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.47 -46.14 91.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.103 0.477 . . . . 0.0 109.963 179.201 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 109' ' ' ASP . . . . . 0.807 ' O ' HD12 ' D' ' 113' ' ' LEU . 7.2 m-20 -69.08 -31.78 70.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.829 178.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 110' ' ' LEU . . . . . 0.775 HD11 ' HB2' ' D' ' 100' ' ' HIS . 86.2 mt -67.41 -44.91 77.68 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.233 179.396 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 111' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.93 -38.37 90.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.51 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 112' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -61.67 -43.87 98.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.353 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 113' ' ' LEU . . . . . 0.807 HD12 ' O ' ' D' ' 109' ' ' ASP . 0.4 OUTLIER -70.79 -38.75 73.37 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.825 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 114' ' ' HIS . . . . . 0.786 ' HA ' HD21 ' D' ' 93' ' ' LEU . 0.0 OUTLIER -58.71 -33.68 70.46 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 178.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 115' ' ' SER . . . . . . . . . . . . . 23.9 p -72.66 -36.93 68.08 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 177.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 116' ' ' VAL . . . . . 0.749 ' O ' HD22 ' D' ' 122' ' ' LEU . 3.5 t -62.71 -30.74 50.06 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 CA-C-N 115.208 -0.905 . . . . 0.0 109.273 178.047 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 117' ' ' PHE . . . . . 0.636 ' CZ ' HD11 ' C' ' 18' ' ' LEU . 13.6 m-30 -93.59 -26.92 16.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.516 -179.632 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 118' ' ' GLN . . . . . 0.455 ' NE2' ' CD2' ' D' ' 114' ' ' HIS . 0.0 OUTLIER -69.15 -30.61 68.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.838 0.352 . . . . 0.0 111.158 -179.56 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -45.25 115.24 0.88 Allowed 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.372 -179.714 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 120' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -60.33 -35.67 76.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.823 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 121' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -64.9 -34.96 79.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.823 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 122' ' ' LEU . . . . . 0.865 ' O ' HD12 ' D' ' 126' ' ' LEU . 28.1 tp -56.54 -50.21 72.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.326 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 123' ' ' HIS . . . . . 0.444 ' HA ' HD13 ' D' ' 126' ' ' LEU . 13.7 m170 -51.79 -27.88 13.66 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.13 0.491 . . . . 0.0 110.228 178.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 124' ' ' THR . . . . . 0.747 HG22 HD11 ' D' ' 128' ' ' LEU . 3.9 m -74.73 -35.51 62.67 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 115.641 -0.708 . . . . 0.0 109.869 179.36 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 125' ' ' LEU . . . . . 0.726 HD21 HE22 ' C' ' 56' ' ' GLN . 16.2 mt -63.64 -44.83 92.7 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.78 179.683 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 126' ' ' LEU . . . . . 0.865 HD12 ' O ' ' D' ' 122' ' ' LEU . 2.6 mp -67.04 -42.93 83.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.811 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 127' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -59.7 -53.25 60.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.9 179.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 128' ' ' LEU . . . . . 0.962 HD21 ' CD2' ' A' ' 59' ' ' TYR . 4.1 mt -69.79 -29.37 66.67 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.256 179.514 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 129' ' ' TYR . . . . . 0.783 ' HA ' HD12 ' C' ' 48' ' ' LEU . 4.8 t80 -55.15 -52.28 63.78 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.18 -179.398 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 130' ' ' ASP . . . . . 0.502 ' HB3' ' CD2' ' D' ' 82' ' ' LEU . 7.5 t70 -77.03 -32.15 56.79 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.172 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 131' ' ' LYS . . . . . . . . . . . . . 7.8 tttt -54.57 -51.51 65.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.934 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 132' ' ' ILE . . . . . 0.729 ' CG2' HD13 ' A' ' 48' ' ' LEU . 3.0 mt -77.72 -42.7 29.28 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 CA-C-O 120.981 0.42 . . . . 0.0 110.781 179.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 133' ' ' ASN . . . . . . . . . . . . . 58.3 t-20 -56.64 -25.93 54.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.748 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 134' ' ' THR . . . . . 0.459 HG22 ' O ' ' D' ' 134' ' ' THR . 97.7 m -83.39 -3.41 57.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.033 179.733 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 135' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 79.77 -9.81 1.39 Allowed 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.657 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 136' ' ' SER . . . . . . . . . . . . . 2.8 t . . . . . 0 C--N 1.331 -0.236 0 CA-C-O 120.783 0.325 . . . . 0.0 111.192 179.946 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.416 HH21 HG22 ' B' ' 116' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.87 -38.06 84.28 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 121.084 0.469 . . . . 0.0 110.004 179.202 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 40.9 mm-40 -75.94 -32.26 59.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.228 179.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 -75.42 -32.2 60.62 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.235 179.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.6 p -71.57 -47.15 56.82 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.253 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.541 ' HA ' HD23 ' A' ' 15' ' ' LEU . 0.7 OUTLIER -63.19 -36.75 84.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.897 0.38 . . . . 0.0 110.189 179.597 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 -72.96 -25.52 61.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.177 179.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.796 ' CB ' HG11 ' B' ' 116' ' ' VAL . . . -78.21 -55.39 5.3 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 109.543 -0.539 . . . . 0.0 109.543 179.149 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.807 ' O ' HD12 ' A' ' 41' ' ' ILE . 0.4 OUTLIER -61.08 -28.67 69.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.21 179.477 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 18.4 t-160 -73.64 -44.47 56.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.123 0.487 . . . . 0.0 109.848 179.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.856 HD22 ' CZ ' ' A' ' 21' ' ' TYR . 1.3 mt -61.76 -49.5 76.15 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.703 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 1.065 HD22 HG11 ' B' ' 92' ' ' VAL . 1.1 mt -61.77 -32.87 73.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.296 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.456 ' CG ' HG21 ' A' ' 41' ' ' ILE . 5.5 mt-10 -58.7 -48.07 82.38 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.182 0.515 . . . . 0.0 110.12 179.033 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -70.91 -31.72 68.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.873 179.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.856 ' CZ ' HD22 ' A' ' 17' ' ' LEU . 16.5 m-30 -64.83 -47.53 77.65 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.762 179.715 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.421 ' HB3' HG21 ' A' ' 37' ' ' ILE . 0.9 OUTLIER -61.31 -41.87 97.71 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.757 0.313 . . . . 0.0 110.464 179.753 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 52.1 p -57.05 -38.92 73.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.276 179.244 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.9 ptmt -98.87 1.07 45.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.586 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 1.005 HD12 HD11 ' A' ' 37' ' ' ILE . 0.1 OUTLIER -89.2 -67.17 0.86 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.964 0.412 . . . . 0.0 111.258 -179.641 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.493 ' HB3' ' HB2' ' A' ' 34' ' ' ARG . 2.2 p -59.85 -159.24 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.122 -179.49 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.409 ' OE1' ' NH1' ' A' ' 31' ' ' ARG . 1.6 mp0 59.43 28.54 17.94 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 120.962 0.41 . . . . 0.0 110.619 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.701 HG23 ' H ' ' A' ' 29' ' ' GLU . 4.3 t -150.02 -60.49 0.2 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.201 -179.625 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.701 ' H ' HG23 ' A' ' 28' ' ' THR . 22.3 pt-20 -173.66 27.86 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.613 -0.722 . . . . 0.0 111.648 -179.256 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.507 ' HB2' HD22 ' A' ' 25' ' ' LEU . 6.5 m-20 -147.53 54.85 1.07 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.034 0.445 . . . . 0.0 110.87 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.409 ' NH1' ' OE1' ' A' ' 27' ' ' GLN . 0.4 OUTLIER -64.84 -48.75 73.2 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.881 179.52 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.84 -47.32 83.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.831 178.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.58 HD21 ' CB ' ' B' ' 95' ' ' SER . 9.0 tp -54.97 -35.06 63.89 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.035 179.027 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.493 ' HB2' ' HB3' ' A' ' 26' ' ' SER . 6.4 ttp180 -60.55 -43.72 96.92 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.417 178.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.46 ' HA ' ' HG2' ' A' ' 38' ' ' GLU . 1.0 OUTLIER -61.02 -33.5 73.36 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.329 179.141 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.511 ' HB3' ' HB3' ' B' ' 91' ' ' GLN . 0.6 OUTLIER -66.8 -45.7 77.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.297 0.57 . . . . 0.0 110.424 179.51 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 1.005 HD11 HD12 ' A' ' 25' ' ' LEU . 58.4 mt -59.22 -49.57 82.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.753 179.647 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.528 ' HA ' HG12 ' A' ' 41' ' ' ILE . 7.2 pt-20 -59.89 -33.25 71.6 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.525 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.488 ' HB3' ' HB1' ' B' ' 88' ' ' ALA . 10.8 mtt180 -55.65 -53.11 60.55 Favored 'General case' 0 CA--C 1.516 -0.357 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 178.566 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.661 HG11 ' CZ ' ' B' ' 117' ' ' PHE . 61.7 t -60.02 -30.24 45.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.0 178.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.807 HD12 ' O ' ' A' ' 15' ' ' LEU . 9.4 mm -70.02 -58.12 6.32 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-N 116.094 -0.503 . . . . 0.0 112.314 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.2 p -61.35 -46.65 89.35 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-O 120.891 0.377 . . . . 0.0 110.919 -178.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.795 HG23 ' CE2' ' B' ' 129' ' ' TYR . 14.0 mt -59.73 -34.2 54.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.37 179.508 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.792 ' HB3' HD22 ' A' ' 15' ' ' LEU . 2.2 m-85 -72.35 -56.53 5.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.512 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.454 ' HG2' ' O ' ' A' ' 41' ' ' ILE . 6.5 pt20 -79.29 -0.51 32.69 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -177.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.495 ' CB ' ' CE1' ' B' ' 129' ' ' TYR . 0.2 OUTLIER -50.57 165.18 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.826 0.346 . . . . 0.0 111.077 -179.849 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -77.8 -41.69 36.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.199 -179.636 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.923 HD12 ' HA ' ' B' ' 129' ' ' TYR . 0.6 OUTLIER -70.08 -47.1 63.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.458 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.918 ' CE2' HD11 ' A' ' 53' ' ' ILE . 55.7 t80 -51.25 -56.12 14.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.911 -179.53 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -54.87 -48.49 72.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.013 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.67 -35.83 77.23 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.228 0.537 . . . . 0.0 110.506 179.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.88 HD11 ' HA ' ' B' ' 125' ' ' LEU . 0.0 OUTLIER -70.04 -39.44 75.72 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.91 179.48 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.918 HD11 ' CE2' ' A' ' 49' ' ' PHE . 59.2 mt -58.25 -35.86 55.27 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 178.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -66.17 -41.12 90.77 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.246 178.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.612 HD11 HG12 ' D' ' 132' ' ' ILE . 77.1 mt -53.49 -40.54 41.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.508 179.003 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -55.68 -20.07 12.91 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.584 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.411 ' O ' ' CG ' ' A' ' 58' ' ' PHE . 13.3 pt-20 -43.53 -34.64 1.42 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.739 0.304 . . . . 0.0 111.334 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.481 ' CD1' ' HB2' ' C' ' 65' ' ' ASP . 68.1 m-85 -158.79 27.74 0.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.262 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.942 ' CD2' HD21 ' D' ' 128' ' ' LEU . 10.8 m-85 -132.88 77.12 1.72 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.877 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.406 ' HB2' ' HB ' ' C' ' 62' ' ' THR . 1.4 mt-10 -67.11 94.48 0.35 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.672 0.272 . . . . 0.0 110.63 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.711 HG12 HG13 ' C' ' 61' ' ' VAL . 0.2 OUTLIER -72.57 106.44 2.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.92 0.39 . . . . 0.0 111.267 -179.885 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.5 m -91.92 118.51 30.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.409 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.506 HD11 ' OH ' ' C' ' 59' ' ' TYR . 0.2 OUTLIER -90.53 127.38 36.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.826 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.742 ' N ' HD23 ' A' ' 64' ' ' LEU . 0.1 OUTLIER -111.05 -22.41 11.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.991 -179.817 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.406 ' OD1' ' CE2' ' C' ' 58' ' ' PHE . 0.4 OUTLIER -82.98 -4.98 58.89 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.873 179.495 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 . . . . . 0 C--N 1.332 -0.157 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.272 -179.971 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.667 0 N-CA-C 110.007 -1.237 . . . . 0.0 110.007 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.816 ' N ' HD23 ' B' ' 82' ' ' LEU . 0.3 OUTLIER -87.59 -34.39 18.54 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 178.349 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . 1.004 HD23 ' H ' ' B' ' 84' ' ' ALA . 0.3 OUTLIER -64.95 -48.6 73.51 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.353 179.891 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 1.004 ' H ' HD23 ' B' ' 83' ' ' LEU . . . -71.01 -24.68 62.42 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.921 -179.56 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 85' ' ' ALA . . . . . 0.927 ' HB1' ' HB2' ' B' ' 126' ' ' LEU . . . -53.03 -25.34 12.08 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.244 179.632 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -124.97 -43.64 1.96 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.435 178.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 87' ' ' ARG . . . . . 0.711 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 14.1 ttt180 -58.7 -51.02 71.72 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.003 178.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . 0.721 ' HB3' ' O ' ' B' ' 84' ' ' ALA . . . -61.81 -45.55 93.35 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.954 179.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 89' ' ' VAL . . . . . 0.567 HG13 ' CD2' ' B' ' 117' ' ' PHE . 32.3 t -58.43 -56.08 18.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.053 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.91 -21.08 66.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.17 179.685 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 91' ' ' GLN . . . . . 0.511 ' HB3' ' HB3' ' A' ' 36' ' ' SER . 0.3 OUTLIER -67.24 -58.02 5.62 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-O 121.262 0.553 . . . . 0.0 110.314 -179.933 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 92' ' ' VAL . . . . . 1.065 HG11 HD22 ' A' ' 18' ' ' LEU . 6.4 t -68.25 -27.44 37.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.176 179.45 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . 0.703 HD11 ' HB2' ' B' ' 117' ' ' PHE . 0.7 OUTLIER -70.9 -28.94 64.9 Favored 'General case' 0 CA--C 1.528 0.1 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.199 179.85 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -84.82 -44.57 13.15 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.879 0.371 . . . . 0.0 111.232 -179.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 95' ' ' SER . . . . . 0.58 ' CB ' HD21 ' A' ' 33' ' ' LEU . 0.6 OUTLIER -80.5 -13.95 58.66 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.064 -0.516 . . . . 0.0 112.157 -179.243 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . 0.978 HD22 HD22 ' B' ' 110' ' ' LEU . 0.2 OUTLIER -38.78 -52.5 1.71 Allowed 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -179.331 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -70.77 -28.01 64.36 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.061 -179.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . 0.816 ' O ' ' HB3' ' B' ' 101' ' ' ALA . 0.1 OUTLIER -69.67 -34.15 73.58 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 177.78 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 99' ' ' ILE . . . . . 0.607 HG23 HG21 ' B' ' 103' ' ' THR . 61.6 mt -62.75 -49.53 83.32 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.911 0 CA-C-N 114.586 -1.188 . . . . 0.0 109.808 178.471 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . 0.922 ' HB2' HD11 ' B' ' 110' ' ' LEU . 2.4 t-160 -56.72 -32.43 65.51 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 178.077 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . 0.816 ' HB3' ' O ' ' B' ' 98' ' ' GLU . . . -58.3 -45.66 87.57 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.523 -1.217 . . . . 0.0 112.024 179.559 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 102' ' ' LEU . . . . . 0.662 HD12 HG23 ' B' ' 103' ' ' THR . 0.4 OUTLIER -116.68 26.03 10.14 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.696 -0.684 . . . . 0.0 112.707 -177.419 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 103' ' ' THR . . . . . 0.662 HG23 HD12 ' B' ' 102' ' ' LEU . 31.1 p -140.45 -30.46 0.66 Allowed 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 121.07 -0.252 . . . . 0.0 111.521 179.705 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 67.1 26.97 8.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.934 0.397 . . . . 0.0 110.516 -179.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 105' ' ' SER . . . . . 0.418 ' HB3' ' CE1' ' A' ' 21' ' ' TYR . 18.8 m -52.98 -77.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.683 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 6.5 t 167.32 105.16 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.366 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -47.45 -34.99 7.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.92 0.391 . . . . 0.0 110.515 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.08 -42.48 84.6 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.676 178.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 109' ' ' ASP . . . . . 0.637 ' O ' HD12 ' B' ' 113' ' ' LEU . 8.4 m-20 -64.13 -36.79 85.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.85 178.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 110' ' ' LEU . . . . . 0.978 HD22 HD22 ' B' ' 96' ' ' LEU . 33.5 mt -63.77 -37.84 88.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.854 179.123 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -62.76 -43.93 97.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.538 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 112' ' ' PHE . . . . . 0.651 ' O ' HG23 ' B' ' 116' ' ' VAL . 2.0 t80 -58.81 -47.27 85.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.191 179.499 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 113' ' ' LEU . . . . . 0.706 HD11 ' CD1' ' A' ' 17' ' ' LEU . 0.6 OUTLIER -70.07 -32.92 71.24 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.132 -0.485 . . . . 0.0 109.83 179.306 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 114' ' ' HIS . . . . . 0.69 ' O ' ' HG2' ' B' ' 118' ' ' GLN . 1.5 m-70 -53.86 -41.54 67.61 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 178.488 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . 0.535 ' HA ' ' HG2' ' B' ' 118' ' ' GLN . 58.7 m -78.41 -33.9 48.37 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.34 179.117 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 116' ' ' VAL . . . . . 0.821 ' O ' HD22 ' B' ' 122' ' ' LEU . 52.0 t -56.11 -24.75 18.33 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.113 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 178.785 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 117' ' ' PHE . . . . . 0.703 ' HB2' HD11 ' B' ' 93' ' ' LEU . 0.6 OUTLIER -101.53 -26.75 13.44 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.49 179.926 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 118' ' ' GLN . . . . . 0.69 ' HG2' ' O ' ' B' ' 114' ' ' HIS . 35.0 mm-40 -56.89 -44.43 82.28 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.086 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -37.32 125.77 1.02 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.17 -179.139 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.73 -46.17 63.53 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.472 179.634 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 121' ' ' HIS . . . . . 0.402 ' O ' ' HB ' ' B' ' 124' ' ' THR . 0.5 OUTLIER -55.79 -33.72 64.64 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.368 179.319 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . 0.821 HD22 ' O ' ' B' ' 116' ' ' VAL . 37.2 tp -55.7 -49.28 73.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.133 179.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 123' ' ' HIS . . . . . 0.574 ' HA ' ' CD1' ' B' ' 126' ' ' LEU . 0.0 OUTLIER -52.32 -28.5 19.47 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.102 0.477 . . . . 0.0 110.096 178.787 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 124' ' ' THR . . . . . 0.584 HG21 HG23 ' A' ' 61' ' ' VAL . 10.6 m -75.52 -32.15 60.39 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.793 179.208 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . 0.88 ' HA ' HD11 ' A' ' 52' ' ' LEU . 29.4 mt -64.92 -50.44 66.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.829 179.565 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . 0.927 ' HB2' ' HB1' ' B' ' 85' ' ' ALA . 1.0 OUTLIER -63.78 -41.85 97.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.064 -179.729 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -60.86 -51.21 70.26 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.902 0.382 . . . . 0.0 110.903 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . 0.942 HD21 ' CD2' ' C' ' 59' ' ' TYR . 48.2 mt -72.38 -29.95 64.24 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.512 179.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 129' ' ' TYR . . . . . 0.923 ' HA ' HD12 ' A' ' 48' ' ' LEU . 0.7 OUTLIER -55.73 -53.06 61.29 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.221 -179.371 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 130' ' ' ASP . . . . . 0.425 ' HB3' ' CD2' ' B' ' 82' ' ' LEU . 3.7 m-20 -77.91 -31.5 51.19 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.324 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.45 -49.38 70.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.77 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 132' ' ' ILE . . . . . 0.635 ' HB ' HD21 ' A' ' 48' ' ' LEU . 4.9 mt -78.15 -41.15 26.56 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 CA-C-O 121.003 0.43 . . . . 0.0 110.651 179.529 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 133' ' ' ASN . . . . . . . . . . . . . 44.9 t-20 -58.13 -25.68 61.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.937 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 134' ' ' THR . . . . . 0.507 HG22 ' O ' ' B' ' 134' ' ' THR . 95.7 m -83.4 0.32 46.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.195 179.764 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 135' ' ' LYS . . . . . 0.422 ' CB ' ' O ' ' B' ' 134' ' ' THR . 6.9 mttp 81.59 -14.19 0.82 Allowed 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.847 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 C--N 1.331 -0.213 0 CA-C-O 120.799 0.333 . . . . 0.0 111.18 179.959 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.95 -37.76 88.72 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 179.131 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 51.0 mm-40 -73.82 -30.97 62.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.841 178.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 10' ' ' ASP . . . . . 0.541 ' HB3' HG22 ' D' ' 116' ' ' VAL . 3.6 m-20 -78.53 -29.58 46.57 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.756 179.006 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 11' ' ' THR . . . . . 0.572 HG23 ' CD2' ' C' ' 44' ' ' PHE . 97.7 m -72.06 -49.6 35.21 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.427 179.575 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 12' ' ' GLN . . . . . 0.46 ' HA ' HD23 ' C' ' 15' ' ' LEU . 0.6 OUTLIER -67.28 -34.71 77.98 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.942 0.401 . . . . 0.0 110.049 179.431 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 13' ' ' ARG . . . . . 0.419 ' HG2' ' CE2' ' D' ' 112' ' ' PHE . 12.1 ttp180 -74.3 -25.46 59.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.869 179.054 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 14' ' ' ALA . . . . . 0.853 ' CB ' HG11 ' D' ' 116' ' ' VAL . . . -78.46 -54.96 5.6 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.625 178.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 15' ' ' LEU . . . . . 0.842 ' HA ' HD12 ' C' ' 18' ' ' LEU . 0.4 OUTLIER -61.93 -24.44 66.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.662 179.145 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 16' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -73.5 -47.87 37.73 Favored 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 178.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . 0.964 HD22 ' CE1' ' C' ' 21' ' ' TYR . 3.5 mt -61.76 -34.94 76.73 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.471 178.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . 0.916 ' CD2' HG11 ' D' ' 92' ' ' VAL . 63.3 mt -62.78 -47.58 82.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.715 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . 0.429 ' HG3' HD12 ' C' ' 41' ' ' ILE . 49.0 mt-10 -59.12 -40.25 84.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -74.79 -36.35 62.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.192 179.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 21' ' ' TYR . . . . . 0.964 ' CE1' HD22 ' C' ' 17' ' ' LEU . 10.6 m-30 -64.89 -46.83 80.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.521 179.741 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 22' ' ' ARG . . . . . 0.477 ' HA ' HD13 ' C' ' 37' ' ' ILE . 45.5 ptt85 -61.74 -44.9 96.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.6 179.758 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 23' ' ' SER . . . . . 0.415 ' N ' ' HG3' ' C' ' 22' ' ' ARG . 2.8 p -57.43 -34.71 69.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.689 179.7 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 24' ' ' LYS . . . . . 0.419 ' HG3' ' HB ' ' D' ' 103' ' ' THR . 5.1 ptmt -99.34 -7.65 25.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.586 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 25' ' ' LEU . . . . . 0.743 ' CD1' HD11 ' C' ' 37' ' ' ILE . 0.6 OUTLIER -82.46 -68.65 0.68 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.86 0.362 . . . . 0.0 110.927 -179.929 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . 0.48 ' HB2' ' HB2' ' C' ' 34' ' ' ARG . 32.6 t -61.99 -150.99 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.719 -179.542 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 27' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 57.15 24.33 9.61 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 121.023 0.439 . . . . 0.0 110.106 -179.385 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 28' ' ' THR . . . . . 0.603 HG23 ' N ' ' C' ' 29' ' ' GLU . 7.7 t -150.35 -54.54 0.16 Allowed 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.706 -179.098 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 29' ' ' GLU . . . . . 0.603 ' N ' HG23 ' C' ' 28' ' ' THR . 12.5 pt-20 -175.81 28.11 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.573 -179.413 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 30' ' ' ASP . . . . . 0.51 ' CB ' HD22 ' C' ' 25' ' ' LEU . 1.7 m-20 -142.13 56.2 1.46 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.979 0.419 . . . . 0.0 111.035 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 -66.99 -53.05 35.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.11 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.17 -50.78 72.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.964 179.003 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 33' ' ' LEU . . . . . 0.593 HD11 ' CB ' ' D' ' 95' ' ' SER . 15.7 tp -53.42 -33.11 52.69 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.086 179.083 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 34' ' ' ARG . . . . . 0.693 ' HA ' HD12 ' C' ' 37' ' ' ILE . 6.4 ttp180 -60.4 -47.98 83.76 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.355 178.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 21.2 m -56.42 -34.8 67.12 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.458 179.05 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 36' ' ' SER . . . . . 0.494 ' O ' ' HG2' ' C' ' 39' ' ' ARG . 0.7 OUTLIER -64.66 -48.74 73.67 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 121.077 0.465 . . . . 0.0 110.481 179.583 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 37' ' ' ILE . . . . . 0.743 HD11 ' CD1' ' C' ' 25' ' ' LEU . 5.7 mt -60.97 -39.91 83.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.332 0.587 . . . . 0.0 109.584 178.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 38' ' ' GLU . . . . . 0.409 ' HA ' HG12 ' C' ' 41' ' ' ILE . 39.9 mt-10 -61.0 -51.23 70.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.897 -1.047 . . . . 0.0 111.833 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 39' ' ' ARG . . . . . 0.712 ' HG3' ' HB1' ' D' ' 88' ' ' ALA . 4.3 ptp85 -55.28 -41.46 72.31 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.581 -0.448 . . . . 0.0 110.118 -179.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . 0.431 ' O ' ' HB2' ' C' ' 44' ' ' PHE . 93.5 t -60.98 -36.99 76.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 178.344 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 41' ' ' ILE . . . . . 0.588 HD11 ' CB ' ' C' ' 18' ' ' LEU . 10.5 mm -58.53 -58.86 4.81 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.103 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.247 179.524 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 18.8 p -58.94 -46.58 87.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.899 0.38 . . . . 0.0 110.649 -179.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 43' ' ' ILE . . . . . 0.737 HG23 ' CE2' ' D' ' 129' ' ' TYR . 11.1 mt -59.79 -34.96 57.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.158 179.308 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 44' ' ' PHE . . . . . 0.659 ' HB3' HD22 ' C' ' 15' ' ' LEU . 1.5 m-85 -72.42 -55.56 6.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.091 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 45' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -77.23 -1.79 31.36 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 -178.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 46' ' ' SER . . . . . . . . . . . . . 1.4 t -54.73 131.66 44.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.811 0.338 . . . . 0.0 111.037 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -53.44 -32.74 51.2 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . 0.709 ' O ' ' HB3' ' C' ' 51' ' ' ALA . 0.2 OUTLIER -74.64 -48.52 25.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.773 179.435 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 49' ' ' PHE . . . . . 0.658 ' HZ ' HD11 ' D' ' 122' ' ' LEU . 47.1 t80 -50.46 -53.12 32.18 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.583 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 22.6 mm-40 -58.08 -24.74 59.74 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.054 0.454 . . . . 0.0 110.046 178.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 51' ' ' ALA . . . . . 0.709 ' HB3' ' O ' ' C' ' 48' ' ' LEU . . . -63.0 -53.56 52.01 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.929 179.761 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 52' ' ' LEU . . . . . 0.737 ' N ' HD13 ' C' ' 52' ' ' LEU . 0.0 OUTLIER -61.29 -44.03 97.9 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 120.236 -0.585 . . . . 0.0 110.365 179.824 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 53' ' ' ILE . . . . . 0.595 HG12 HD13 ' D' ' 125' ' ' LEU . 39.2 mt -51.49 -39.1 21.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-O 121.059 0.457 . . . . 0.0 110.306 179.481 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . 0.402 ' O ' ' CG ' ' C' ' 57' ' ' GLU . 3.3 t0 -73.46 -35.72 65.76 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.101 179.148 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 55' ' ' ILE . . . . . 0.637 HG22 ' HB2' ' C' ' 59' ' ' TYR . 41.5 mt -68.16 -32.33 55.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.862 179.618 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.38 -20.12 4.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.926 -179.772 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 57' ' ' GLU . . . . . 0.403 ' O ' ' CD1' ' C' ' 58' ' ' PHE . 0.2 OUTLIER -44.02 -46.64 8.48 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 111.712 0.264 . . . . 0.0 111.712 -179.618 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 58' ' ' PHE . . . . . 0.415 ' HB3' ' HG ' ' A' ' 64' ' ' LEU . 74.2 m-85 -152.55 40.02 0.58 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.683 0.277 . . . . 0.0 111.489 -179.609 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 59' ' ' TYR . . . . . 0.942 ' CD2' HD21 ' B' ' 128' ' ' LEU . 51.7 m-85 -134.13 80.53 1.87 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.735 179.64 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -71.96 104.14 3.43 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.629 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 61' ' ' VAL . . . . . 0.711 HG13 HG12 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -85.37 96.48 4.98 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 CA-C-O 120.909 0.385 . . . . 0.0 110.724 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 62' ' ' THR . . . . . 0.406 ' HB ' ' HB2' ' A' ' 60' ' ' GLU . 15.7 m -71.72 113.16 8.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.084 179.503 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 63' ' ' LEU . . . . . 0.868 HD11 ' CE2' ' A' ' 59' ' ' TYR . 3.5 mp -86.25 126.1 34.04 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 -179.66 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 64' ' ' LEU . . . . . 0.786 HD23 ' N ' ' C' ' 64' ' ' LEU . 0.1 OUTLIER -108.32 -23.5 11.88 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.476 179.728 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 65' ' ' ASP . . . . . 0.488 ' O ' ' ND2' ' C' ' 66' ' ' ASN . 29.0 t0 -118.08 -44.55 2.69 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.645 179.571 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 66' ' ' ASN . . . . . 0.524 ' HA ' HD23 ' C' ' 63' ' ' LEU . 5.7 m-80 . . . . . 0 N--CA 1.466 0.347 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.785 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 81' ' ' GLY . . . . . 0.43 ' C ' HD23 ' D' ' 82' ' ' LEU . . . . . . . . 0 N--CA 1.444 -0.778 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 82' ' ' LEU . . . . . 0.913 ' N ' HD23 ' D' ' 82' ' ' LEU . 0.3 OUTLIER -87.92 -24.96 23.46 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.847 0.356 . . . . 0.0 110.803 179.837 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 83' ' ' LEU . . . . . 0.986 HD23 ' H ' ' D' ' 84' ' ' ALA . 0.2 OUTLIER -67.37 -47.72 69.56 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.4 -179.662 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 84' ' ' ALA . . . . . 1.043 ' HB1' ' HB2' ' D' ' 88' ' ' ALA . . . -84.87 -17.37 38.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.54 -0.754 . . . . 0.0 111.51 -179.33 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 85' ' ' ALA . . . . . 0.839 ' O ' HD13 ' D' ' 126' ' ' LEU . . . -51.81 -24.52 6.17 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.345 -0.542 . . . . 0.0 109.749 179.283 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 86' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -126.88 -36.69 2.18 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.004 178.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 87' ' ' ARG . . . . . 0.751 ' HB3' ' O ' ' D' ' 83' ' ' LEU . 19.4 ttt85 -67.5 -41.53 84.34 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.577 179.479 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 88' ' ' ALA . . . . . 1.043 ' HB2' ' HB1' ' D' ' 84' ' ' ALA . . . -66.22 -43.02 87.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.445 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 89' ' ' VAL . . . . . 0.814 HG13 ' CD1' ' D' ' 117' ' ' PHE . 64.7 t -70.41 -46.46 70.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.099 179.018 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 90' ' ' SER . . . . . 0.422 ' HA ' ' HB2' ' D' ' 93' ' ' LEU . 37.9 t -65.41 -25.09 67.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.537 179.193 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 91' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -67.5 -56.91 7.66 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.64 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 92' ' ' VAL . . . . . 0.916 HG11 ' CD2' ' C' ' 18' ' ' LEU . 6.4 t -67.37 -28.1 41.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.016 179.089 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 93' ' ' LEU . . . . . 0.784 HD21 ' HA ' ' D' ' 114' ' ' HIS . 1.6 mt -64.29 -36.22 83.41 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.017 179.385 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -84.61 -35.11 22.93 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.865 0.364 . . . . 0.0 110.995 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 95' ' ' SER . . . . . 0.593 ' CB ' HD11 ' C' ' 33' ' ' LEU . 0.1 OUTLIER -80.24 -26.43 39.06 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.104 -0.498 . . . . 0.0 112.13 -179.335 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 96' ' ' LEU . . . . . 0.975 HD22 HD22 ' D' ' 110' ' ' LEU . 0.2 OUTLIER -34.71 -52.3 0.52 Allowed 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 112.581 0.585 . . . . 0.0 112.581 -178.806 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -69.86 -30.39 67.84 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.911 0.386 . . . . 0.0 111.007 -179.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 98' ' ' GLU . . . . . 0.813 ' OE2' HD21 ' D' ' 102' ' ' LEU . 0.0 OUTLIER -68.99 -33.96 74.52 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 177.546 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 99' ' ' ILE . . . . . 0.574 ' O ' HG23 ' D' ' 103' ' ' THR . 4.8 mt -61.57 -49.54 83.98 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.761 0 CA-C-N 114.47 -1.241 . . . . 0.0 110.079 178.554 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 100' ' ' HIS . . . . . 0.861 ' HB2' HD11 ' D' ' 110' ' ' LEU . 2.0 t-160 -57.68 -33.39 68.3 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 178.472 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 101' ' ' ALA . . . . . 0.788 ' HB3' ' O ' ' D' ' 98' ' ' GLU . . . -57.07 -45.26 83.43 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 114.529 -1.214 . . . . 0.0 111.962 179.47 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 102' ' ' LEU . . . . . 0.813 HD21 ' OE2' ' D' ' 98' ' ' GLU . 0.4 OUTLIER -117.74 30.96 6.97 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.617 -0.72 . . . . 0.0 112.671 -177.423 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 103' ' ' THR . . . . . 0.692 HG23 HD12 ' D' ' 102' ' ' LEU . 31.2 p -145.83 -34.02 0.32 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.638 0.256 . . . . 0.0 111.393 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 70.9 27.2 3.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.783 0.325 . . . . 0.0 110.402 -179.537 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 105' ' ' SER . . . . . . . . . . . . . 11.3 m -53.8 -76.88 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.733 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 106' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 166.84 103.91 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.424 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -47.34 -30.87 3.46 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.862 0.363 . . . . 0.0 110.535 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 11.4 mmtm -69.0 -44.7 72.27 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 178.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 109' ' ' ASP . . . . . 0.603 ' O ' HD12 ' D' ' 113' ' ' LEU . 1.2 m-20 -64.52 -36.06 82.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.678 178.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 110' ' ' LEU . . . . . 0.975 HD22 HD22 ' D' ' 96' ' ' LEU . 27.1 mt -62.08 -39.9 93.98 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.003 179.146 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 111' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.16 -41.43 97.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.472 179.672 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 112' ' ' PHE . . . . . 0.437 ' O ' HG23 ' D' ' 116' ' ' VAL . 2.0 t80 -58.56 -42.53 88.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.211 179.508 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 113' ' ' LEU . . . . . 0.703 HD11 ' CD1' ' C' ' 17' ' ' LEU . 0.5 OUTLIER -72.82 -32.87 65.82 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.57 179.821 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 114' ' ' HIS . . . . . 0.93 ' CD2' HD12 ' D' ' 96' ' ' LEU . 41.2 m170 -58.12 -34.98 70.82 Favored 'General case' 0 CA--C 1.516 -0.331 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 178.169 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 115' ' ' SER . . . . . 0.403 ' HA ' ' HB2' ' D' ' 118' ' ' GLN . 65.9 m -74.28 -38.56 63.36 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.215 178.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 116' ' ' VAL . . . . . 0.853 HG11 ' CB ' ' C' ' 14' ' ' ALA . 54.2 t -60.6 -23.7 29.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.965 178.473 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 117' ' ' PHE . . . . . 0.814 ' CD1' HG13 ' D' ' 89' ' ' VAL . 28.8 m-85 -103.37 -30.43 10.6 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.197 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 118' ' ' GLN . . . . . 0.508 ' NE2' HD11 ' D' ' 93' ' ' LEU . 0.0 OUTLIER -63.57 -32.08 73.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.447 -179.12 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 119' ' ' ASP . . . . . 0.4 ' HB3' ' HB2' ' D' ' 122' ' ' LEU . 1.1 t70 -43.89 122.69 2.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.578 -179.494 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 120' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.23 -47.57 79.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.92 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 121' ' ' HIS . . . . . 0.416 ' O ' ' HB ' ' D' ' 124' ' ' THR . 10.4 m170 -55.2 -33.2 62.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.669 179.771 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 122' ' ' LEU . . . . . 0.839 HD22 ' O ' ' D' ' 116' ' ' VAL . 51.1 tp -55.68 -44.7 77.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.92 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 123' ' ' HIS . . . . . 1.045 ' HA ' HD12 ' D' ' 126' ' ' LEU . 0.0 OUTLIER -59.79 -23.31 63.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.951 0.405 . . . . 0.0 110.025 179.362 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 124' ' ' THR . . . . . 0.667 HG21 ' CG2' ' C' ' 61' ' ' VAL . 19.4 m -77.8 -34.73 52.04 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.822 -0.627 . . . . 0.0 109.694 178.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 125' ' ' LEU . . . . . 0.818 HD12 HD12 ' D' ' 122' ' ' LEU . 9.5 mt -69.58 -40.68 76.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.194 178.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 126' ' ' LEU . . . . . 1.045 HD12 ' HA ' ' D' ' 123' ' ' HIS . 1.2 mt -65.48 -45.9 81.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.09 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 127' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -65.68 -41.77 92.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.889 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 128' ' ' LEU . . . . . 0.942 HD21 ' CD2' ' A' ' 59' ' ' TYR . 20.2 mt -75.31 -30.72 60.43 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 129' ' ' TYR . . . . . 0.737 ' CE2' HG23 ' C' ' 43' ' ' ILE . 0.1 OUTLIER -62.62 -53.56 52.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.358 -179.049 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 130' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -77.53 -31.46 53.4 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.826 -179.176 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 131' ' ' LYS . . . . . 0.829 ' O ' HG22 ' D' ' 134' ' ' THR . 0.0 OUTLIER -60.31 -41.3 93.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.656 0.265 . . . . 0.0 110.849 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 132' ' ' ILE . . . . . 0.612 HG12 HD11 ' A' ' 55' ' ' ILE . 8.0 mt -81.54 -43.31 20.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.04 0.448 . . . . 0.0 110.393 179.437 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 133' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -55.14 -24.64 27.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.708 179.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 134' ' ' THR . . . . . 0.829 HG22 ' O ' ' D' ' 131' ' ' LYS . 1.3 t -71.46 -6.94 44.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.052 179.721 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 135' ' ' LYS . . . . . 0.468 ' CB ' ' O ' ' D' ' 134' ' ' THR . 1.8 mttm 89.57 -23.01 0.1 Allowed 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 122.783 0.433 . . . . 0.0 111.691 179.694 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 136' ' ' SER . . . . . 0.538 ' H ' HG23 ' D' ' 134' ' ' THR . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.351 0 CA-C-O 120.818 0.342 . . . . 0.0 110.983 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.62 -38.88 90.69 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 121.183 0.516 . . . . 0.0 109.692 179.117 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 65.5 mm-40 -77.82 -26.85 49.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.437 -0.802 . . . . 0.0 109.964 178.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.58 ' HB3' HG22 ' B' ' 116' ' ' VAL . 9.4 m-20 -80.49 -31.23 37.31 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.367 179.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.548 HG22 ' HE1' ' A' ' 44' ' ' PHE . 3.3 p -75.04 -41.23 59.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.317 179.604 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.49 ' HA ' HD23 ' A' ' 15' ' ' LEU . 0.7 OUTLIER -70.97 -38.79 72.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.411 179.512 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.2 ttt85 -74.64 -24.67 58.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.971 179.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.923 ' CB ' HG11 ' B' ' 116' ' ' VAL . . . -78.68 -51.32 10.02 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.723 179.1 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.817 ' O ' HD12 ' A' ' 41' ' ' ILE . 0.4 OUTLIER -64.57 -28.58 69.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.868 179.604 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -73.63 -46.53 46.25 Favored 'General case' 0 CA--C 1.519 -0.233 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 179.018 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.738 ' CD1' HD11 ' B' ' 113' ' ' LEU . 1.1 mt -59.86 -43.06 94.87 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.857 179.082 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.704 HD22 HG11 ' B' ' 92' ' ' VAL . 20.3 mt -60.34 -42.0 94.76 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.649 179.708 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.534 ' HG3' HG21 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -58.74 -42.36 88.64 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.074 0.464 . . . . 0.0 110.497 179.739 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.28 -33.24 69.56 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.657 179.294 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.694 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 15.0 m-30 -66.43 -47.97 71.53 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.714 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.585 ' HA ' HD13 ' A' ' 37' ' ' ILE . 3.3 ptm180 -58.74 -44.4 90.48 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 120.824 0.345 . . . . 0.0 110.706 179.734 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.44 -37.35 75.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.538 179.512 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.5 ptmt -100.29 5.54 44.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.374 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.816 ' CD1' HD11 ' A' ' 37' ' ' ILE . 0.4 OUTLIER -94.29 -68.01 0.82 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.841 0.353 . . . . 0.0 111.343 -179.484 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.481 ' HB2' ' HB2' ' A' ' 34' ' ' ARG . 37.4 t -63.55 -149.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.736 -179.276 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 55.24 24.96 6.84 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 121.142 0.496 . . . . 0.0 110.065 -179.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.612 HG23 ' N ' ' A' ' 29' ' ' GLU . 6.6 t -149.13 -56.69 0.2 Allowed 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.729 -179.375 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.612 ' N ' HG23 ' A' ' 28' ' ' THR . 17.2 pt-20 -178.11 28.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.586 -179.331 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.462 ' CG ' HD23 ' A' ' 33' ' ' LEU . 0.7 OUTLIER -141.8 46.81 1.66 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.03 0.443 . . . . 0.0 111.175 -179.603 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.71 -55.34 35.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.421 0.629 . . . . 0.0 110.209 179.674 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.94 -47.63 74.22 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.488 178.656 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.578 HD11 ' CB ' ' B' ' 95' ' ' SER . 15.9 tp -54.72 -32.31 59.45 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.676 178.414 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.764 ' HA ' HD12 ' A' ' 37' ' ' ILE . 1.8 ttp180 -60.97 -44.43 97.36 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 178.383 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.4 -37.61 72.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.102 -0.953 . . . . 0.0 110.369 178.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.487 ' HB2' HE21 ' B' ' 91' ' ' GLN . 25.1 p -60.19 -51.59 68.91 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.11 0.481 . . . . 0.0 110.308 179.536 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.816 HD11 ' CD1' ' A' ' 25' ' ' LEU . 5.4 mt -56.19 -43.66 76.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.209 179.293 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -54.68 -44.39 73.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.839 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.456 ' HB3' ' HB1' ' B' ' 88' ' ' ALA . 18.1 mtt180 -56.53 -49.77 73.8 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.232 0.539 . . . . 0.0 110.009 179.415 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.707 HG12 ' CD2' ' A' ' 44' ' ' PHE . 24.9 t -60.55 -34.71 59.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.66 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.817 HD12 ' O ' ' A' ' 15' ' ' LEU . 7.8 mm -69.69 -53.65 23.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.478 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.4 t -62.3 -48.95 77.61 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-O 120.899 0.38 . . . . 0.0 110.851 -179.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.744 HG23 ' CE2' ' B' ' 129' ' ' TYR . 8.8 mt -59.79 -32.76 50.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.333 179.593 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.724 ' HB3' HD22 ' A' ' 15' ' ' LEU . 0.4 OUTLIER -72.24 -55.52 7.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.069 -0.514 . . . . 0.0 112.072 179.862 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.445 ' HG2' ' O ' ' A' ' 41' ' ' ILE . 4.2 pt20 -79.35 -0.03 30.96 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.284 0.476 . . . . 0.0 112.284 -178.445 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.408 ' OG ' ' CE1' ' B' ' 129' ' ' TYR . 1.2 t -53.56 128.92 30.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.757 0.313 . . . . 0.0 110.966 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -49.85 -31.29 11.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.617 HD13 ' O ' ' A' ' 48' ' ' LEU . 0.3 OUTLIER -76.9 -48.42 18.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.073 179.674 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.924 ' CE2' HD11 ' A' ' 53' ' ' ILE . 55.3 t80 -51.02 -48.89 61.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.346 -179.612 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -56.63 -44.26 81.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.827 0.346 . . . . 0.0 110.921 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.537 ' HB2' ' HG2' ' D' ' 135' ' ' LYS . . . -58.74 -44.45 90.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.605 179.759 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.535 HD12 ' CD1' ' A' ' 48' ' ' LEU . 0.5 OUTLIER -61.49 -45.35 94.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.289 179.473 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.924 HD11 ' CE2' ' A' ' 49' ' ' PHE . 47.8 mt -54.5 -37.22 37.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.405 179.326 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.407 ' O ' ' CG ' ' A' ' 57' ' ' GLU . 14.2 t0 -63.65 -50.12 70.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.435 179.591 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.724 HG22 ' HB2' ' A' ' 59' ' ' TYR . 67.0 mt -53.0 -34.24 20.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.091 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.731 ' NE2' HD21 ' B' ' 125' ' ' LEU . 0.0 OUTLIER -53.22 -20.62 4.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.762 -179.763 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.417 ' O ' ' CD1' ' A' ' 58' ' ' PHE . 0.2 OUTLIER -45.13 -47.28 12.19 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 111.743 0.275 . . . . 0.0 111.743 -179.59 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.474 ' CB ' ' HB2' ' C' ' 65' ' ' ASP . 73.7 m-85 -152.85 39.54 0.54 Allowed 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 121.038 -0.265 . . . . 0.0 111.713 -179.299 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.809 ' CD2' HD21 ' D' ' 128' ' ' LEU . 22.2 m-85 -134.08 71.33 1.45 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.841 0.353 . . . . 0.0 110.891 179.66 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -60.63 105.24 0.42 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.791 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.601 ' CG2' HG21 ' B' ' 124' ' ' THR . 0.0 OUTLIER -85.43 96.98 5.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.992 179.836 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.412 ' HB ' ' HB2' ' C' ' 60' ' ' GLU . 76.2 m -71.44 122.78 21.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.569 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.892 HD11 ' CE2' ' C' ' 59' ' ' TYR . 1.2 mp -95.23 119.78 34.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.839 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.729 ' N ' HD23 ' A' ' 64' ' ' LEU . 0.1 OUTLIER -108.4 -22.23 12.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.639 179.828 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.416 ' HB2' ' CB ' ' C' ' 58' ' ' PHE . 0.7 OUTLIER -89.9 -11.69 41.09 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.067 179.543 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.816 ' HB3' HD23 ' A' ' 63' ' ' LEU . 12.4 p-10 . . . . . 0 C--N 1.333 -0.137 0 CA-C-O 120.805 0.336 . . . . 0.0 111.149 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 81' ' ' GLY . . . . . 0.444 ' C ' HD23 ' B' ' 82' ' ' LEU . . . . . . . . 0 N--CA 1.446 -0.637 0 N-CA-C 111.374 -0.69 . . . . 0.0 111.374 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.912 ' N ' HD23 ' B' ' 82' ' ' LEU . 0.2 OUTLIER -89.22 -22.35 22.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.813 0.339 . . . . 0.0 110.657 179.85 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . 0.907 HD23 ' H ' ' B' ' 84' ' ' ALA . 0.3 OUTLIER -67.63 -41.36 84.05 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.94 -179.342 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.907 ' H ' HD23 ' B' ' 83' ' ' LEU . . . -93.4 -19.76 20.99 Favored 'General case' 0 C--N 1.328 -0.35 0 O-C-N 123.793 0.683 . . . . 0.0 112.312 -178.44 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 85' ' ' ALA . . . . . 0.862 ' HB1' ' HB2' ' B' ' 126' ' ' LEU . . . -51.81 -26.24 9.4 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.472 -179.391 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . 0.431 ' HG3' ' CE1' ' B' ' 123' ' ' HIS . 4.4 tt0 -120.89 -41.71 2.54 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.432 178.449 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 87' ' ' ARG . . . . . 0.809 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 38.8 ttt180 -60.09 -56.64 19.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.061 -0.972 . . . . 0.0 110.188 178.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . 0.877 ' HB2' ' HB1' ' B' ' 84' ' ' ALA . . . -57.35 -38.24 73.85 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.633 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 89' ' ' VAL . . . . . 0.462 ' CG1' ' HB3' ' B' ' 117' ' ' PHE . 25.0 t -68.12 -42.47 85.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.331 179.094 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 90' ' ' SER . . . . . 0.449 ' HA ' ' HB2' ' B' ' 93' ' ' LEU . 35.5 t -75.04 -23.7 58.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.837 179.713 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 91' ' ' GLN . . . . . 0.487 HE21 ' HB2' ' A' ' 36' ' ' SER . 17.4 mt-30 -66.52 -57.68 6.8 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 121.282 0.563 . . . . 0.0 109.844 179.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 92' ' ' VAL . . . . . 0.704 HG11 HD22 ' A' ' 18' ' ' LEU . 10.2 t -67.84 -28.11 40.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.034 179.286 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . 0.665 HD21 ' HA ' ' B' ' 114' ' ' HIS . 5.8 mt -68.36 -29.68 68.46 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.99 179.648 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -85.12 -40.61 16.56 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.945 0.402 . . . . 0.0 111.102 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 95' ' ' SER . . . . . 0.578 ' CB ' HD11 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -80.0 -15.18 57.76 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.995 -179.441 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . 0.812 HD13 ' HB3' ' B' ' 110' ' ' LEU . 0.1 OUTLIER -38.87 -52.51 1.75 Allowed 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -179.316 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -70.09 -30.0 67.12 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.967 -179.232 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . 0.805 ' O ' ' HB3' ' B' ' 101' ' ' ALA . 0.0 OUTLIER -69.56 -32.86 71.9 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 177.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 99' ' ' ILE . . . . . 0.518 HG12 ' CD1' ' A' ' 25' ' ' LEU . 48.3 mt -63.4 -49.51 82.51 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.859 0 CA-C-N 114.64 -1.164 . . . . 0.0 109.883 178.691 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . 0.93 ' HB2' HD11 ' B' ' 110' ' ' LEU . 1.3 t-160 -56.61 -33.75 66.55 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 178.046 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . 0.805 ' HB3' ' O ' ' B' ' 98' ' ' GLU . . . -55.71 -45.97 77.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.488 -1.233 . . . . 0.0 111.411 179.201 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 102' ' ' LEU . . . . . 0.637 HD12 HG23 ' B' ' 103' ' ' THR . 0.4 OUTLIER -118.01 35.97 4.52 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.543 -0.753 . . . . 0.0 112.598 -177.739 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 103' ' ' THR . . . . . 0.637 HG23 HD12 ' B' ' 102' ' ' LEU . 38.0 p -152.69 -32.94 0.13 Allowed 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.87 -0.332 . . . . 0.0 111.62 179.636 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 7.9 t70 73.87 25.38 1.94 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.051 0.453 . . . . 0.0 110.652 -179.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 105' ' ' SER . . . . . 0.443 ' HB3' ' CZ ' ' A' ' 21' ' ' TYR . 29.5 m -60.37 -17.2 41.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.165 179.727 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . 0.413 ' CB ' ' O ' ' B' ' 105' ' ' SER . 4.2 t 80.6 122.85 0.05 OUTLIER 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 120.912 0.387 . . . . 0.0 110.777 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . 0.615 ' HA ' HD12 ' B' ' 110' ' ' LEU . 0.9 OUTLIER -52.75 -26.3 13.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.035 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.18 -54.6 44.96 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.175 0.512 . . . . 0.0 110.081 179.496 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 109' ' ' ASP . . . . . 0.652 ' O ' HD12 ' B' ' 113' ' ' LEU . 11.1 m-20 -62.43 -41.75 98.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.868 179.051 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 110' ' ' LEU . . . . . 0.93 HD11 ' HB2' ' B' ' 100' ' ' HIS . 70.0 mt -59.97 -36.72 77.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.039 179.063 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 111' ' ' ASP . . . . . 0.401 ' HA ' ' ND1' ' B' ' 114' ' ' HIS . 6.7 m-20 -61.88 -48.87 78.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.874 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 112' ' ' PHE . . . . . 0.801 ' O ' HG23 ' B' ' 116' ' ' VAL . 1.6 t80 -58.89 -36.97 75.56 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.78 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 113' ' ' LEU . . . . . 0.738 HD11 ' CD1' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -76.62 -32.77 58.26 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.253 -179.713 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 114' ' ' HIS . . . . . 0.665 ' HA ' HD21 ' B' ' 93' ' ' LEU . 0.0 OUTLIER -61.73 -35.04 76.91 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 178.378 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . 0.466 ' N ' ' CD2' ' B' ' 114' ' ' HIS . 1.0 OUTLIER -74.02 -36.77 64.48 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 178.096 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 116' ' ' VAL . . . . . 0.923 HG11 ' CB ' ' A' ' 14' ' ' ALA . 69.3 t -63.44 -23.19 32.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.708 178.346 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 117' ' ' PHE . . . . . 0.677 ' CZ ' HD11 ' A' ' 18' ' ' LEU . 4.0 m-30 -107.39 -14.89 14.76 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.605 -179.626 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 118' ' ' GLN . . . . . 0.403 ' HB2' ' O ' ' B' ' 114' ' ' HIS . 0.0 OUTLIER -81.61 -31.88 32.26 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.676 0.274 . . . . 0.0 111.596 -179.453 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -41.56 133.76 2.54 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.959 -179.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -72.04 -47.06 54.46 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.649 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 121' ' ' HIS . . . . . 0.439 ' CE1' ' HG2' ' A' ' 56' ' ' GLN . 1.8 t-80 -55.78 -33.68 64.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.223 179.383 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . 0.806 HD22 ' O ' ' B' ' 116' ' ' VAL . 50.1 tp -55.59 -47.81 75.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.898 179.508 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 123' ' ' HIS . . . . . 0.812 ' HA ' HD12 ' B' ' 126' ' ' LEU . 50.5 m-70 -52.74 -27.9 19.8 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.041 178.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 124' ' ' THR . . . . . 0.617 HG22 HD11 ' B' ' 128' ' ' LEU . 5.0 m -76.52 -32.85 58.51 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.95 179.366 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . 0.784 HD12 HD12 ' B' ' 122' ' ' LEU . 20.1 mt -66.64 -41.59 88.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.179 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . 0.862 ' HB2' ' HB1' ' B' ' 85' ' ' ALA . 0.3 OUTLIER -72.98 -41.72 64.05 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.755 0.312 . . . . 0.0 111.021 -179.851 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.11 -46.3 90.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.222 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . 0.977 HD21 ' CD2' ' C' ' 59' ' ' TYR . 9.1 mt -77.08 -32.34 56.67 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.694 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 129' ' ' TYR . . . . . 0.744 ' CE2' HG23 ' A' ' 43' ' ' ILE . 0.1 OUTLIER -56.49 -53.13 61.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.932 -179.501 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 130' ' ' ASP . . . . . 0.546 ' HB2' HD22 ' B' ' 82' ' ' LEU . 17.6 m-20 -77.21 -34.96 56.04 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.301 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -56.71 -45.76 81.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.914 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 132' ' ' ILE . . . . . 0.502 HD12 ' O ' ' B' ' 128' ' ' LEU . 5.4 mt -76.89 -39.12 29.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.876 0.37 . . . . 0.0 110.713 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 133' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -60.38 -28.44 68.21 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.911 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 89.5 m -87.27 -49.31 7.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.174 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.65 -35.16 75.52 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.985 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 84.2 p . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.801 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 7' ' ' ARG . . . . . 0.651 ' NH2' HD13 ' D' ' 122' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.23 -40.18 93.07 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 121.205 0.526 . . . . 0.0 109.794 179.039 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 53.8 mm-40 -73.93 -32.29 63.45 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.987 179.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 10' ' ' ASP . . . . . 0.747 ' HB3' HG22 ' D' ' 116' ' ' VAL . 95.6 m-20 -75.61 -29.49 59.24 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.114 179.288 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 11' ' ' THR . . . . . 0.565 HG23 ' CD2' ' C' ' 44' ' ' PHE . 63.0 m -69.82 -49.58 51.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.71 179.724 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 12' ' ' GLN . . . . . 0.404 ' O ' ' CG ' ' C' ' 16' ' ' HIS . 0.8 OUTLIER -66.71 -37.08 83.97 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.909 -0.317 . . . . 0.0 110.365 179.877 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 9.1 ttt85 -73.86 -24.68 59.78 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.118 179.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 14' ' ' ALA . . . . . 0.868 ' CB ' HG11 ' D' ' 116' ' ' VAL . . . -78.7 -55.12 5.42 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 116.086 -0.507 . . . . 0.0 109.749 178.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 15' ' ' LEU . . . . . 0.729 ' O ' HD12 ' C' ' 41' ' ' ILE . 0.4 OUTLIER -63.6 -24.74 67.92 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.955 179.256 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 16' ' ' HIS . . . . . 0.404 ' CG ' ' O ' ' C' ' 12' ' ' GLN . 9.3 m170 -73.23 -48.79 32.05 Favored 'General case' 0 CA--C 1.518 -0.251 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 178.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . 0.858 HD22 ' CZ ' ' C' ' 21' ' ' TYR . 2.1 mt -60.2 -37.96 81.85 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.419 -0.809 . . . . 0.0 109.383 178.657 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . 0.763 ' HB3' HD11 ' C' ' 41' ' ' ILE . 11.8 mt -65.86 -41.0 92.22 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.315 179.389 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -57.89 -39.49 77.98 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.75 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -73.7 -37.03 65.31 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.147 179.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 21' ' ' TYR . . . . . 0.858 ' CZ ' HD22 ' C' ' 17' ' ' LEU . 22.9 m-85 -65.14 -46.62 80.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.835 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 22' ' ' ARG . . . . . 0.481 ' HB2' ' HG3' ' C' ' 34' ' ' ARG . 1.0 OUTLIER -59.38 -49.36 78.1 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.782 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 23' ' ' SER . . . . . 0.441 ' N ' ' HG3' ' C' ' 22' ' ' ARG . 0.3 OUTLIER -58.19 -32.85 68.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.26 179.893 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 24' ' ' LYS . . . . . . . . . . . . . 7.0 ptmt -101.65 5.13 41.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.426 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 25' ' ' LEU . . . . . 0.954 HD11 HG12 ' D' ' 99' ' ' ILE . 3.8 mt -92.77 -62.91 1.29 Allowed 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -179.291 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . 0.668 ' HB2' ' HD2' ' C' ' 31' ' ' ARG . 52.6 p -57.76 -18.38 21.2 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.142 -0.481 . . . . 0.0 112.044 -178.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 27' ' ' GLN . . . . . 0.441 ' OE1' ' OG ' ' C' ' 26' ' ' SER . 1.1 mm100 -78.76 50.08 0.96 Allowed 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.536 -179.119 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 28' ' ' THR . . . . . 0.484 ' CG2' ' N ' ' C' ' 29' ' ' GLU . 0.7 OUTLIER -177.28 -54.47 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.627 0.251 . . . . 0.0 111.326 179.249 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 29' ' ' GLU . . . . . 0.484 ' N ' ' CG2' ' C' ' 28' ' ' THR . 6.3 pt-20 179.15 27.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.329 -179.743 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 30' ' ' ASP . . . . . 0.449 ' CG ' HD22 ' C' ' 25' ' ' LEU . 1.8 m-20 -126.11 36.19 4.55 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.79 -179.736 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . 0.668 ' HD2' ' HB2' ' C' ' 26' ' ' SER . 25.3 mmm180 -55.08 -51.55 66.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.265 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 21.8 tp60 -61.67 -47.3 85.97 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.864 178.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 33' ' ' LEU . . . . . 0.521 HD11 ' CB ' ' D' ' 95' ' ' SER . 12.2 tp -56.05 -37.05 68.73 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.464 179.208 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 34' ' ' ARG . . . . . 0.621 ' HB2' ' HB3' ' C' ' 26' ' ' SER . 16.5 ttt180 -60.91 -40.23 92.35 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 178.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 5.2 m -58.25 -40.15 81.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.228 178.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 36' ' ' SER . . . . . 0.771 ' OG ' HG22 ' D' ' 92' ' ' VAL . 36.8 p -66.24 -48.76 69.48 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.221 0.534 . . . . 0.0 110.283 179.367 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 37' ' ' ILE . . . . . 0.782 ' CD1' HD12 ' C' ' 25' ' ' LEU . 7.2 mt -58.82 -36.97 63.76 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.88 179.235 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -59.77 -52.68 64.43 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.062 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 39' ' ' ARG . . . . . 0.664 ' HG3' ' HB1' ' D' ' 88' ' ' ALA . 3.6 ptp85 -56.4 -31.9 64.32 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 179.399 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . 0.747 HG23 ' O ' ' C' ' 36' ' ' SER . 17.9 t -70.45 -35.6 62.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.991 178.27 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 41' ' ' ILE . . . . . 0.763 HD11 ' HB3' ' C' ' 18' ' ' LEU . 9.8 mm -69.04 -55.53 15.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.615 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 17.7 p -61.43 -48.35 81.59 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 120.931 0.396 . . . . 0.0 110.83 -179.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 43' ' ' ILE . . . . . 0.894 HG23 ' CE2' ' D' ' 129' ' ' TYR . 17.3 mt -59.76 -33.1 51.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.239 179.417 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 44' ' ' PHE . . . . . 0.689 ' HB3' HD22 ' C' ' 15' ' ' LEU . 1.8 m-85 -72.46 -57.66 4.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.699 179.451 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 45' ' ' GLN . . . . . 0.402 ' NE2' HG22 ' C' ' 41' ' ' ILE . 5.0 pt20 -78.05 -2.93 39.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.772 -178.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 46' ' ' SER . . . . . 0.486 ' CB ' ' CE1' ' D' ' 129' ' ' TYR . 1.2 m -47.89 127.58 12.2 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.799 0.333 . . . . 0.0 110.813 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -47.82 -34.35 8.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.239 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . 0.823 ' O ' HD12 ' C' ' 48' ' ' LEU . 1.7 tp -79.89 -43.69 21.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.092 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 49' ' ' PHE . . . . . 0.589 ' CE2' HD11 ' C' ' 53' ' ' ILE . 50.6 t80 -51.16 -56.29 13.52 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.588 0.232 . . . . 0.0 111.246 -179.669 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -55.97 -34.74 66.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.955 0.407 . . . . 0.0 110.472 179.645 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 51' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' C' ' 48' ' ' LEU . . . -59.15 -47.84 83.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.551 179.504 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 52' ' ' LEU . . . . . 0.505 HD13 ' O ' ' D' ' 125' ' ' LEU . 1.2 mt -59.67 -44.28 93.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.429 179.536 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 53' ' ' ILE . . . . . 0.596 HG12 HD13 ' D' ' 125' ' ' LEU . 37.3 mt -52.66 -43.15 43.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.69 179.531 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.52 -33.87 75.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.312 179.463 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 55' ' ' ILE . . . . . 0.659 HG22 ' HB2' ' C' ' 59' ' ' TYR . 73.1 mt -66.63 -43.49 90.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.809 179.611 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.04 -22.8 6.36 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.692 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 57' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -49.61 -32.51 13.02 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.58 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 58' ' ' PHE . . . . . 0.428 ' HA ' ' HG ' ' A' ' 64' ' ' LEU . 96.9 m-85 -155.05 25.08 0.43 Allowed 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.033 0.382 . . . . 0.0 112.033 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 59' ' ' TYR . . . . . 0.977 ' CD2' HD21 ' B' ' 128' ' ' LEU . 14.1 m-85 -132.21 70.96 1.46 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.316 -0.402 . . . . 0.0 109.967 179.254 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 60' ' ' GLU . . . . . 0.412 ' HB2' ' HB ' ' A' ' 62' ' ' THR . 1.7 mt-10 -59.17 96.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.083 -179.203 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 61' ' ' VAL . . . . . 0.503 HG23 HG21 ' D' ' 124' ' ' THR . 0.0 OUTLIER -72.76 96.73 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.951 0.405 . . . . 0.0 110.593 179.62 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 62' ' ' THR . . . . . . . . . . . . . 17.8 m -84.64 117.35 23.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.909 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 63' ' ' LEU . . . . . 0.624 HD11 ' CZ ' ' A' ' 59' ' ' TYR . 0.1 OUTLIER -90.82 130.69 36.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.413 179.618 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 64' ' ' LEU . . . . . 0.698 HD23 ' N ' ' C' ' 64' ' ' LEU . 0.1 OUTLIER -115.46 -23.41 8.84 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.554 -179.609 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 65' ' ' ASP . . . . . 0.474 ' HB2' ' CB ' ' A' ' 58' ' ' PHE . 0.4 OUTLIER -86.84 -32.11 20.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.896 0.379 . . . . 0.0 110.776 179.845 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 66' ' ' ASN . . . . . 0.476 ' H ' HD23 ' C' ' 63' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 121.343 0.592 . . . . 0.0 110.576 -179.63 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.746 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 82' ' ' LEU . . . . . 0.859 ' N ' HD23 ' D' ' 82' ' ' LEU . 0.3 OUTLIER -75.55 -33.43 60.65 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 121.076 0.465 . . . . 0.0 110.222 179.441 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 83' ' ' LEU . . . . . 1.067 HD23 ' H ' ' D' ' 84' ' ' ALA . 0.2 OUTLIER -60.02 -50.4 73.89 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.65 -179.604 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 84' ' ' ALA . . . . . 1.067 ' H ' HD23 ' D' ' 83' ' ' LEU . . . -73.83 -22.41 59.79 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.171 -179.429 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 85' ' ' ALA . . . . . 0.869 ' O ' HD13 ' D' ' 126' ' ' LEU . . . -52.05 -26.63 11.35 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 179.105 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 86' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -125.41 -39.61 2.17 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.009 178.629 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 87' ' ' ARG . . . . . 0.73 ' HB3' ' O ' ' D' ' 83' ' ' LEU . 9.4 ttt-85 -64.52 -38.65 91.77 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.767 179.355 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 88' ' ' ALA . . . . . 0.851 ' HB2' ' HB1' ' D' ' 84' ' ' ALA . . . -69.89 -46.52 65.29 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.139 -179.614 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 89' ' ' VAL . . . . . 0.822 HG12 ' HB3' ' D' ' 117' ' ' PHE . 21.2 t -74.8 -31.93 27.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.099 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 90' ' ' SER . . . . . 0.486 ' HA ' ' HB2' ' D' ' 93' ' ' LEU . 72.2 m -76.12 -43.82 41.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.106 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 91' ' ' GLN . . . . . 0.423 ' CD ' ' HB2' ' C' ' 36' ' ' SER . 7.6 pt20 -62.18 -49.38 76.04 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-O 121.309 0.576 . . . . 0.0 109.618 179.695 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 92' ' ' VAL . . . . . 0.771 HG22 ' OG ' ' C' ' 36' ' ' SER . 75.8 t -66.05 -27.75 41.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.274 177.727 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 93' ' ' LEU . . . . . 0.772 HD21 ' HA ' ' D' ' 114' ' ' HIS . 1.1 mt -58.24 -41.93 85.24 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.818 179.072 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -80.52 -27.06 37.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.099 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 95' ' ' SER . . . . . 0.521 ' CB ' HD11 ' C' ' 33' ' ' LEU . 5.8 m -79.1 -20.13 49.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.814 -179.564 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 96' ' ' LEU . . . . . 0.888 HD22 HD22 ' D' ' 110' ' ' LEU . 0.2 OUTLIER -43.96 -52.38 7.0 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.009 0.433 . . . . 0.0 112.145 -179.421 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -67.47 -27.62 67.18 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 98' ' ' GLU . . . . . 0.769 ' O ' ' HB3' ' D' ' 101' ' ' ALA . 0.0 OUTLIER -69.96 -36.79 75.5 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.601 -1.259 . . . . 0.0 107.601 177.696 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 99' ' ' ILE . . . . . 0.954 HG12 HD11 ' C' ' 25' ' ' LEU . 82.1 mt -58.31 -45.98 89.15 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.704 0 CA-C-N 114.456 -1.247 . . . . 0.0 109.593 178.015 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 100' ' ' HIS . . . . . 1.003 ' HB2' HD11 ' D' ' 110' ' ' LEU . 5.4 t-160 -55.05 -43.24 73.62 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 178.25 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 101' ' ' ALA . . . . . 0.769 ' HB3' ' O ' ' D' ' 98' ' ' GLU . . . -50.46 -43.19 55.12 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 113.793 -1.549 . . . . 0.0 112.257 179.592 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 102' ' ' LEU . . . . . 0.584 HD12 HG23 ' D' ' 103' ' ' THR . 0.3 OUTLIER -118.49 28.97 8.01 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 113.029 0.751 . . . . 0.0 113.029 -177.499 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 103' ' ' THR . . . . . 0.584 HG23 HD12 ' D' ' 102' ' ' LEU . 25.3 p -152.82 -9.93 0.17 Allowed 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 113.094 0.776 . . . . 0.0 113.094 179.726 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 2.5 p30 46.12 27.95 0.59 Allowed 'General case' 0 CA--C 1.529 0.146 0 CA-C-O 120.826 0.346 . . . . 0.0 110.934 -179.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 105' ' ' SER . . . . . 0.485 ' HG ' ' HH ' ' C' ' 21' ' ' TYR . 7.0 t -48.41 -82.02 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.093 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 106' ' ' SER . . . . . . . . . . . . . 9.6 t 169.35 109.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.382 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -49.29 -36.81 21.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.759 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.45 -47.94 79.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 109.968 179.339 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 109' ' ' ASP . . . . . 0.668 ' O ' HD12 ' D' ' 113' ' ' LEU . 4.4 m-20 -63.09 -36.09 82.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.676 178.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 110' ' ' LEU . . . . . 1.003 HD11 ' HB2' ' D' ' 100' ' ' HIS . 17.5 mt -61.27 -52.76 63.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.069 179.132 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 111' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -53.77 -40.66 66.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.877 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 112' ' ' PHE . . . . . 0.459 ' O ' HG23 ' D' ' 116' ' ' VAL . 0.6 OUTLIER -59.04 -45.78 89.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.635 179.79 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 113' ' ' LEU . . . . . 0.668 HD12 ' O ' ' D' ' 109' ' ' ASP . 0.5 OUTLIER -70.51 -29.01 65.4 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.125 -179.647 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 114' ' ' HIS . . . . . 0.772 ' HA ' HD21 ' D' ' 93' ' ' LEU . 48.8 m80 -62.75 -38.26 89.85 Favored 'General case' 0 CA--C 1.516 -0.332 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 178.338 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 115' ' ' SER . . . . . . . . . . . . . 71.0 m -71.8 -37.8 70.36 Favored 'General case' 0 CA--C 1.517 -0.322 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 178.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 116' ' ' VAL . . . . . 0.868 HG11 ' CB ' ' C' ' 14' ' ' ALA . 44.6 t -61.53 -23.35 30.46 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.627 178.296 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 117' ' ' PHE . . . . . 0.822 ' HB3' HG12 ' D' ' 89' ' ' VAL . 9.4 m-30 -105.09 -23.57 12.91 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.47 -179.709 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 118' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' D' ' 114' ' ' HIS . 0.0 OUTLIER -71.16 -30.48 66.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.857 0.36 . . . . 0.0 111.47 -179.399 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -42.68 133.57 3.43 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.86 -179.322 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 120' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -76.7 -49.49 15.95 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.561 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 121' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -55.94 -34.0 65.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.298 179.548 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 122' ' ' LEU . . . . . 0.841 HD12 HD12 ' D' ' 125' ' ' LEU . 29.8 tp -55.88 -46.51 78.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.031 179.467 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 123' ' ' HIS . . . . . 0.992 ' HA ' HD12 ' D' ' 126' ' ' LEU . 48.8 m170 -53.86 -26.67 25.74 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.143 0.497 . . . . 0.0 109.82 178.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 124' ' ' THR . . . . . 0.503 HG21 HG23 ' C' ' 61' ' ' VAL . 2.6 m -76.4 -33.88 58.86 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.41 178.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 125' ' ' LEU . . . . . 0.841 HD12 HD12 ' D' ' 122' ' ' LEU . 13.2 mt -70.24 -40.88 74.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.509 179.382 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 126' ' ' LEU . . . . . 0.992 HD12 ' HA ' ' D' ' 123' ' ' HIS . 0.5 OUTLIER -69.12 -40.69 78.17 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.253 -179.679 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 127' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -64.31 -53.19 52.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.805 0.336 . . . . 0.0 111.095 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 128' ' ' LEU . . . . . 0.809 HD21 ' CD2' ' A' ' 59' ' ' TYR . 36.7 mt -62.06 -42.06 98.8 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.3 -179.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 129' ' ' TYR . . . . . 0.894 ' CE2' HG23 ' C' ' 43' ' ' ILE . 0.1 OUTLIER -55.81 -51.43 67.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.933 0.397 . . . . 0.0 111.145 -179.257 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 130' ' ' ASP . . . . . 0.426 ' OD2' ' CE2' ' D' ' 129' ' ' TYR . 19.1 m-20 -75.76 -22.9 56.03 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.97 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.16 -51.98 57.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.914 0.388 . . . . 0.0 110.615 179.626 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 132' ' ' ILE . . . . . 0.681 HD12 ' O ' ' D' ' 128' ' ' LEU . 2.1 mt -73.06 -35.97 49.54 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.781 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 133' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -65.43 -25.74 67.66 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.128 -179.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 134' ' ' THR . . . . . . . . . . . . . 96.6 m -80.07 -32.7 39.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.607 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 135' ' ' LYS . . . . . 0.537 ' HG2' ' HB2' ' A' ' 51' ' ' ALA . 6.0 tptt -68.29 -49.82 57.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.227 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 136' ' ' SER . . . . . 0.411 ' N ' ' HG3' ' D' ' 135' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.556 179.513 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.51 HH21 HG22 ' B' ' 116' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.401 ' HD3' ' CG2' ' A' ' 53' ' ' ILE . 0.8 OUTLIER -62.41 -40.34 96.21 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-O 121.206 0.526 . . . . 0.0 109.686 179.123 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -76.9 -29.74 55.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.091 178.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.438 ' HB3' HG22 ' B' ' 116' ' ' VAL . 0.8 OUTLIER -77.47 -30.33 53.12 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.473 179.831 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.1 p -74.24 -44.34 53.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.517 179.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -67.95 -36.42 80.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.237 179.476 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.2 tpp180 -74.32 -25.31 59.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 109.932 179.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.791 ' CB ' HG11 ' B' ' 116' ' ' VAL . . . -78.15 -54.44 6.25 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.73 178.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.777 HD22 ' HB3' ' A' ' 44' ' ' PHE . 0.4 OUTLIER -62.49 -26.05 68.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.635 179.262 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 28.9 t60 -73.08 -45.33 57.85 Favored 'General case' 0 CA--C 1.517 -0.293 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 178.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.999 HD22 ' CE1' ' A' ' 21' ' ' TYR . 2.7 mt -62.88 -36.11 82.22 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.116 178.504 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.921 ' CD2' HG11 ' B' ' 92' ' ' VAL . 50.9 mt -60.61 -43.97 96.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.048 -0.978 . . . . 0.0 110.393 179.334 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.52 ' CD ' HG21 ' A' ' 41' ' ' ILE . 3.4 mm-40 -60.39 -45.55 93.14 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.576 179.674 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -71.25 -31.65 67.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.927 179.268 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.999 ' CE1' HD22 ' A' ' 17' ' ' LEU . 5.8 m-30 -67.36 -46.74 72.47 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.461 179.652 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.401 ' HB2' ' HG2' ' A' ' 34' ' ' ARG . 28.8 ptt85 -62.79 -38.37 90.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.723 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 98.2 p -63.29 -38.69 92.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.922 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt -92.04 -18.32 23.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.553 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.778 HD12 HD11 ' A' ' 37' ' ' ILE . 0.3 OUTLIER -77.94 -71.12 0.44 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.693 -179.774 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.477 ' HB2' ' HB2' ' A' ' 34' ' ' ARG . 14.6 t -62.87 -146.89 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.601 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 47.67 27.75 1.11 Allowed 'General case' 0 N--CA 1.452 -0.325 0 CA-C-O 121.037 0.446 . . . . 0.0 110.291 -179.471 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.447 HG23 ' HG2' ' A' ' 29' ' ' GLU . 3.1 t -152.65 -49.21 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.573 -179.654 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.447 ' HG2' HG23 ' A' ' 28' ' ' THR . 10.6 pt-20 -177.45 26.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.53 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.482 ' CB ' HD22 ' A' ' 25' ' ' LEU . 0.7 OUTLIER -144.01 60.19 1.36 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.059 0.457 . . . . 0.0 111.192 -179.657 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.8 mmm180 -68.08 -53.24 26.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.369 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.28 -49.7 76.82 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.777 179.092 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.47 HD11 ' CB ' ' B' ' 95' ' ' SER . 8.7 tp -51.58 -36.24 44.64 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.007 178.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.477 ' HB2' ' HB2' ' A' ' 26' ' ' SER . 18.8 ttp180 -60.61 -46.43 90.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.455 178.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 10.3 p -54.72 -35.3 63.53 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.386 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.524 ' O ' ' HG2' ' A' ' 39' ' ' ARG . 0.6 OUTLIER -66.47 -50.13 64.33 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.124 0.487 . . . . 0.0 110.319 179.385 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.778 HD11 HD12 ' A' ' 25' ' ' LEU . 28.2 mt -60.5 -37.69 75.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.727 178.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.414 ' HA ' HG12 ' A' ' 41' ' ' ILE . 7.6 mm-40 -64.54 -51.21 64.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 114.995 -1.002 . . . . 0.0 111.925 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.632 ' HG3' ' HB1' ' B' ' 88' ' ' ALA . 5.0 ptp85 -55.18 -38.3 68.17 Favored 'General case' 0 CA--C 1.52 -0.203 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.011 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.516 HG12 ' CD1' ' A' ' 44' ' ' PHE . 92.3 t -63.43 -40.99 91.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 178.17 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.709 HD11 ' HB3' ' A' ' 18' ' ' LEU . 13.4 mm -55.38 -58.35 4.78 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.157 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.769 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.7 t -58.38 -47.7 83.0 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-O 120.964 0.412 . . . . 0.0 110.649 -179.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.928 HG23 ' CE2' ' B' ' 129' ' ' TYR . 16.0 mt -59.89 -34.25 55.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.219 179.289 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.777 ' HB3' HD22 ' A' ' 15' ' ' LEU . 1.1 m-85 -72.79 -56.47 5.19 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.681 -0.69 . . . . 0.0 112.21 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.406 ' NE2' HG22 ' A' ' 41' ' ' ILE . 4.0 pt20 -80.17 -0.57 36.62 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -178.4 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.425 ' CB ' ' CE1' ' B' ' 129' ' ' TYR . 14.1 p -53.68 140.1 30.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.926 0.394 . . . . 0.0 110.799 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -56.71 -32.02 65.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.686 -179.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.772 ' O ' HD12 ' A' ' 48' ' ' LEU . 2.0 tp -79.29 -46.82 16.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.685 -0.234 . . . . 0.0 111.509 -179.589 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.918 ' CE2' HD11 ' A' ' 53' ' ' ILE . 81.2 t80 -51.51 -50.67 59.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.781 0.324 . . . . 0.0 111.384 -179.36 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 21.7 mm-40 -56.99 -43.08 81.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.054 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.595 ' CB ' HG23 ' D' ' 132' ' ' ILE . . . -58.25 -40.76 82.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.944 0.402 . . . . 0.0 110.207 179.732 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.598 HD21 ' HB3' ' B' ' 128' ' ' LEU . 2.7 mt -61.6 -43.57 98.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.698 178.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.918 HD11 ' CE2' ' A' ' 49' ' ' PHE . 55.5 mt -55.97 -34.01 36.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.191 178.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.83 -34.18 69.1 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.443 179.292 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.872 HD11 ' CG1' ' D' ' 132' ' ' ILE . 69.6 mt -66.26 -46.78 86.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.467 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.413 ' CG ' ' O ' ' A' ' 53' ' ' ILE . 1.9 pt20 -53.09 -21.26 4.54 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.816 -179.322 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.403 ' O ' ' CG ' ' A' ' 58' ' ' PHE . 8.5 tt0 -47.19 -32.66 4.59 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.71 0.29 . . . . 0.0 111.083 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.463 ' CD1' ' HB2' ' C' ' 65' ' ' ASP . 95.5 m-85 -156.71 35.76 0.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.312 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.974 ' CD2' HD21 ' D' ' 128' ' ' LEU . 45.8 m-85 -142.34 70.16 1.33 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.381 179.601 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.492 ' HB2' ' HB ' ' C' ' 62' ' ' THR . 67.4 mt-10 -57.23 91.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.95 -179.659 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.533 HG23 HG21 ' B' ' 124' ' ' THR . 0.0 OUTLIER -72.88 106.11 2.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.127 -179.935 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.411 ' HB ' ' HB2' ' C' ' 60' ' ' GLU . 3.2 m -89.3 122.22 32.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.482 179.672 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.652 HD22 ' CB ' ' A' ' 66' ' ' ASN . 0.1 OUTLIER -92.92 131.31 38.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.092 -179.897 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.688 ' N ' HD23 ' A' ' 64' ' ' LEU . 0.1 OUTLIER -115.59 -25.3 7.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.094 -179.818 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.455 ' HB2' ' CB ' ' C' ' 58' ' ' PHE . 0.4 OUTLIER -80.54 -14.29 58.36 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.306 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.652 ' CB ' HD22 ' A' ' 63' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.611 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.623 0 N-CA-C 110.453 -1.059 . . . . 0.0 110.453 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.854 ' N ' HD23 ' B' ' 82' ' ' LEU . 0.2 OUTLIER -87.44 -36.49 17.68 Favored 'General case' 0 CA--C 1.519 -0.246 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 178.65 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . 0.972 HD23 ' H ' ' B' ' 84' ' ' ALA . 0.4 OUTLIER -61.42 -44.53 96.97 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.142 -0.936 . . . . 0.0 110.723 -179.795 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 1.005 ' HB1' ' HB2' ' B' ' 88' ' ' ALA . . . -78.7 -19.37 52.58 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.786 -178.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 85' ' ' ALA . . . . . 0.709 ' HB2' ' OD2' ' B' ' 130' ' ' ASP . . . -52.32 -24.02 6.83 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.346 0.593 . . . . 0.0 109.836 179.082 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . 0.412 ' O ' ' CB ' ' B' ' 90' ' ' SER . 10.2 tt0 -127.41 -39.69 1.85 Allowed 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.828 178.69 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 87' ' ' ARG . . . . . 0.698 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 20.2 ttt85 -64.96 -39.96 94.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.619 179.377 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . 1.005 ' HB2' ' HB1' ' B' ' 84' ' ' ALA . . . -69.94 -47.63 61.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.782 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 89' ' ' VAL . . . . . 0.642 HG13 ' CD1' ' B' ' 117' ' ' PHE . 37.8 t -70.29 -34.08 56.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.407 179.412 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 90' ' ' SER . . . . . 0.452 ' HA ' ' HB2' ' B' ' 93' ' ' LEU . 72.6 m -76.18 -25.01 54.79 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.352 179.19 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 91' ' ' GLN . . . . . 0.482 ' HB3' ' HB3' ' A' ' 36' ' ' SER . 9.5 mt-30 -67.73 -53.16 29.62 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 121.307 0.575 . . . . 0.0 109.462 179.323 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 92' ' ' VAL . . . . . 0.921 HG11 ' CD2' ' A' ' 18' ' ' LEU . 4.9 t -69.73 -27.77 34.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.168 -0.924 . . . . 0.0 109.968 179.116 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . 0.762 HD21 ' HA ' ' B' ' 114' ' ' HIS . 4.2 mt -68.76 -35.13 76.7 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.354 179.722 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -83.52 -37.64 22.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.919 0.39 . . . . 0.0 110.964 -179.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 95' ' ' SER . . . . . 0.47 ' CB ' HD11 ' A' ' 33' ' ' LEU . 0.5 OUTLIER -79.66 -20.34 46.88 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.712 -179.623 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . 0.816 HD13 ' HB3' ' B' ' 110' ' ' LEU . 0.1 OUTLIER -36.88 -49.11 0.79 Allowed 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 112.529 0.566 . . . . 0.0 112.529 -179.484 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -69.29 -32.13 71.09 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.226 -179.049 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . 0.821 ' OE2' HD21 ' B' ' 102' ' ' LEU . 0.0 OUTLIER -68.93 -35.81 77.25 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 177.68 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 99' ' ' ILE . . . . . 0.548 HG23 HG21 ' B' ' 103' ' ' THR . 8.4 mt -57.9 -48.37 84.09 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.645 0 CA-C-N 114.291 -1.322 . . . . 0.0 109.885 178.239 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . 0.77 ' HB2' HD11 ' B' ' 110' ' ' LEU . 15.8 t-160 -55.98 -39.91 72.51 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-O 121.971 0.891 . . . . 0.0 108.692 178.359 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . 0.789 ' HB3' ' O ' ' B' ' 98' ' ' GLU . . . -52.45 -41.62 63.46 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 113.884 -1.507 . . . . 0.0 111.819 179.48 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 102' ' ' LEU . . . . . 0.821 HD21 ' OE2' ' B' ' 98' ' ' GLU . 0.4 OUTLIER -123.53 35.47 4.85 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -177.351 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 103' ' ' THR . . . . . 0.652 HG23 HD12 ' B' ' 102' ' ' LEU . 39.7 p -150.69 -38.97 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.685 -0.406 . . . . 0.0 111.856 179.6 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 74.89 29.95 0.98 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.987 0.422 . . . . 0.0 110.14 -178.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 105' ' ' SER . . . . . 0.421 ' HB3' ' CZ ' ' A' ' 21' ' ' TYR . 3.1 m -64.59 -8.5 14.39 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.75 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 75.57 118.96 0.05 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.846 0.355 . . . . 0.0 110.554 -179.685 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . 0.729 ' HA ' HD12 ' B' ' 110' ' ' LEU . 0.4 OUTLIER -50.64 -27.02 6.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.182 -179.78 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.3 -51.71 68.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.131 0.491 . . . . 0.0 110.212 179.472 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 109' ' ' ASP . . . . . 0.626 ' O ' HD12 ' B' ' 113' ' ' LEU . 14.6 m-20 -65.49 -39.84 92.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.878 179.002 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 110' ' ' LEU . . . . . 0.816 ' HB3' HD13 ' B' ' 96' ' ' LEU . 52.2 mt -61.31 -36.46 80.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.124 179.188 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 111' ' ' ASP . . . . . 0.427 ' O ' ' ND1' ' B' ' 114' ' ' HIS . 0.7 OUTLIER -66.32 -43.03 87.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.665 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 112' ' ' PHE . . . . . 0.555 ' O ' HG23 ' B' ' 116' ' ' VAL . 0.5 OUTLIER -60.81 -37.2 81.15 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.461 179.81 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 113' ' ' LEU . . . . . 0.719 HD11 ' CD1' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -78.45 -35.06 47.26 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.862 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 114' ' ' HIS . . . . . 0.762 ' HA ' HD21 ' B' ' 93' ' ' LEU . 0.0 OUTLIER -61.65 -29.03 69.8 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 178.708 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 1.9 m -79.32 -39.09 33.66 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 177.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 116' ' ' VAL . . . . . 0.865 ' O ' HD22 ' B' ' 122' ' ' LEU . 25.2 t -61.04 -24.02 31.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.669 178.27 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 117' ' ' PHE . . . . . 0.642 ' CD1' HG13 ' B' ' 89' ' ' VAL . 22.4 m-85 -99.86 -31.8 11.32 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.432 -179.482 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 118' ' ' GLN . . . . . 0.472 ' OE1' ' CD2' ' B' ' 114' ' ' HIS . 0.0 OUTLIER -66.65 -27.54 67.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.785 0.326 . . . . 0.0 111.587 -179.378 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.16 126.94 6.53 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.463 -179.683 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 120' ' ' GLN . . . . . 0.437 ' O ' ' CD2' ' B' ' 123' ' ' HIS . 0.0 OUTLIER -68.44 -49.69 58.03 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.713 179.921 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 121' ' ' HIS . . . . . 0.41 ' O ' ' HB ' ' B' ' 124' ' ' THR . 4.2 m-70 -55.14 -33.31 62.81 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.399 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . 0.865 HD22 ' O ' ' B' ' 116' ' ' VAL . 26.6 tp -56.07 -50.56 70.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.718 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 123' ' ' HIS . . . . . 0.593 ' HA ' HD12 ' B' ' 126' ' ' LEU . 0.0 OUTLIER -52.43 -25.94 11.35 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.962 0.41 . . . . 0.0 110.169 179.597 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 124' ' ' THR . . . . . 0.533 HG21 HG23 ' A' ' 61' ' ' VAL . 9.2 m -76.79 -34.46 57.98 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.412 178.636 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . 0.514 HD13 HG12 ' A' ' 53' ' ' ILE . 16.6 mt -65.65 -40.16 92.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.338 179.078 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . 0.619 ' CB ' ' HB1' ' B' ' 85' ' ' ALA . 1.4 mp -68.4 -50.82 50.15 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.288 -179.604 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 127' ' ' ASP . . . . . 0.417 ' O ' ' OD1' ' B' ' 130' ' ' ASP . 72.5 m-20 -59.53 -48.74 80.47 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.97 0.414 . . . . 0.0 110.826 179.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . 0.894 HD21 ' CD2' ' C' ' 59' ' ' TYR . 96.2 mt -60.96 -40.38 93.12 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.952 0.405 . . . . 0.0 110.454 179.687 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 129' ' ' TYR . . . . . 0.928 ' CE2' HG23 ' A' ' 43' ' ' ILE . 0.2 OUTLIER -65.73 -50.58 64.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.209 -179.66 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 130' ' ' ASP . . . . . 0.709 ' OD2' ' HB2' ' B' ' 85' ' ' ALA . 4.2 p30 -75.23 -19.92 59.5 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.326 -179.687 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.11 -46.65 33.11 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.699 0.285 . . . . 0.0 111.077 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 132' ' ' ILE . . . . . 0.573 ' HB ' HD21 ' A' ' 48' ' ' LEU . 4.2 mt -74.58 -35.71 38.88 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 CA-C-O 120.899 0.38 . . . . 0.0 110.791 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 133' ' ' ASN . . . . . 0.412 ' HB2' HD23 ' A' ' 48' ' ' LEU . 3.4 t-20 -65.02 -26.49 68.3 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.313 -179.615 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 83.3 m -90.38 -27.5 19.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.106 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 135' ' ' LYS . . . . . 0.412 ' HD3' ' HB2' ' C' ' 51' ' ' ALA . 0.0 OUTLIER -59.67 -62.73 1.66 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.216 -179.91 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 84.2 p . . . . . 0 C--N 1.324 -0.508 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.206 -179.704 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 7' ' ' ARG . . . . . 0.698 ' HG3' HG23 ' C' ' 11' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.123 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 8' ' ' LYS . . . . . 0.613 ' HG2' HG21 ' C' ' 53' ' ' ILE . 39.0 mttt -66.23 -38.65 88.42 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 121.283 0.563 . . . . 0.0 109.703 178.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -75.45 -31.58 60.36 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.985 179.077 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 10' ' ' ASP . . . . . 0.59 ' HB3' HG22 ' D' ' 116' ' ' VAL . 87.3 m-20 -80.36 -29.81 37.93 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.645 179.717 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 11' ' ' THR . . . . . 0.698 HG23 ' HG3' ' C' ' 7' ' ' ARG . 21.6 p -77.45 -38.59 49.05 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.594 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -72.87 -37.27 67.4 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 179.34 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 -72.8 -28.2 62.43 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.849 178.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 14' ' ' ALA . . . . . 0.932 ' CB ' HG11 ' D' ' 116' ' ' VAL . . . -78.49 -55.54 5.14 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 178.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 15' ' ' LEU . . . . . 0.824 ' HA ' HD12 ' C' ' 18' ' ' LEU . 0.3 OUTLIER -60.74 -24.47 65.74 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.493 178.931 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 16' ' ' HIS . . . . . 0.424 ' HA ' ' HG2' ' C' ' 19' ' ' GLU . 39.9 t60 -73.27 -47.53 42.24 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 178.56 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . 0.906 HD22 ' CZ ' ' C' ' 21' ' ' TYR . 1.6 mt -63.54 -37.64 88.09 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.518 178.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . 0.859 HD22 HG11 ' D' ' 92' ' ' VAL . 20.7 mt -62.91 -49.93 72.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.096 -0.956 . . . . 0.0 111.077 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . 0.445 ' O ' ' HG2' ' C' ' 22' ' ' ARG . 4.6 pt-20 -60.23 -31.77 70.5 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.865 0.364 . . . . 0.0 110.649 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 20' ' ' GLU . . . . . 0.407 ' N ' ' HG3' ' C' ' 19' ' ' GLU . 0.5 OUTLIER -75.66 -35.36 60.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.954 179.368 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 21' ' ' TYR . . . . . 0.906 ' CZ ' HD22 ' C' ' 17' ' ' LEU . 19.1 m-85 -70.05 -47.29 62.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.574 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 22' ' ' ARG . . . . . 0.479 ' HA ' ' HB2' ' C' ' 25' ' ' LEU . 30.7 ptt85 -57.99 -47.33 83.32 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.559 179.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 23' ' ' SER . . . . . 0.442 ' N ' ' HG3' ' C' ' 22' ' ' ARG . 2.4 p -57.36 -40.86 78.97 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.701 179.589 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 24' ' ' LYS . . . . . . . . . . . . . 8.6 ptmt -93.34 4.68 53.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.965 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 25' ' ' LEU . . . . . 0.912 HD11 HG12 ' D' ' 99' ' ' ILE . 0.7 OUTLIER -92.34 -74.26 0.52 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.946 -179.109 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . 0.643 ' HB2' ' HD2' ' C' ' 31' ' ' ARG . 52.5 p -44.13 -28.26 0.48 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -178.35 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 27' ' ' GLN . . . . . 0.427 ' O ' ' HB ' ' C' ' 28' ' ' THR . 0.4 OUTLIER -70.9 55.49 0.18 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.833 0.349 . . . . 0.0 111.828 -178.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 28' ' ' THR . . . . . 0.819 HG22 ' O ' ' C' ' 25' ' ' LEU . 8.8 t -178.62 -60.28 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.741 179.427 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 29' ' ' GLU . . . . . 0.642 ' N ' HG23 ' C' ' 28' ' ' THR . 16.8 pt-20 -176.89 28.84 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.598 -179.186 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 30' ' ' ASP . . . . . 0.418 ' CB ' HD22 ' C' ' 25' ' ' LEU . 3.2 m-20 -134.83 44.81 2.6 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.955 0.407 . . . . 0.0 110.852 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . 0.643 ' HD2' ' HB2' ' C' ' 26' ' ' SER . 18.6 mmm180 -62.06 -47.24 85.57 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.389 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -40.31 89.69 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.311 0.577 . . . . 0.0 109.7 178.44 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 33' ' ' LEU . . . . . 0.73 HD21 ' HB3' ' D' ' 95' ' ' SER . 4.1 tp -59.87 -34.57 73.32 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.286 179.043 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 34' ' ' ARG . . . . . 0.621 ' HB2' ' HB3' ' C' ' 26' ' ' SER . 0.4 OUTLIER -61.11 -44.67 97.0 Favored 'General case' 0 CA--C 1.516 -0.346 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 178.721 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.64 -41.66 73.88 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.538 178.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 36' ' ' SER . . . . . 0.473 ' HB3' ' NE2' ' D' ' 91' ' ' GLN . 0.0 OUTLIER -63.45 -51.52 65.32 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.132 0.492 . . . . 0.0 110.164 179.379 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 37' ' ' ILE . . . . . 0.898 HD11 HD12 ' C' ' 25' ' ' LEU . 9.8 mt -57.88 -39.42 71.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.872 178.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.45 -46.02 73.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.083 -0.962 . . . . 0.0 110.547 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 39' ' ' ARG . . . . . 0.441 ' HB3' ' CB ' ' D' ' 88' ' ' ALA . 54.9 mtt180 -56.02 -49.68 73.02 Favored 'General case' 0 CA--C 1.514 -0.419 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 178.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . 0.608 ' O ' ' HB2' ' C' ' 44' ' ' PHE . 46.7 t -60.46 -32.82 52.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.693 179.664 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 41' ' ' ILE . . . . . 0.561 HD11 ' CB ' ' C' ' 18' ' ' LEU . 5.1 mm -70.25 -53.14 24.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 C-N-CA 121.016 -0.273 . . . . 0.0 111.562 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 11.3 t -64.53 -48.31 75.55 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-O 120.778 0.323 . . . . 0.0 111.049 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 43' ' ' ILE . . . . . 0.425 ' O ' ' CG ' ' C' ' 49' ' ' PHE . 8.5 mt -59.3 -34.6 54.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.28 179.623 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 44' ' ' PHE . . . . . 0.76 ' HB3' HD22 ' C' ' 15' ' ' LEU . 2.2 m-85 -72.71 -56.81 4.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.393 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 45' ' ' GLN . . . . . 0.451 ' NE2' HG22 ' C' ' 41' ' ' ILE . 3.2 pt20 -80.1 -9.18 59.69 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -177.563 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 46' ' ' SER . . . . . 0.485 ' OG ' ' HB2' ' C' ' 49' ' ' PHE . 21.9 p -46.99 144.98 2.25 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.868 0.366 . . . . 0.0 111.079 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.55 -40.04 81.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.912 -179.268 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . 0.744 ' O ' HD12 ' C' ' 48' ' ' LEU . 2.0 tp -72.62 -48.22 41.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.572 -0.286 . . . . 0.0 111.447 -179.261 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 49' ' ' PHE . . . . . 0.957 ' O ' HD23 ' C' ' 52' ' ' LEU . 43.0 t80 -51.83 -56.76 12.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.803 0.335 . . . . 0.0 111.285 -179.366 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -57.21 -38.09 73.19 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.111 0.482 . . . . 0.0 110.59 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 51' ' ' ALA . . . . . 0.412 ' HB2' ' HD3' ' B' ' 135' ' ' LYS . . . -60.83 -46.53 90.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.554 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 52' ' ' LEU . . . . . 1.057 HD11 ' HA ' ' D' ' 125' ' ' LEU . 0.1 OUTLIER -68.09 -32.61 73.05 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 120.606 -0.437 . . . . 0.0 110.513 -179.706 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 53' ' ' ILE . . . . . 0.879 HG12 HD13 ' D' ' 125' ' ' LEU . 49.5 mt -58.86 -39.8 78.42 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 178.232 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -63.06 -40.6 98.18 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.261 178.219 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 55' ' ' ILE . . . . . 0.731 HD12 ' HA ' ' C' ' 52' ' ' LEU . 96.7 mt -54.54 -47.06 72.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.497 178.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 56' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -50.92 -24.24 3.46 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.789 -0.642 . . . . 0.0 111.59 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 57' ' ' GLU . . . . . 0.414 ' O ' ' CD2' ' C' ' 58' ' ' PHE . 59.4 mt-10 -45.88 -30.1 1.61 Allowed 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.853 0.359 . . . . 0.0 111.013 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 58' ' ' PHE . . . . . 0.455 ' CB ' ' HB2' ' A' ' 65' ' ' ASP . 62.9 m-85 -156.9 27.4 0.32 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.086 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 59' ' ' TYR . . . . . 0.894 ' CD2' HD21 ' B' ' 128' ' ' LEU . 17.4 m-85 -134.22 74.84 1.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.644 179.718 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 60' ' ' GLU . . . . . 0.411 ' HB2' ' HB ' ' A' ' 62' ' ' THR . 1.3 mm-40 -59.4 102.08 0.13 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.944 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 61' ' ' VAL . . . . . 0.49 HG13 HG12 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -81.62 96.71 3.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.93 0.395 . . . . 0.0 110.865 179.814 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 62' ' ' THR . . . . . 0.492 ' HB ' ' HB2' ' A' ' 60' ' ' GLU . 2.7 m -81.24 114.07 19.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.214 179.537 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 63' ' ' LEU . . . . . 0.492 HD11 ' CZ ' ' A' ' 59' ' ' TYR . 0.2 OUTLIER -88.45 132.69 34.37 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.333 -179.587 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 64' ' ' LEU . . . . . 0.799 HD23 ' N ' ' C' ' 64' ' ' LEU . 0.1 OUTLIER -113.73 -22.77 10.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.721 179.631 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 65' ' ' ASP . . . . . 0.463 ' HB2' ' CD1' ' A' ' 58' ' ' PHE . 0.3 OUTLIER -167.92 -86.84 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.78 179.698 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 66' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 . . . . . 0 C--N 1.33 -0.241 0 CA-C-O 120.684 0.278 . . . . 0.0 111.051 179.728 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.68 0 N-CA-C 110.622 -0.991 . . . . 0.0 110.622 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 82' ' ' LEU . . . . . 0.868 ' N ' HD23 ' D' ' 82' ' ' LEU . 0.3 OUTLIER -74.61 -31.3 61.98 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.113 0.482 . . . . 0.0 109.941 179.134 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 83' ' ' LEU . . . . . 1.033 HD23 ' H ' ' D' ' 84' ' ' ALA . 0.2 OUTLIER -55.05 -50.68 68.49 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.156 -179.229 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 84' ' ' ALA . . . . . 1.033 ' H ' HD23 ' D' ' 83' ' ' LEU . . . -72.03 -26.48 62.22 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.304 -179.27 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 85' ' ' ALA . . . . . 0.885 ' HB1' ' HB2' ' D' ' 126' ' ' LEU . . . -52.84 -26.35 14.31 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.989 0.423 . . . . 0.0 110.41 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 86' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -123.3 -41.48 2.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.699 178.757 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 87' ' ' ARG . . . . . 0.8 ' HB3' ' O ' ' D' ' 83' ' ' LEU . 13.5 ttt180 -61.68 -52.54 63.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.996 178.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 88' ' ' ALA . . . . . 0.701 ' HB3' ' O ' ' D' ' 84' ' ' ALA . . . -58.63 -40.08 82.32 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.864 179.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 89' ' ' VAL . . . . . 0.5 ' CG1' ' HB3' ' D' ' 117' ' ' PHE . 59.7 t -65.61 -56.24 16.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.322 179.228 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.63 -22.88 64.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.897 179.471 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 91' ' ' GLN . . . . . 0.531 ' NE2' ' HA ' ' D' ' 88' ' ' ALA . 11.7 mt-30 -67.43 -57.25 6.91 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-O 121.276 0.56 . . . . 0.0 109.787 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 92' ' ' VAL . . . . . 0.859 HG11 HD22 ' C' ' 18' ' ' LEU . 8.2 t -69.49 -28.29 37.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.926 179.042 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 93' ' ' LEU . . . . . 0.791 HD21 ' HA ' ' D' ' 114' ' ' HIS . 3.7 mt -69.72 -26.99 64.6 Favored 'General case' 0 N--CA 1.457 -0.121 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.152 179.453 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.34 -45.46 10.56 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-O 120.881 0.372 . . . . 0.0 111.183 -179.663 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 95' ' ' SER . . . . . 0.73 ' HB3' HD21 ' C' ' 33' ' ' LEU . 0.5 OUTLIER -79.7 -9.64 59.67 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.801 -179.5 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 96' ' ' LEU . . . . . 0.785 HD13 ' HB3' ' D' ' 110' ' ' LEU . 0.1 OUTLIER -43.5 -52.12 6.31 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.065 0.459 . . . . 0.0 111.829 -179.575 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -68.19 -27.29 66.27 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.108 -179.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 98' ' ' GLU . . . . . 0.819 ' O ' ' HB3' ' D' ' 101' ' ' ALA . 0.1 OUTLIER -71.6 -35.77 70.61 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 178.143 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 99' ' ' ILE . . . . . 0.912 HG12 HD11 ' C' ' 25' ' ' LEU . 86.3 mt -59.55 -49.71 82.66 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.7 0 CA-C-N 114.677 -1.147 . . . . 0.0 109.605 178.329 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 100' ' ' HIS . . . . . 0.904 ' HB2' HD11 ' D' ' 110' ' ' LEU . 1.7 t-160 -57.79 -34.76 69.97 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 178.339 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 101' ' ' ALA . . . . . 0.819 ' HB3' ' O ' ' D' ' 98' ' ' GLU . . . -54.71 -43.09 72.27 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.569 -1.196 . . . . 0.0 111.665 179.334 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 102' ' ' LEU . . . . . 0.785 HD21 ' OE2' ' D' ' 98' ' ' GLU . 0.3 OUTLIER -118.49 22.18 12.21 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 -177.509 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 103' ' ' THR . . . . . 0.694 HG23 HD12 ' D' ' 102' ' ' LEU . 36.6 p -143.09 -8.19 0.8 Allowed 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 112.509 0.559 . . . . 0.0 112.509 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 2.8 t0 55.3 22.26 4.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.833 0.349 . . . . 0.0 110.97 -179.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 105' ' ' SER . . . . . 0.46 ' HB3' ' CE1' ' C' ' 21' ' ' TYR . 12.1 p -57.51 -23.05 47.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.946 179.601 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 106' ' ' SER . . . . . . . . . . . . . 1.7 p 79.42 127.98 0.05 OUTLIER 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.003 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 107' ' ' GLU . . . . . 0.573 ' HA ' HD12 ' D' ' 110' ' ' LEU . 2.5 mm-40 -54.72 -23.61 18.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.909 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.3 -55.17 38.41 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 121.021 0.439 . . . . 0.0 110.132 179.518 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 109' ' ' ASP . . . . . 0.789 ' O ' HD12 ' D' ' 113' ' ' LEU . 4.5 m-20 -63.19 -38.56 91.66 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.828 179.13 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 110' ' ' LEU . . . . . 0.904 HD11 ' HB2' ' D' ' 100' ' ' HIS . 61.8 mt -64.42 -35.23 80.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.301 179.298 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 111' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -63.19 -48.83 76.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.692 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 112' ' ' PHE . . . . . 0.551 ' O ' HG23 ' D' ' 116' ' ' VAL . 2.0 t80 -59.03 -41.37 87.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.453 179.772 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 113' ' ' LEU . . . . . 0.789 HD12 ' O ' ' D' ' 109' ' ' ASP . 0.4 OUTLIER -71.68 -38.89 70.56 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.174 -179.582 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 114' ' ' HIS . . . . . 0.791 ' HA ' HD21 ' D' ' 93' ' ' LEU . 0.3 OUTLIER -60.6 -35.19 75.51 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 178.877 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 115' ' ' SER . . . . . . . . . . . . . 8.7 t -72.4 -35.51 68.42 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 177.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 116' ' ' VAL . . . . . 0.932 HG11 ' CB ' ' C' ' 14' ' ' ALA . 17.6 t -65.06 -23.81 34.12 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 CA-C-N 115.056 -0.974 . . . . 0.0 109.392 177.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 117' ' ' PHE . . . . . 0.781 ' CZ ' HD11 ' C' ' 18' ' ' LEU . 7.6 m-85 -100.68 -25.92 13.98 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.294 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 118' ' ' GLN . . . . . 0.425 ' NE2' ' CE1' ' D' ' 114' ' ' HIS . 0.0 OUTLIER -73.79 -26.89 60.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.36 -179.481 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -41.46 134.54 2.28 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.938 -179.267 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 120' ' ' GLN . . . . . . . . . . . . . 4.6 tm0? -71.6 -50.45 30.77 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.665 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 121' ' ' HIS . . . . . . . . . . . . . 23.1 m80 -55.87 -34.26 65.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.447 179.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 122' ' ' LEU . . . . . 0.871 HD22 ' O ' ' D' ' 116' ' ' VAL . 53.6 tp -56.07 -47.78 77.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.098 179.5 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 123' ' ' HIS . . . . . 0.798 ' HA ' HD12 ' D' ' 126' ' ' LEU . 91.4 m-70 -53.03 -27.5 19.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.152 0.501 . . . . 0.0 109.952 178.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 124' ' ' THR . . . . . 0.42 HG22 ' CD1' ' D' ' 128' ' ' LEU . 4.6 m -77.77 -30.41 51.42 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.666 179.082 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 125' ' ' LEU . . . . . 1.057 ' HA ' HD11 ' C' ' 52' ' ' LEU . 28.6 mt -69.47 -43.87 72.34 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.334 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 126' ' ' LEU . . . . . 0.885 ' HB2' ' HB1' ' D' ' 85' ' ' ALA . 0.3 OUTLIER -71.41 -39.35 71.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.977 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 127' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -66.85 -41.74 86.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.573 -179.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 128' ' ' LEU . . . . . 0.974 HD21 ' CD2' ' A' ' 59' ' ' TYR . 72.3 mt -75.82 -40.25 55.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.921 0.391 . . . . 0.0 110.862 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 129' ' ' TYR . . . . . 0.419 ' O ' HD23 ' C' ' 48' ' ' LEU . 2.4 t80 -55.6 -51.31 67.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.905 -179.683 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 130' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -75.57 -29.62 59.39 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 131' ' ' LYS . . . . . 0.891 ' O ' HG22 ' D' ' 134' ' ' THR . 0.2 OUTLIER -58.22 -49.91 75.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.697 179.76 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 132' ' ' ILE . . . . . 0.872 ' CG1' HD11 ' A' ' 55' ' ' ILE . 2.5 mt -75.42 -33.25 27.08 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 CA-C-O 121.006 0.432 . . . . 0.0 110.808 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 133' ' ' ASN . . . . . 0.465 ' HB2' HD23 ' C' ' 48' ' ' LEU . 7.0 t-20 -72.58 -25.88 61.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.26 -179.56 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 134' ' ' THR . . . . . 0.891 HG22 ' O ' ' D' ' 131' ' ' LYS . 4.6 t -65.81 -30.46 71.09 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.241 -179.582 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 135' ' ' LYS . . . . . 0.543 ' CD ' ' HB2' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -94.77 -30.96 13.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.051 -179.834 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 136' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.893 179.953 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.7 mtm180 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.407 ' HA ' ' OG1' ' A' ' 11' ' ' THR . 0.1 OUTLIER -64.0 -37.94 89.24 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 179.247 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -72.39 -32.43 66.39 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.604 178.635 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.54 ' HB3' HG22 ' B' ' 116' ' ' VAL . 4.7 m-20 -76.96 -29.91 55.79 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.36 179.724 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.426 HG21 HD13 ' A' ' 53' ' ' ILE . 1.3 p -70.24 -42.83 71.7 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.284 179.696 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.32 -35.2 71.15 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 179.23 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.6 tpt180 -76.04 -25.27 55.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.85 178.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.823 ' CB ' HG11 ' B' ' 116' ' ' VAL . . . -78.68 -54.52 6.03 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.563 178.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.865 ' HA ' HD12 ' A' ' 18' ' ' LEU . 0.4 OUTLIER -63.92 -26.85 68.78 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.687 179.363 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 19.6 t-160 -73.62 -45.02 55.47 Favored 'General case' 0 CA--C 1.519 -0.215 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.939 HD22 ' CE1' ' A' ' 21' ' ' TYR . 2.0 mt -62.61 -37.15 85.14 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.344 178.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.898 HD22 HG11 ' B' ' 92' ' ' VAL . 47.0 mt -60.24 -48.2 82.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.521 179.657 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.419 ' O ' ' CG ' ' A' ' 22' ' ' ARG . 34.4 mt-10 -57.81 -44.0 86.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.772 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.44 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 14.0 mt-10 -70.16 -34.59 73.21 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.153 0.501 . . . . 0.0 109.695 179.427 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.939 ' CE1' HD22 ' A' ' 17' ' ' LEU . 12.0 m-30 -66.09 -46.43 77.66 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.906 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.419 ' CG ' ' O ' ' A' ' 19' ' ' GLU . 38.0 ptt85 -60.18 -39.69 87.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.897 0.38 . . . . 0.0 110.217 179.438 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.44 -46.41 80.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.264 179.268 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.44 ' HG3' ' O ' ' A' ' 20' ' ' GLU . 38.3 mtpt -81.05 -23.41 38.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.981 179.425 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.904 HD12 HD11 ' A' ' 37' ' ' ILE . 0.2 OUTLIER -69.6 -74.1 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.872 -179.185 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.461 ' HB3' ' HB2' ' A' ' 34' ' ' ARG . 1.4 p -57.16 -162.73 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.437 -179.145 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.406 ' OE1' ' NH1' ' A' ' 31' ' ' ARG . 1.5 mp0 60.58 30.22 19.58 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.423 -179.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.628 HG23 ' H ' ' A' ' 29' ' ' GLU . 6.0 t -154.25 -58.57 0.12 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.295 -179.587 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.628 ' H ' HG23 ' A' ' 28' ' ' THR . 17.0 pt-20 -174.97 28.25 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.756 -179.28 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.402 ' CB ' HD22 ' A' ' 25' ' ' LEU . 0.7 OUTLIER -146.99 53.48 1.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.018 0.437 . . . . 0.0 110.931 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.406 ' NH1' ' OE1' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -64.78 -49.37 70.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.024 179.588 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.83 -51.34 69.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.117 179.214 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.806 ' CD2' HD11 ' A' ' 25' ' ' LEU . 35.6 tp -52.6 -35.02 53.42 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.074 179.027 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.461 ' HB2' ' HB3' ' A' ' 26' ' ' SER . 6.6 ttp180 -60.51 -41.86 95.2 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 178.63 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.2 t -60.45 -34.56 74.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.171 179.104 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.512 ' O ' ' HG2' ' A' ' 39' ' ' ARG . 0.8 OUTLIER -66.69 -46.22 76.31 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.233 0.539 . . . . 0.0 110.387 179.509 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.904 HD11 HD12 ' A' ' 25' ' ' LEU . 52.4 mt -61.15 -39.53 82.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.867 178.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -62.19 -51.52 67.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.122 -0.945 . . . . 0.0 111.914 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.772 ' HG3' ' HB1' ' B' ' 88' ' ' ALA . 4.5 ptp180 -55.33 -38.52 68.84 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.04 -179.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.437 HG12 ' CD1' ' A' ' 44' ' ' PHE . 88.0 t -63.93 -40.95 90.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 178.405 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.581 HG12 ' O ' ' A' ' 37' ' ' ILE . 8.3 mm -55.36 -56.6 10.79 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.164 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.363 179.506 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.9 t -60.03 -47.55 85.4 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.914 0.388 . . . . 0.0 110.787 -179.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.427 ' O ' ' CG ' ' A' ' 49' ' ' PHE . 22.1 mt -59.86 -34.26 55.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.078 179.333 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.74 ' HB3' HD22 ' A' ' 15' ' ' LEU . 1.2 m-85 -72.47 -57.62 4.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.768 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -77.98 -2.26 36.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.788 -179.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.55 ' HG ' ' HE1' ' B' ' 129' ' ' TYR . 0.1 OUTLIER -49.44 141.23 9.35 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.931 0.396 . . . . 0.0 111.046 -179.858 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.98 -36.07 76.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.328 -179.522 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.841 ' O ' HD12 ' A' ' 48' ' ' LEU . 0.9 OUTLIER -79.44 -45.27 19.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.147 -179.759 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.621 ' CE1' HD23 ' B' ' 126' ' ' LEU . 51.2 t80 -51.15 -56.17 14.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.264 -179.52 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -56.91 -36.67 70.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.891 0.377 . . . . 0.0 110.519 179.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.18 -44.34 92.19 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.405 179.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.577 HD21 ' HB3' ' B' ' 128' ' ' LEU . 3.6 mt -60.75 -43.7 97.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.979 179.177 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.852 HG12 HD13 ' B' ' 125' ' ' LEU . 7.1 mt -55.24 -39.57 52.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.621 179.48 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -63.33 -44.02 96.11 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.235 179.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.534 HG22 ' HB2' ' A' ' 59' ' ' TYR . 64.1 mt -62.03 -35.63 69.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.633 179.369 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -57.17 -18.09 13.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.685 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.432 ' O ' ' CD1' ' A' ' 58' ' ' PHE . 5.8 mm-40 -43.84 -46.26 7.81 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 120.672 0.272 . . . . 0.0 111.6 -179.679 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.486 ' CD1' ' HB2' ' C' ' 65' ' ' ASP . 15.8 m-85 -149.14 30.38 0.78 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.642 -179.695 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.84 ' CE2' HD11 ' C' ' 63' ' ' LEU . 9.3 m-85 -129.83 71.17 1.44 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.816 179.654 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.462 ' HG3' HD22 ' C' ' 64' ' ' LEU . 1.6 mt-10 -58.51 93.97 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.84 0.352 . . . . 0.0 110.799 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.659 HG23 HG21 ' B' ' 124' ' ' THR . 0.0 OUTLIER -72.92 98.88 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.102 -179.908 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.401 ' HB ' ' HB2' ' C' ' 60' ' ' GLU . 5.5 m -78.94 121.69 25.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.328 179.542 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.514 HD11 ' CZ ' ' C' ' 59' ' ' TYR . 0.1 OUTLIER -93.67 131.58 38.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.033 0.444 . . . . 0.0 111.213 -179.914 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.643 ' N ' HD23 ' A' ' 64' ' ' LEU . 0.1 OUTLIER -115.84 -24.71 8.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.918 -179.887 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.405 ' HB2' ' CB ' ' C' ' 58' ' ' PHE . 0.5 OUTLIER -84.24 5.94 24.64 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.009 179.664 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 . . . . . 0 C--N 1.332 -0.191 0 CA-C-O 120.711 0.291 . . . . 0.0 111.137 -179.947 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.485 0 N-CA-C 109.329 -1.508 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.419 ' HB2' ' OD2' ' B' ' 130' ' ' ASP . 8.2 tt -91.41 -29.17 17.21 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 114.366 -0.917 . . . . 0.0 109.323 178.29 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . 0.947 HD23 ' H ' ' B' ' 84' ' ' ALA . 0.5 OUTLIER -73.18 -43.76 60.92 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.457 179.422 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 1.114 ' HB1' ' HB2' ' B' ' 88' ' ' ALA . . . -79.62 -17.78 53.05 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 114.875 -1.057 . . . . 0.0 111.052 -179.723 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 85' ' ' ALA . . . . . 0.868 ' HB1' ' HB3' ' B' ' 126' ' ' LEU . . . -51.75 -24.49 5.94 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 178.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -127.24 -36.89 2.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.973 178.36 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 87' ' ' ARG . . . . . 0.655 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 17.1 ttt-85 -69.86 -34.75 74.02 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.961 179.726 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . 1.114 ' HB2' ' HB1' ' B' ' 84' ' ' ALA . . . -73.45 -41.53 63.09 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.792 -179.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 89' ' ' VAL . . . . . 0.649 HG13 ' CD1' ' B' ' 117' ' ' PHE . 40.8 t -69.88 -34.2 59.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.319 179.242 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 90' ' ' SER . . . . . 0.432 ' HA ' ' HB2' ' B' ' 93' ' ' LEU . 1.2 m -75.16 -27.58 59.75 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.598 179.43 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 91' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -66.92 -55.55 14.15 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-O 121.3 0.571 . . . . 0.0 109.697 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 92' ' ' VAL . . . . . 0.898 HG11 HD22 ' A' ' 18' ' ' LEU . 6.8 t -66.54 -27.7 41.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.844 179.095 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . 0.742 HD21 ' HA ' ' B' ' 114' ' ' HIS . 2.9 mt -65.86 -35.9 81.95 Favored 'General case' 0 N--CA 1.458 -0.067 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.507 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -81.8 -39.59 23.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.947 0.403 . . . . 0.0 111.067 -179.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 95' ' ' SER . . . . . 0.686 ' OG ' HD11 ' A' ' 33' ' ' LEU . 1.2 p -80.08 -20.18 45.76 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.257 -179.444 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . 0.525 HD22 HD22 ' B' ' 110' ' ' LEU . 0.1 OUTLIER -34.71 -52.84 0.53 Allowed 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 112.643 0.609 . . . . 0.0 112.643 -179.036 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -71.38 -29.55 65.08 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.005 0.431 . . . . 0.0 111.285 -179.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . 0.812 ' O ' ' HB3' ' B' ' 101' ' ' ALA . 0.2 OUTLIER -69.95 -33.02 71.56 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 177.76 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 99' ' ' ILE . . . . . 0.562 HG23 HG21 ' B' ' 103' ' ' THR . 13.8 mt -63.01 -49.55 83.12 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.879 0 CA-C-N 114.556 -1.202 . . . . 0.0 109.963 178.642 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . 0.857 ' HB2' HD11 ' B' ' 110' ' ' LEU . 1.9 t-160 -56.9 -34.29 67.76 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 177.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . 0.812 ' HB3' ' O ' ' B' ' 98' ' ' GLU . . . -55.44 -44.94 76.81 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.432 -1.258 . . . . 0.0 111.667 179.255 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 102' ' ' LEU . . . . . 0.689 HD12 HG23 ' B' ' 103' ' ' THR . 0.3 OUTLIER -117.03 21.51 13.18 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -177.661 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 103' ' ' THR . . . . . 0.689 HG23 HD12 ' B' ' 102' ' ' LEU . 28.4 p -140.32 -5.74 1.23 Allowed 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 179.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 45.9 26.7 0.41 Allowed 'General case' 0 CA--C 1.528 0.133 0 CA-C-O 120.851 0.358 . . . . 0.0 111.061 -179.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 105' ' ' SER . . . . . 0.449 ' HB3' ' CE1' ' A' ' 21' ' ' TYR . 0.0 OUTLIER -50.54 -83.03 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.991 179.906 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 165.36 105.3 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.286 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -47.3 -34.91 7.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.881 0.372 . . . . 0.0 110.836 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 9.8 tptm -63.1 -47.59 82.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.105 0.479 . . . . 0.0 109.836 179.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 109' ' ' ASP . . . . . 0.691 ' O ' HD12 ' B' ' 113' ' ' LEU . 56.4 m-20 -65.19 -37.36 87.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.85 178.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 110' ' ' LEU . . . . . 0.857 HD11 ' HB2' ' B' ' 100' ' ' HIS . 29.6 mt -59.89 -41.49 91.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.152 179.15 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 111' ' ' ASP . . . . . 0.428 ' HA ' ' HD2' ' B' ' 114' ' ' HIS . 0.6 OUTLIER -64.22 -42.1 96.73 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.708 179.851 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -58.42 -37.33 75.15 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.253 179.595 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 113' ' ' LEU . . . . . 0.691 HD12 ' O ' ' B' ' 109' ' ' ASP . 0.5 OUTLIER -76.62 -29.28 56.42 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.739 179.764 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 114' ' ' HIS . . . . . 0.742 ' HA ' HD21 ' B' ' 93' ' ' LEU . 0.0 OUTLIER -62.86 -33.99 76.41 Favored 'General case' 0 CA--C 1.519 -0.249 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 178.526 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 28.5 t -75.98 -38.97 56.87 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 178.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 116' ' ' VAL . . . . . 0.823 HG11 ' CB ' ' A' ' 14' ' ' ALA . 25.4 t -61.72 -23.55 31.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.799 178.429 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 117' ' ' PHE . . . . . 0.649 ' CD1' HG13 ' B' ' 89' ' ' VAL . 21.9 m-85 -100.39 -31.47 11.3 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.442 -179.648 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 118' ' ' GLN . . . . . 0.481 ' NE2' HD11 ' B' ' 93' ' ' LEU . 0.0 OUTLIER -67.34 -29.34 68.86 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 111.93 0.345 . . . . 0.0 111.93 -178.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 119' ' ' ASP . . . . . 0.41 ' HB3' ' HB2' ' B' ' 122' ' ' LEU . 0.4 OUTLIER -43.89 117.75 1.27 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.899 0.381 . . . . 0.0 111.623 -179.306 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -60.78 -44.59 96.6 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.84 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 20.9 m170 -55.45 -33.31 63.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.638 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . 0.807 HD22 ' O ' ' B' ' 116' ' ' VAL . 25.7 tp -55.46 -48.65 74.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.762 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 123' ' ' HIS . . . . . 0.942 ' HA ' HD12 ' B' ' 126' ' ' LEU . 0.0 OUTLIER -55.34 -25.78 36.91 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 179.206 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 124' ' ' THR . . . . . 0.659 HG21 HG23 ' A' ' 61' ' ' VAL . 1.4 m -74.85 -37.74 62.15 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.475 178.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . 0.852 HD13 HG12 ' A' ' 53' ' ' ILE . 2.1 mt -73.1 -31.99 64.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.499 178.62 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . 0.942 HD12 ' HA ' ' B' ' 123' ' ' HIS . 5.7 mt -73.23 -50.44 22.41 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.648 179.705 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -65.43 -42.84 92.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.226 179.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . 0.907 HD21 ' CD2' ' C' ' 59' ' ' TYR . 80.5 mt -68.49 -33.03 73.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.209 179.348 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 129' ' ' TYR . . . . . 0.55 ' HE1' ' HG ' ' A' ' 46' ' ' SER . 4.5 t80 -58.64 -52.73 64.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.77 -179.618 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 130' ' ' ASP . . . . . 0.419 ' OD2' ' HB2' ' B' ' 82' ' ' LEU . 0.3 OUTLIER -76.74 -26.58 54.75 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.831 -0.347 . . . . 0.0 111.259 179.589 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 131' ' ' LYS . . . . . 0.415 ' HB2' ' HA ' ' B' ' 128' ' ' LEU . 2.1 mmmp? -54.99 -54.05 47.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.634 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 132' ' ' ILE . . . . . 0.758 HD12 ' O ' ' B' ' 128' ' ' LEU . 1.9 mt -75.96 -38.64 36.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 133' ' ' ASN . . . . . 0.529 ' HB2' HD23 ' A' ' 48' ' ' LEU . 27.9 t30 -64.18 -32.03 73.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 67.5 m -84.61 -18.71 34.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.546 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.63 -69.19 0.29 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.945 0.402 . . . . 0.0 110.441 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.713 179.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 7' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 1.6 tttm -61.14 -40.37 93.57 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 121.186 0.517 . . . . 0.0 109.741 179.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -75.45 -29.67 59.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.284 179.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 10' ' ' ASP . . . . . 0.703 ' HB3' HG22 ' D' ' 116' ' ' VAL . 77.2 m-20 -77.54 -29.91 52.53 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.612 179.667 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 11' ' ' THR . . . . . 0.691 HG22 ' HE1' ' C' ' 44' ' ' PHE . 1.1 p -73.72 -44.3 56.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.42 179.601 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 12' ' ' GLN . . . . . 0.57 ' HA ' HD23 ' C' ' 15' ' ' LEU . 0.4 OUTLIER -68.28 -39.36 82.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.424 179.581 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 6.0 tpp85 -74.22 -25.12 59.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.156 179.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 14' ' ' ALA . . . . . 0.799 ' CB ' HG11 ' D' ' 116' ' ' VAL . . . -78.61 -48.4 15.19 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.155 179.22 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 15' ' ' LEU . . . . . 0.776 HD22 ' HB3' ' C' ' 44' ' ' PHE . 0.4 OUTLIER -67.51 -26.38 66.32 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.831 179.78 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 16' ' ' HIS . . . . . 0.411 ' HB2' ' O ' ' C' ' 12' ' ' GLN . 3.9 t60 -73.54 -48.14 35.38 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 178.55 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . 0.937 HD22 ' CE1' ' C' ' 21' ' ' TYR . 1.3 mt -60.97 -37.87 83.95 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.461 -0.791 . . . . 0.0 109.466 178.625 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . 0.883 ' CD2' HG11 ' D' ' 92' ' ' VAL . 23.7 mt -60.55 -50.38 73.76 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.845 -1.071 . . . . 0.0 110.822 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . 0.424 ' O ' ' CG ' ' C' ' 22' ' ' ARG . 0.8 OUTLIER -57.87 -36.41 72.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.682 179.942 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 20' ' ' GLU . . . . . 0.504 ' O ' ' HG3' ' C' ' 24' ' ' LYS . 3.2 mt-10 -71.86 -36.61 70.17 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.028 179.529 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 21' ' ' TYR . . . . . 0.937 ' CE1' HD22 ' C' ' 17' ' ' LEU . 7.6 m-30 -64.4 -49.17 72.61 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.461 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 22' ' ' ARG . . . . . 0.439 ' HB2' ' CG ' ' C' ' 34' ' ' ARG . 0.4 OUTLIER -55.85 -42.74 76.28 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 120.801 0.334 . . . . 0.0 110.462 179.28 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 23' ' ' SER . . . . . 0.427 ' O ' ' HG3' ' C' ' 27' ' ' GLN . 1.5 m -63.25 -29.43 70.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.415 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 24' ' ' LYS . . . . . 0.504 ' HG3' ' O ' ' C' ' 20' ' ' GLU . 0.0 OUTLIER -119.64 22.81 11.48 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-O 120.82 0.343 . . . . 0.0 111.391 -179.88 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 25' ' ' LEU . . . . . 0.747 HD23 HD13 ' D' ' 102' ' ' LEU . 0.0 OUTLIER -126.63 -62.52 1.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.778 -179.561 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . 0.467 ' HB2' ' CD ' ' C' ' 34' ' ' ARG . 30.8 m -69.27 -13.64 62.5 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.435 -178.352 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 27' ' ' GLN . . . . . 0.427 ' HG3' ' O ' ' C' ' 23' ' ' SER . 2.4 mm-40 -83.07 56.71 3.59 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.853 0.358 . . . . 0.0 110.718 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 28' ' ' THR . . . . . 0.456 ' CG2' ' N ' ' C' ' 29' ' ' GLU . 1.6 t -171.61 -50.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.325 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 29' ' ' GLU . . . . . 0.456 ' N ' ' CG2' ' C' ' 28' ' ' THR . 18.9 pt-20 -172.69 27.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.695 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -139.65 48.93 1.81 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.865 0.364 . . . . 0.0 111.403 -179.736 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . 0.416 ' NH1' ' OE1' ' C' ' 27' ' ' GLN . 1.0 OUTLIER -59.13 -51.74 68.73 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 121.075 0.464 . . . . 0.0 110.356 179.528 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -55.02 -45.31 75.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.252 0.548 . . . . 0.0 109.7 178.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 33' ' ' LEU . . . . . 0.508 ' CD2' HD11 ' C' ' 25' ' ' LEU . 3.5 tp -54.97 -33.66 62.6 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.899 178.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 34' ' ' ARG . . . . . 0.467 ' CD ' ' HB2' ' C' ' 26' ' ' SER . 2.0 ttp180 -60.47 -48.78 80.25 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.361 178.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 47.2 t -55.35 -37.12 67.06 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.86 -1.064 . . . . 0.0 110.781 179.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 36' ' ' SER . . . . . 0.477 ' HB3' HE21 ' D' ' 91' ' ' GLN . 66.4 m -67.92 -51.86 42.9 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.977 0.418 . . . . 0.0 110.354 179.564 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 37' ' ' ILE . . . . . 0.668 ' O ' HG12 ' C' ' 41' ' ' ILE . 63.6 mt -58.47 -38.44 70.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.273 0.559 . . . . 0.0 109.526 178.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -59.3 -52.45 65.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 114.98 -1.009 . . . . 0.0 111.97 -179.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 39' ' ' ARG . . . . . 0.69 ' HG3' ' HB1' ' D' ' 88' ' ' ALA . 3.9 ptp180 -57.1 -41.38 78.82 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.316 -0.554 . . . . 0.0 110.001 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . 0.63 HG12 ' CD2' ' C' ' 44' ' ' PHE . 66.4 t -60.98 -31.61 50.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.482 -0.327 . . . . 0.0 110.285 178.419 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 41' ' ' ILE . . . . . 0.725 HD11 ' CB ' ' C' ' 18' ' ' LEU . 20.0 mm -68.23 -61.16 1.8 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.883 179.476 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 48.0 t -55.41 -46.5 76.63 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-O 121.114 0.483 . . . . 0.0 110.455 -179.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 43' ' ' ILE . . . . . 0.464 HG23 ' CE2' ' D' ' 129' ' ' TYR . 8.8 mt -59.99 -33.19 52.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.838 178.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 44' ' ' PHE . . . . . 0.776 ' HB3' HD22 ' C' ' 15' ' ' LEU . 0.3 OUTLIER -71.99 -59.0 2.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.451 179.753 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 45' ' ' GLN . . . . . 0.406 ' HG2' ' O ' ' C' ' 41' ' ' ILE . 5.4 pt20 -75.47 -4.18 38.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.863 -179.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 46' ' ' SER . . . . . 0.411 ' OG ' ' CZ ' ' D' ' 129' ' ' TYR . 0.3 OUTLIER -47.98 137.51 10.08 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.924 0.392 . . . . 0.0 111.17 -179.865 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.12 -39.27 81.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.287 -179.724 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . 0.749 ' O ' HD12 ' C' ' 48' ' ' LEU . 2.6 tp -75.38 -45.36 39.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.073 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 49' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -51.17 -53.48 34.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.722 0.296 . . . . 0.0 111.141 -179.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 50' ' ' GLN . . . . . 0.538 ' OE1' HD12 ' C' ' 53' ' ' ILE . 20.7 mm-40 -57.35 -38.66 74.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.595 179.53 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.79 -43.1 90.4 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.06 0.457 . . . . 0.0 110.304 179.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 1.9 mt -61.46 -44.22 97.49 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.076 179.198 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 53' ' ' ILE . . . . . 0.538 HD12 ' OE1' ' C' ' 50' ' ' GLN . 45.3 mt -54.69 -40.07 49.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.674 179.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -66.44 -38.76 88.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.232 179.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 55' ' ' ILE . . . . . 0.735 HG22 ' HB2' ' C' ' 59' ' ' TYR . 69.0 mt -59.14 -46.0 92.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.547 179.409 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 56' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -52.06 -24.48 6.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.468 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 57' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -48.83 -30.4 5.71 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.277 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 58' ' ' PHE . . . . . 0.405 ' CB ' ' HB2' ' A' ' 65' ' ' ASP . 54.1 m-85 -155.95 25.19 0.38 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.56 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 59' ' ' TYR . . . . . 0.907 ' CD2' HD21 ' B' ' 128' ' ' LEU . 42.7 m-85 -134.89 72.83 1.46 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.255 179.502 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 60' ' ' GLU . . . . . 0.413 ' HG3' HD21 ' A' ' 64' ' ' LEU . 28.4 mt-10 -60.43 99.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.017 -179.447 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 61' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -72.68 96.68 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.984 0.421 . . . . 0.0 110.296 179.568 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 62' ' ' THR . . . . . 0.402 ' HB ' ' HB2' ' A' ' 60' ' ' GLU . 3.5 m -82.36 120.14 25.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.121 -179.574 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 63' ' ' LEU . . . . . 0.84 HD11 ' CE2' ' A' ' 59' ' ' TYR . 0.9 OUTLIER -89.87 124.51 34.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.139 179.333 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 64' ' ' LEU . . . . . 0.664 HD23 ' N ' ' C' ' 64' ' ' LEU . 0.1 OUTLIER -109.52 -26.43 9.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.256 -179.846 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 65' ' ' ASP . . . . . 0.486 ' HB2' ' CD1' ' A' ' 58' ' ' PHE . 0.1 OUTLIER -142.67 3.86 1.49 Allowed 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -179.822 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 66' ' ' ASN . . . . . 0.521 ' HB3' HD23 ' C' ' 63' ' ' LEU . 5.8 p30 . . . . . 0 N--CA 1.467 0.4 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.498 0 N-CA-C 110.641 -0.983 . . . . 0.0 110.641 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 82' ' ' LEU . . . . . 0.602 HD12 ' N ' ' D' ' 82' ' ' LEU . 0.5 OUTLIER -92.28 -9.3 42.54 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 178.407 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 83' ' ' LEU . . . . . 0.977 HD23 ' H ' ' D' ' 84' ' ' ALA . 0.4 OUTLIER -75.23 -44.92 43.46 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.881 179.876 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 84' ' ' ALA . . . . . 0.977 ' H ' HD23 ' D' ' 83' ' ' LEU . . . -82.51 -21.08 35.61 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.996 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 85' ' ' ALA . . . . . 0.882 ' HB1' ' HB2' ' D' ' 126' ' ' LEU . . . -52.02 -26.09 9.98 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-O 121.142 0.496 . . . . 0.0 110.179 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 86' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -124.93 -33.36 2.93 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.094 178.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 87' ' ' ARG . . . . . 0.727 ' HB3' ' O ' ' D' ' 83' ' ' LEU . 26.9 ttt180 -69.15 -53.5 19.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.664 178.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 88' ' ' ALA . . . . . 0.938 ' HB2' ' HB1' ' D' ' 84' ' ' ALA . . . -57.92 -42.51 84.94 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.783 179.489 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 89' ' ' VAL . . . . . 0.813 HG13 ' CD1' ' D' ' 117' ' ' PHE . 44.0 t -72.58 -56.12 10.89 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.515 179.486 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 90' ' ' SER . . . . . 0.409 ' HA ' ' HB2' ' D' ' 93' ' ' LEU . 63.5 m -58.8 -25.01 62.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.319 179.103 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 91' ' ' GLN . . . . . 0.477 HE21 ' HB3' ' C' ' 36' ' ' SER . 8.2 mt-30 -66.77 -58.08 5.78 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.773 179.323 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 92' ' ' VAL . . . . . 0.883 HG11 ' CD2' ' C' ' 18' ' ' LEU . 16.9 t -67.76 -27.95 39.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.877 179.277 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 93' ' ' LEU . . . . . 0.718 HD21 ' HA ' ' D' ' 114' ' ' HIS . 2.5 mt -66.34 -33.54 75.96 Favored 'General case' 0 N--CA 1.456 -0.164 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.9 179.252 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -88.16 -30.68 19.61 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.059 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 95' ' ' SER . . . . . 0.489 ' CB ' HD11 ' C' ' 33' ' ' LEU . 0.3 OUTLIER -79.79 -25.17 41.0 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.887 -179.516 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 96' ' ' LEU . . . . . 0.792 HD22 ' CD2' ' D' ' 110' ' ' LEU . 0.2 OUTLIER -41.46 -52.25 3.65 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.011 0.434 . . . . 0.0 111.917 -179.26 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -61.97 -32.54 73.0 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.969 0.414 . . . . 0.0 110.657 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 98' ' ' GLU . . . . . 0.766 ' O ' ' HB3' ' D' ' 101' ' ' ALA . 0.0 OUTLIER -70.76 -37.35 73.38 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 177.935 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 99' ' ' ILE . . . . . 0.646 HD12 HD23 ' D' ' 96' ' ' LEU . 18.8 mt -57.85 -47.93 85.04 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.657 0 CA-C-N 114.464 -1.244 . . . . 0.0 109.685 178.461 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 100' ' ' HIS . . . . . 0.714 ' HB2' HD11 ' D' ' 110' ' ' LEU . 9.5 t-160 -55.96 -41.3 74.51 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-O 122.008 0.909 . . . . 0.0 108.721 178.229 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 101' ' ' ALA . . . . . 0.766 ' HB3' ' O ' ' D' ' 98' ' ' GLU . . . -51.58 -41.11 60.94 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 113.918 -1.492 . . . . 0.0 111.893 179.456 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 102' ' ' LEU . . . . . 0.747 HD13 HD23 ' C' ' 25' ' ' LEU . 0.4 OUTLIER -123.69 35.94 4.74 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 113.183 0.809 . . . . 0.0 113.183 -177.437 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 103' ' ' THR . . . . . 0.638 HG23 HD12 ' D' ' 102' ' ' LEU . 43.3 p -152.99 -37.66 0.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.602 -0.439 . . . . 0.0 111.931 179.502 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 5.3 t0 73.44 30.41 1.49 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.088 0.471 . . . . 0.0 109.899 -178.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 105' ' ' SER . . . . . 0.401 ' O ' ' CB ' ' D' ' 106' ' ' SER . 2.7 m -61.05 -8.62 3.46 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.829 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 106' ' ' SER . . . . . 0.401 ' CB ' ' O ' ' D' ' 105' ' ' SER . 0.3 OUTLIER 78.36 122.79 0.05 OUTLIER 'General case' 0 C--O 1.232 0.176 0 CA-C-O 120.764 0.316 . . . . 0.0 110.604 -179.625 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 107' ' ' GLU . . . . . 0.573 ' HA ' HD12 ' D' ' 110' ' ' LEU . 5.6 mt-10 -55.16 -22.45 17.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.2 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 9.1 mptt -60.98 -55.24 35.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.992 0.425 . . . . 0.0 110.178 179.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 109' ' ' ASP . . . . . 0.766 ' O ' HD12 ' D' ' 113' ' ' LEU . 12.4 m-20 -64.67 -33.36 75.76 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.855 178.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 110' ' ' LEU . . . . . 0.792 ' CD2' HD22 ' D' ' 96' ' ' LEU . 95.8 mt -66.19 -41.53 90.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.328 179.378 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 111' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.77 -42.88 99.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.669 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 112' ' ' PHE . . . . . 0.623 ' O ' HG23 ' D' ' 116' ' ' VAL . 2.0 t80 -62.01 -42.91 99.67 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.759 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 113' ' ' LEU . . . . . 0.766 HD12 ' O ' ' D' ' 109' ' ' ASP . 0.5 OUTLIER -73.0 -38.46 66.61 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.792 -179.87 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 114' ' ' HIS . . . . . 0.734 ' CD2' HD12 ' D' ' 96' ' ' LEU . 35.6 m80 -56.36 -34.62 66.81 Favored 'General case' 0 CA--C 1.519 -0.229 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 178.295 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 115' ' ' SER . . . . . . . . . . . . . 30.6 t -75.35 -38.09 60.29 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 178.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 116' ' ' VAL . . . . . 0.862 ' O ' HD22 ' D' ' 122' ' ' LEU . 42.4 t -57.17 -23.47 18.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.768 178.258 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 117' ' ' PHE . . . . . 0.813 ' CD1' HG13 ' D' ' 89' ' ' VAL . 38.1 m-85 -102.88 -38.81 7.23 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.497 -179.717 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 118' ' ' GLN . . . . . 0.415 ' NE2' ' O ' ' D' ' 114' ' ' HIS . 0.0 OUTLIER -56.34 -29.48 61.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.678 -178.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -44.84 127.5 6.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.708 -179.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 120' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -70.41 -50.52 37.66 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.662 179.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 121' ' ' HIS . . . . . . . . . . . . . 37.3 m-70 -55.61 -33.27 63.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.354 179.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 122' ' ' LEU . . . . . 0.862 HD22 ' O ' ' D' ' 116' ' ' VAL . 21.1 tp -55.32 -50.16 70.31 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.991 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 123' ' ' HIS . . . . . 0.598 ' HA ' ' CD1' ' D' ' 126' ' ' LEU . 30.7 m170 -49.95 -29.22 8.0 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 121.129 0.49 . . . . 0.0 110.143 178.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 124' ' ' THR . . . . . 0.663 HG22 HD11 ' D' ' 128' ' ' LEU . 2.8 m -72.69 -36.67 67.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.772 179.186 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 125' ' ' LEU . . . . . 0.618 HD12 HD12 ' D' ' 122' ' ' LEU . 14.3 mt -63.23 -46.56 86.4 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.089 179.664 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 126' ' ' LEU . . . . . 0.882 ' HB2' ' HB1' ' D' ' 85' ' ' ALA . 1.3 mp -65.48 -41.08 93.69 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.012 -179.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 127' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -63.53 -44.95 92.73 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.267 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 128' ' ' LEU . . . . . 0.663 HD11 HG22 ' D' ' 124' ' ' THR . 7.0 mt -72.18 -40.62 67.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.349 -179.564 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 129' ' ' TYR . . . . . 0.511 ' O ' HD23 ' C' ' 48' ' ' LEU . 0.3 OUTLIER -55.64 -51.52 66.94 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.06 -179.33 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 130' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -75.83 -26.63 57.36 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.117 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 131' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.47 -51.69 61.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.763 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 132' ' ' ILE . . . . . 0.655 ' HB ' HD21 ' C' ' 48' ' ' LEU . 2.6 mt -71.44 -36.73 61.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 CA-C-O 121.068 0.461 . . . . 0.0 110.584 179.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 133' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -61.38 -31.21 71.1 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.977 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 134' ' ' THR . . . . . . . . . . . . . 86.9 m -78.73 -39.76 35.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.956 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 135' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.29 -29.17 68.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.856 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 136' ' ' SER . . . . . . . . . . . . . 42.3 t . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.095 -179.9 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 5.4 mtm-85 . . . . . 0 N--CA 1.455 -0.223 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.3 tptm -63.34 -38.92 93.03 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 179.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 59.0 mm-40 -74.51 -28.37 60.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.072 179.078 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.598 ' HB3' HG22 ' B' ' 116' ' ' VAL . 69.6 m-20 -79.35 -32.45 43.24 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.552 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.651 HG22 ' HE1' ' A' ' 44' ' ' PHE . 0.9 OUTLIER -72.29 -38.46 68.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.342 179.525 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.411 ' HA ' HD23 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -70.77 -45.3 65.01 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.521 179.481 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.441 ' HB3' ' CZ ' ' B' ' 112' ' ' PHE . 0.0 OUTLIER -67.4 -26.12 66.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.006 179.33 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.888 ' CB ' HG11 ' B' ' 116' ' ' VAL . . . -78.75 -54.22 6.31 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.548 178.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.774 HD22 ' HB3' ' A' ' 44' ' ' PHE . 0.3 OUTLIER -64.98 -27.43 68.83 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.548 179.463 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.405 ' CG ' ' O ' ' A' ' 12' ' ' GLN . 13.3 m170 -72.58 -46.92 51.95 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 178.627 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.882 HD22 ' CZ ' ' A' ' 21' ' ' TYR . 1.5 mt -61.16 -37.92 84.61 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.295 178.595 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.937 ' CD2' HG11 ' B' ' 92' ' ' VAL . 36.5 mt -63.06 -43.19 99.28 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 114.859 -1.064 . . . . 0.0 110.681 179.579 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.432 ' CG ' HG21 ' A' ' 41' ' ' ILE . 12.8 mm-40 -60.43 -38.63 84.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.864 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 0.8 OUTLIER -75.12 -37.28 61.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.472 -179.93 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.882 ' CZ ' HD22 ' A' ' 17' ' ' LEU . 17.3 m-85 -67.32 -47.68 69.81 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.404 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.477 ' HG3' ' N ' ' A' ' 23' ' ' SER . 1.5 ptm180 -58.12 -45.09 87.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.307 179.333 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.477 ' N ' ' HG3' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -56.74 -37.28 70.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.467 179.452 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.678 ' HE2' HG22 ' B' ' 103' ' ' THR . 0.0 OUTLIER -104.04 11.47 35.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.568 179.875 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.893 HD12 HD11 ' A' ' 37' ' ' ILE . 0.1 OUTLIER -97.48 -51.15 4.25 Favored 'General case' 0 C--N 1.333 -0.124 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -179.447 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.7 ' HB2' ' HA ' ' A' ' 31' ' ' ARG . 52.9 p -68.42 -31.13 70.24 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -178.231 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.403 ' OE1' ' OG ' ' A' ' 26' ' ' SER . 0.7 OUTLIER -68.52 57.04 0.08 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.882 0.372 . . . . 0.0 111.422 -178.754 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.679 HG23 ' H ' ' A' ' 29' ' ' GLU . 8.6 t -176.57 -61.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.668 179.536 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.679 ' H ' HG23 ' A' ' 28' ' ' THR . 16.4 pt-20 -176.56 28.64 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.814 -179.338 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.416 ' HB2' HD22 ' A' ' 25' ' ' LEU . 13.8 m-20 -137.8 46.08 2.11 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.011 0.434 . . . . 0.0 110.58 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.7 ' HA ' ' HB2' ' A' ' 26' ' ' SER . 0.0 OUTLIER -63.05 -55.24 27.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.181 -179.52 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 44.7 tp60 -53.05 -44.73 67.67 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.407 0.622 . . . . 0.0 109.562 178.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.813 HD21 ' HB3' ' B' ' 95' ' ' SER . 7.7 tp -57.1 -34.66 68.55 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.122 178.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.687 ' HB2' ' HB3' ' A' ' 26' ' ' SER . 2.0 ttt180 -60.36 -43.5 96.45 Favored 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 178.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 28.9 m -55.61 -40.59 72.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.285 -0.871 . . . . 0.0 109.737 178.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.498 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.7 OUTLIER -64.09 -51.3 64.67 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.378 179.144 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.893 HD11 HD12 ' A' ' 25' ' ' LEU . 34.6 mt -58.32 -37.65 64.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.187 0.517 . . . . 0.0 109.657 178.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.75 -52.63 63.46 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.546 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.643 ' HG3' ' HB1' ' B' ' 88' ' ' ALA . 4.2 ptp85 -55.63 -34.59 65.06 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.627 -0.429 . . . . 0.0 109.867 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.71 HG12 ' CD2' ' A' ' 44' ' ' PHE . 59.0 t -67.21 -33.12 60.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 109.603 -0.518 . . . . 0.0 109.603 178.091 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.654 HD11 ' HB3' ' A' ' 18' ' ' LEU . 14.7 mm -65.82 -61.04 1.88 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.15 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.403 179.436 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.9 t -56.48 -47.04 80.07 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-O 120.964 0.411 . . . . 0.0 110.624 -179.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.429 ' O ' ' CG ' ' A' ' 49' ' ' PHE . 15.5 mt -60.0 -33.47 53.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.89 179.137 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.774 ' HB3' HD22 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -72.11 -59.23 2.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.567 179.622 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -77.32 -3.0 37.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.867 -179.031 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.467 ' CB ' ' CE1' ' B' ' 129' ' ' TYR . 0.6 OUTLIER -47.33 137.74 8.06 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.813 0.34 . . . . 0.0 111.364 -179.755 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -58.66 -34.74 71.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.941 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.757 ' O ' HD12 ' A' ' 48' ' ' LEU . 1.9 tp -79.02 -45.83 19.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.834 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.735 ' HE1' HD11 ' A' ' 53' ' ' ILE . 19.5 t80 -51.44 -50.79 59.05 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.828 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -60.25 -34.45 73.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.069 179.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.493 ' HB3' ' O ' ' A' ' 48' ' ' LEU . . . -58.99 -45.68 90.02 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.3 179.312 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.517 HD13 ' O ' ' B' ' 125' ' ' LEU . 1.0 OUTLIER -60.82 -44.06 97.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.269 179.305 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.735 HD11 ' HE1' ' A' ' 49' ' ' PHE . 42.5 mt -54.38 -38.86 41.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.621 179.42 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -69.81 -35.62 74.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.472 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.73 HG22 ' HB2' ' A' ' 59' ' ' TYR . 60.5 mt -59.24 -38.81 76.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.687 179.617 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -53.26 -23.49 9.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.679 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.408 ' O ' ' CD1' ' A' ' 58' ' ' PHE . 14.8 mm-40 -48.87 -33.33 10.45 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.629 -0.259 . . . . 0.0 111.537 -179.49 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.454 ' CE1' ' HB2' ' C' ' 65' ' ' ASP . 11.6 m-85 -154.88 29.86 0.41 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.791 0.329 . . . . 0.0 111.793 -179.737 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.783 ' CE2' HD21 ' D' ' 128' ' ' LEU . 66.5 m-85 -137.5 121.72 18.04 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.433 179.392 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.422 ' HB2' ' HB ' ' C' ' 62' ' ' THR . 0.4 OUTLIER -104.4 94.48 5.36 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.899 -179.909 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.408 ' CG2' HG21 ' B' ' 124' ' ' THR . 0.0 OUTLIER -72.75 97.99 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.972 0.415 . . . . 0.0 110.879 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.409 ' HB ' ' HB2' ' C' ' 60' ' ' GLU . 3.0 m -86.37 113.15 22.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.785 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.427 HD11 ' OH ' ' C' ' 59' ' ' TYR . 0.2 OUTLIER -87.55 125.0 34.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.665 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.66 ' N ' HD23 ' A' ' 64' ' ' LEU . 0.1 OUTLIER -110.92 -17.32 13.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.239 -179.724 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.94 -3.6 45.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.51 -0.313 . . . . 0.0 111.016 179.611 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 . . . . . 0 C--N 1.333 -0.135 0 CA-C-O 120.838 0.352 . . . . 0.0 111.277 -179.999 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.631 0 N-CA-C 109.894 -1.282 . . . . 0.0 109.894 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.822 ' N ' HD23 ' B' ' 82' ' ' LEU . 0.4 OUTLIER -72.82 -25.4 61.12 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 177.628 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . 1.018 HD23 ' H ' ' B' ' 84' ' ' ALA . 0.2 OUTLIER -63.03 -51.92 64.88 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.561 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 1.018 ' H ' HD23 ' B' ' 83' ' ' LEU . . . -77.73 -20.92 52.68 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.538 -0.756 . . . . 0.0 111.497 -179.337 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 85' ' ' ALA . . . . . 0.869 ' HB1' ' HB2' ' B' ' 126' ' ' LEU . . . -52.07 -24.34 6.67 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.283 0.563 . . . . 0.0 109.865 179.255 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -127.11 -38.18 2.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.867 178.514 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 87' ' ' ARG . . . . . 0.76 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 29.8 ttt85 -66.9 -37.76 84.99 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.633 179.394 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . 0.915 ' HB2' ' HB1' ' B' ' 84' ' ' ALA . . . -72.2 -46.11 57.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.716 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 89' ' ' VAL . . . . . 0.599 HG12 ' HB3' ' B' ' 117' ' ' PHE . 26.2 t -69.75 -37.66 74.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.241 179.132 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 90' ' ' SER . . . . . 0.426 ' HA ' ' HB2' ' B' ' 93' ' ' LEU . 73.3 m -73.5 -23.75 60.09 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.421 179.182 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 91' ' ' GLN . . . . . 0.433 ' NE2' ' HG2' ' B' ' 87' ' ' ARG . 5.3 mt-30 -68.71 -54.72 14.45 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-O 121.208 0.528 . . . . 0.0 109.637 179.302 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 92' ' ' VAL . . . . . 0.937 HG11 ' CD2' ' A' ' 18' ' ' LEU . 4.7 t -68.65 -28.03 38.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.318 -0.856 . . . . 0.0 109.977 179.141 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . 0.703 HD21 ' HA ' ' B' ' 114' ' ' HIS . 2.9 mt -66.34 -35.79 81.26 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.893 179.504 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -85.87 -33.03 21.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.881 0.372 . . . . 0.0 111.079 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 95' ' ' SER . . . . . 0.813 ' HB3' HD21 ' A' ' 33' ' ' LEU . 3.2 m -80.04 -21.6 43.31 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.045 -0.525 . . . . 0.0 112.015 -179.582 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . 0.82 HD22 ' CD2' ' B' ' 110' ' ' LEU . 0.2 OUTLIER -41.29 -48.42 3.6 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.028 0.442 . . . . 0.0 111.99 -179.462 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -64.49 -33.55 76.15 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.981 -179.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . 0.81 ' OE2' HD21 ' B' ' 102' ' ' LEU . 0.0 OUTLIER -70.0 -40.14 75.46 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 178.386 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 99' ' ' ILE . . . . . 0.632 HG23 HG21 ' B' ' 103' ' ' THR . 40.3 mt -54.78 -49.55 68.14 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.701 0 CA-C-N 114.772 -1.104 . . . . 0.0 109.939 178.367 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . 0.898 ' HB2' HD11 ' B' ' 110' ' ' LEU . 12.2 t-160 -54.86 -40.95 70.21 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-O 121.982 0.896 . . . . 0.0 108.736 178.426 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . 0.781 ' HB3' ' O ' ' B' ' 98' ' ' GLU . . . -53.49 -39.32 64.46 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 113.81 -1.541 . . . . 0.0 112.105 179.615 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 102' ' ' LEU . . . . . 0.81 HD21 ' OE2' ' B' ' 98' ' ' GLU . 0.4 OUTLIER -126.0 27.6 6.29 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -177.14 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 103' ' ' THR . . . . . 0.692 HG23 HD12 ' B' ' 102' ' ' LEU . 43.0 p -143.71 -26.59 0.55 Allowed 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 179.524 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 20.5 t0 66.71 25.93 9.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.071 0.462 . . . . 0.0 110.252 -179.305 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 105' ' ' SER . . . . . 0.477 ' HB3' ' CE1' ' A' ' 21' ' ' TYR . 53.0 p -56.12 -22.06 26.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.386 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . 0.442 ' CB ' ' O ' ' B' ' 105' ' ' SER . 2.2 t 84.05 130.31 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.428 -179.343 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . 0.645 ' HA ' HD12 ' B' ' 110' ' ' LEU . 3.3 tt0 -58.81 -19.19 38.94 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.43 -179.492 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -65.8 -55.51 16.78 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.965 0.412 . . . . 0.0 110.22 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 109' ' ' ASP . . . . . 0.699 ' O ' HD12 ' B' ' 113' ' ' LEU . 8.2 m-20 -62.93 -35.99 81.92 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.371 -0.604 . . . . 0.0 109.371 178.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 110' ' ' LEU . . . . . 0.898 HD11 ' HB2' ' B' ' 100' ' ' HIS . 93.6 mt -62.29 -50.45 71.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.029 179.191 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -53.8 -40.83 66.66 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.843 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 112' ' ' PHE . . . . . 0.789 ' O ' HG23 ' B' ' 116' ' ' VAL . 1.7 t80 -64.59 -37.43 87.55 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.844 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 113' ' ' LEU . . . . . 0.699 HD12 ' O ' ' B' ' 109' ' ' ASP . 0.5 OUTLIER -79.07 -33.05 44.95 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.744 -0.382 . . . . 0.0 111.222 -179.78 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 114' ' ' HIS . . . . . 0.777 ' CE1' HD12 ' B' ' 96' ' ' LEU . 99.3 m-70 -62.42 -34.19 76.28 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 177.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . 0.422 ' HA ' ' HB2' ' B' ' 118' ' ' GLN . 0.7 OUTLIER -74.6 -40.3 61.66 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.134 178.646 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 116' ' ' VAL . . . . . 0.888 HG11 ' CB ' ' A' ' 14' ' ' ALA . 50.9 t -60.37 -23.33 27.68 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.907 178.424 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 117' ' ' PHE . . . . . 0.691 ' CZ ' HD11 ' A' ' 18' ' ' LEU . 7.5 m-30 -105.59 -20.87 13.33 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.534 -179.687 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 118' ' ' GLN . . . . . 0.425 ' NE2' HD11 ' B' ' 93' ' ' LEU . 0.0 OUTLIER -72.97 -30.69 64.02 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.742 0.306 . . . . 0.0 111.276 -179.655 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -42.93 130.16 4.33 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.794 -179.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -71.15 -48.69 50.43 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.671 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -55.87 -33.85 64.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.37 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . 0.823 HD22 ' O ' ' B' ' 116' ' ' VAL . 39.9 tp -55.67 -49.25 73.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 109.916 179.566 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 123' ' ' HIS . . . . . 0.808 ' HA ' HD12 ' B' ' 126' ' ' LEU . 23.4 m170 -52.11 -27.41 14.04 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.184 179.04 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 124' ' ' THR . . . . . 0.434 HG22 HD11 ' B' ' 128' ' ' LEU . 7.2 m -77.02 -32.67 57.25 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.019 179.291 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . 0.771 HD12 HD12 ' B' ' 122' ' ' LEU . 20.5 mt -65.86 -41.34 91.78 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.991 179.724 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . 0.869 ' HB2' ' HB1' ' B' ' 85' ' ' ALA . 0.4 OUTLIER -73.05 -45.14 59.18 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.265 -179.705 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.03 -46.55 82.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.932 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . 0.881 HD21 ' CD2' ' C' ' 59' ' ' TYR . 21.9 mt -70.83 -43.61 68.19 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.152 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 129' ' ' TYR . . . . . 0.467 ' CE1' ' CB ' ' A' ' 46' ' ' SER . 0.2 OUTLIER -55.72 -51.63 66.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.125 -179.518 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 130' ' ' ASP . . . . . 0.601 ' HB3' HD23 ' B' ' 82' ' ' LEU . 25.2 m-20 -76.11 -21.77 56.28 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.268 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 131' ' ' LYS . . . . . 0.503 ' HG2' HD13 ' B' ' 82' ' ' LEU . 8.0 mmtt -70.51 -46.07 64.4 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.803 0.335 . . . . 0.0 110.859 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 132' ' ' ILE . . . . . 0.565 HD12 ' O ' ' B' ' 128' ' ' LEU . 2.7 mt -74.97 -37.94 42.25 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 CA-C-O 120.99 0.424 . . . . 0.0 110.94 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 133' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -63.77 -28.68 70.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.052 -179.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 134' ' ' THR . . . . . 0.556 HG22 ' O ' ' B' ' 134' ' ' THR . 62.4 m -86.06 5.57 32.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.593 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.4 -40.89 4.77 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.967 0.413 . . . . 0.0 110.923 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.904 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 7' ' ' ARG . . . . . 0.46 ' HG3' HG23 ' C' ' 11' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 110.364 -0.236 . . . . 0.0 110.364 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 4.3 mmpt? -65.66 -32.6 74.26 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 121.047 0.451 . . . . 0.0 109.934 179.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 51.8 mm-40 -78.22 -30.81 49.03 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.746 178.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 10' ' ' ASP . . . . . 0.753 ' HB3' HG22 ' D' ' 116' ' ' VAL . 2.9 m-20 -81.29 -29.9 34.15 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.612 179.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 11' ' ' THR . . . . . 0.649 HG22 ' HE1' ' C' ' 44' ' ' PHE . 5.9 p -76.82 -37.23 56.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.248 179.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 12' ' ' GLN . . . . . 0.424 ' O ' ' CG ' ' C' ' 16' ' ' HIS . 0.8 OUTLIER -73.09 -41.92 63.56 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.189 179.399 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 16.0 ttt180 -72.21 -24.95 61.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.937 178.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 14' ' ' ALA . . . . . 0.821 ' CB ' HG11 ' D' ' 116' ' ' VAL . . . -78.65 -53.73 6.85 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.7 178.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 15' ' ' LEU . . . . . 0.795 HD22 ' HB3' ' C' ' 44' ' ' PHE . 0.4 OUTLIER -66.72 -24.64 66.26 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.654 179.551 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 16' ' ' HIS . . . . . 0.424 ' CG ' ' O ' ' C' ' 12' ' ' GLN . 15.2 m170 -73.33 -46.87 46.84 Favored 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 178.48 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . 0.953 HD22 ' CE1' ' C' ' 21' ' ' TYR . 1.4 mt -62.14 -37.58 85.69 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.176 178.45 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . 0.735 ' CB ' HD11 ' C' ' 41' ' ' ILE . 43.0 mt -61.38 -40.65 95.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.831 -1.077 . . . . 0.0 110.567 179.537 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -62.3 -47.74 82.96 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.635 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -70.67 -31.17 67.98 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.878 179.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 21' ' ' TYR . . . . . 0.953 ' CE1' HD22 ' C' ' 17' ' ' LEU . 5.8 m-30 -67.76 -46.74 71.2 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.5 179.595 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 22' ' ' ARG . . . . . 0.421 ' HG3' ' N ' ' C' ' 23' ' ' SER . 0.2 OUTLIER -62.21 -38.97 91.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.877 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 23' ' ' SER . . . . . 0.421 ' N ' ' HG3' ' C' ' 22' ' ' ARG . 0.3 OUTLIER -63.82 -38.55 91.53 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.781 179.932 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 24' ' ' LYS . . . . . . . . . . . . . 6.2 ptmt -90.39 -18.79 24.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.445 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 25' ' ' LEU . . . . . 0.911 HD12 HD11 ' C' ' 37' ' ' ILE . 0.2 OUTLIER -73.0 -65.26 0.82 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.087 0.47 . . . . 0.0 110.834 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . 0.508 ' HB3' ' HB2' ' C' ' 34' ' ' ARG . 4.0 p -60.85 -149.44 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.055 -179.665 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 27' ' ' GLN . . . . . 0.413 ' OE1' ' NH1' ' C' ' 31' ' ' ARG . 0.0 OUTLIER 47.7 27.86 1.15 Allowed 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.552 -0.294 . . . . 0.0 111.152 179.846 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 28' ' ' THR . . . . . 0.53 HG23 ' N ' ' C' ' 29' ' ' GLU . 6.4 t -150.8 -55.86 0.16 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.656 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 29' ' ' GLU . . . . . 0.53 ' N ' HG23 ' C' ' 28' ' ' THR . 13.2 pt-20 -177.59 26.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.648 -179.61 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -145.78 54.24 1.17 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.13 0.49 . . . . 0.0 110.854 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . 0.413 ' NH1' ' OE1' ' C' ' 27' ' ' GLN . 11.7 mmm180 -64.56 -46.47 82.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.135 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -58.34 -49.06 78.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.948 179.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 33' ' ' LEU . . . . . 0.78 HD21 ' HB3' ' D' ' 95' ' ' SER . 13.4 tp -54.01 -35.87 62.37 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.138 179.102 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 34' ' ' ARG . . . . . 0.508 ' HB2' ' HB3' ' C' ' 26' ' ' SER . 5.0 ttp180 -60.5 -42.29 96.05 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.284 178.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 29.7 t -60.83 -33.48 73.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.238 179.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 36' ' ' SER . . . . . 0.581 ' O ' HG23 ' C' ' 40' ' ' VAL . 67.5 m -68.27 -51.51 44.19 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 121.197 0.523 . . . . 0.0 110.329 179.439 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 37' ' ' ILE . . . . . 0.911 HD11 HD12 ' C' ' 25' ' ' LEU . 36.5 mt -58.81 -40.16 79.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.826 -0.624 . . . . 0.0 109.713 179.003 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.03 -52.06 65.48 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.982 -1.008 . . . . 0.0 112.031 -179.7 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 39' ' ' ARG . . . . . 0.64 ' HG3' ' HB1' ' D' ' 88' ' ' ALA . 6.5 ptp180 -57.25 -33.76 67.92 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.483 -0.487 . . . . 0.0 110.263 -179.627 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . 0.762 HG12 ' CD2' ' C' ' 44' ' ' PHE . 64.6 t -67.24 -34.95 72.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 178.282 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 41' ' ' ILE . . . . . 0.735 HD11 ' CB ' ' C' ' 18' ' ' LEU . 20.1 mm -61.37 -58.9 5.46 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.108 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.289 179.474 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 11.5 t -56.17 -47.89 77.42 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-O 120.978 0.418 . . . . 0.0 110.684 -179.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 43' ' ' ILE . . . . . 0.407 ' O ' ' CG ' ' C' ' 49' ' ' PHE . 21.4 mt -59.7 -32.65 49.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.84 178.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 44' ' ' PHE . . . . . 0.795 ' HB3' HD22 ' C' ' 15' ' ' LEU . 0.4 OUTLIER -72.46 -59.52 2.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.947 179.813 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 45' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -79.45 0.2 30.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.995 -178.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 46' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.06 168.66 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.823 0.345 . . . . 0.0 111.21 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -79.56 -47.92 14.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.177 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . 0.851 HD12 ' HA ' ' D' ' 129' ' ' TYR . 0.4 OUTLIER -66.91 -42.66 85.04 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.536 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 49' ' ' PHE . . . . . 0.501 ' CE2' HD11 ' C' ' 53' ' ' ILE . 8.9 t80 -50.81 -56.16 13.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.352 -179.442 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -54.19 -39.8 66.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.826 0.346 . . . . 0.0 110.718 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 51' ' ' ALA . . . . . 0.544 ' HB1' HG23 ' B' ' 132' ' ' ILE . . . -59.45 -47.33 85.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.886 179.7 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 52' ' ' LEU . . . . . 0.7 HD12 HD12 ' C' ' 48' ' ' LEU . 0.6 OUTLIER -62.6 -47.91 81.73 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.556 179.699 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 53' ' ' ILE . . . . . 0.76 HG12 HD13 ' D' ' 125' ' ' LEU . 18.8 mt -54.51 -31.27 22.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.448 179.605 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.86 -41.23 68.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.217 179.299 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 55' ' ' ILE . . . . . 0.76 HG22 ' HB2' ' C' ' 59' ' ' TYR . 63.7 mt -61.39 -35.2 64.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.629 179.479 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.62 -21.61 4.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.533 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 57' ' ' GLU . . . . . 0.407 ' O ' ' CD2' ' C' ' 58' ' ' PHE . 12.7 pt-20 -43.89 -41.16 5.01 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-O 120.799 0.333 . . . . 0.0 111.531 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 58' ' ' PHE . . . . . 0.407 ' CD2' ' O ' ' C' ' 57' ' ' GLU . 89.2 m-85 -157.51 39.2 0.29 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.429 -179.76 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 59' ' ' TYR . . . . . 0.881 ' CD2' HD21 ' B' ' 128' ' ' LEU . 55.2 m-85 -136.84 81.91 1.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.572 179.533 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 60' ' ' GLU . . . . . 0.409 ' HB2' ' HB ' ' A' ' 62' ' ' THR . 0.0 OUTLIER -69.54 90.28 0.54 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.202 -179.677 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 61' ' ' VAL . . . . . 0.549 HG23 HG21 ' D' ' 124' ' ' THR . 0.0 OUTLIER -73.0 102.56 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.979 0.419 . . . . 0.0 110.596 179.458 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 62' ' ' THR . . . . . 0.422 ' HB ' ' HB2' ' A' ' 60' ' ' GLU . 1.2 m -90.8 115.01 27.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.167 -179.518 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 63' ' ' LEU . . . . . 0.66 HD11 ' ND2' ' C' ' 66' ' ' ASN . 0.5 OUTLIER -83.16 139.79 32.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.144 179.121 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 64' ' ' LEU . . . . . 0.745 HD23 ' N ' ' C' ' 64' ' ' LEU . 0.1 OUTLIER -120.1 -40.73 2.69 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 -179.285 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 65' ' ' ASP . . . . . 0.454 ' HB2' ' CE1' ' A' ' 58' ' ' PHE . 0.3 OUTLIER -161.28 21.04 0.12 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.295 0.479 . . . . 0.0 112.295 -179.268 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 66' ' ' ASN . . . . . 0.66 ' ND2' HD11 ' C' ' 63' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.575 0 CA-C-O 120.745 0.307 . . . . 0.0 110.605 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 81' ' ' GLY . . . . . 0.819 ' O ' ' HB2' ' D' ' 85' ' ' ALA . . . . . . . . 0 N--CA 1.449 -0.447 0 N-CA-C 111.887 -0.485 . . . . 0.0 111.887 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 82' ' ' LEU . . . . . 0.54 HD12 ' HB3' ' D' ' 130' ' ' ASP . 4.9 mp -94.33 -19.27 20.81 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.787 0.327 . . . . 0.0 110.704 179.619 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 83' ' ' LEU . . . . . 0.87 HD23 ' H ' ' D' ' 84' ' ' ALA . 0.3 OUTLIER -76.0 -41.5 51.0 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.271 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 84' ' ' ALA . . . . . 0.967 ' HB1' ' HB2' ' D' ' 88' ' ' ALA . . . -96.5 -16.34 21.18 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.743 -178.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 85' ' ' ALA . . . . . 0.868 ' HB1' ' CB ' ' D' ' 126' ' ' LEU . . . -51.08 -28.14 9.81 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.104 0.478 . . . . 0.0 110.104 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 86' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -121.62 -40.35 2.56 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.573 178.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 87' ' ' ARG . . . . . 0.796 ' HB3' ' O ' ' D' ' 83' ' ' LEU . 32.1 ttt180 -59.55 -54.36 47.43 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.129 178.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 88' ' ' ALA . . . . . 0.967 ' HB2' ' HB1' ' D' ' 84' ' ' ALA . . . -56.92 -44.49 82.48 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.749 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 89' ' ' VAL . . . . . 0.528 HG12 ' HB3' ' D' ' 117' ' ' PHE . 41.4 t -68.79 -33.26 58.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.796 178.654 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 90' ' ' SER . . . . . 0.447 ' HA ' ' HB2' ' D' ' 93' ' ' LEU . 19.2 t -76.19 -26.17 55.91 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.644 179.343 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 91' ' ' GLN . . . . . 0.544 ' NE2' ' HA ' ' D' ' 88' ' ' ALA . 20.6 mt-30 -66.37 -56.99 8.43 Favored 'General case' 0 CA--C 1.515 -0.383 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.241 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 92' ' ' VAL . . . . . 0.732 HG11 ' CD2' ' C' ' 18' ' ' LEU . 4.5 t -65.18 -28.05 43.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.044 179.106 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 93' ' ' LEU . . . . . 0.703 HD21 ' HA ' ' D' ' 114' ' ' HIS . 4.1 mt -68.81 -31.84 71.12 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.399 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.51 -43.55 13.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.887 0.375 . . . . 0.0 111.051 -179.414 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 95' ' ' SER . . . . . 0.78 ' HB3' HD21 ' C' ' 33' ' ' LEU . 0.5 OUTLIER -79.47 -12.34 59.88 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.778 -179.662 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 96' ' ' LEU . . . . . 0.738 HD13 ' HB3' ' D' ' 110' ' ' LEU . 0.1 OUTLIER -38.33 -51.83 1.52 Allowed 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.977 0.418 . . . . 0.0 112.05 -179.636 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -69.76 -29.82 67.25 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.174 -179.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 98' ' ' GLU . . . . . 0.825 ' O ' ' HB3' ' D' ' 101' ' ' ALA . 0.1 OUTLIER -69.72 -34.14 73.47 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 177.927 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 99' ' ' ILE . . . . . 0.511 ' O ' ' OG1' ' D' ' 103' ' ' THR . 42.1 mt -61.9 -49.91 82.28 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.888 0 CA-C-N 114.464 -1.244 . . . . 0.0 109.888 178.61 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 100' ' ' HIS . . . . . 0.899 ' HB2' HD11 ' D' ' 110' ' ' LEU . 1.7 t-160 -56.24 -34.72 66.62 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 178.138 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 101' ' ' ALA . . . . . 0.825 ' HB3' ' O ' ' D' ' 98' ' ' GLU . . . -54.74 -44.3 73.44 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 114.585 -1.188 . . . . 0.0 111.359 179.138 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 102' ' ' LEU . . . . . 0.754 HD21 ' OE2' ' D' ' 98' ' ' GLU . 0.4 OUTLIER -118.38 25.07 10.54 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.801 -177.7 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 103' ' ' THR . . . . . 0.663 HG23 HD12 ' D' ' 102' ' ' LEU . 53.5 p -144.75 -3.49 0.79 Allowed 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 2.1 t70 57.57 20.18 5.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.911 0.386 . . . . 0.0 110.847 -179.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 105' ' ' SER . . . . . 0.473 ' HB2' ' CZ ' ' C' ' 21' ' ' TYR . 11.4 p -80.35 72.93 7.23 Favored 'General case' 0 CA--C 1.512 -0.494 0 CA-C-O 121.68 0.752 . . . . 0.0 109.979 179.228 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 106' ' ' SER . . . . . 0.431 ' C ' ' O ' ' D' ' 105' ' ' SER . 11.3 t -20.45 134.77 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 113.761 -1.563 . . . . 0.0 112.67 -179.416 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 107' ' ' GLU . . . . . 0.496 ' HA ' HD12 ' D' ' 110' ' ' LEU . 39.9 tt0 -50.78 -25.51 4.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.914 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.12 -55.0 36.08 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 121.13 0.49 . . . . 0.0 110.034 179.418 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 109' ' ' ASP . . . . . 0.574 ' O ' HD12 ' D' ' 113' ' ' LEU . 54.4 m-20 -63.26 -41.29 99.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.645 178.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 110' ' ' LEU . . . . . 0.899 HD11 ' HB2' ' D' ' 100' ' ' HIS . 91.7 mt -60.53 -32.97 71.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.189 179.033 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 111' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -66.43 -47.14 74.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.811 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 112' ' ' PHE . . . . . 0.456 ' O ' HG23 ' D' ' 116' ' ' VAL . 1.1 t80 -58.79 -38.33 78.31 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.528 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 113' ' ' LEU . . . . . 0.698 HD11 ' CD1' ' C' ' 17' ' ' LEU . 0.5 OUTLIER -76.51 -29.07 56.63 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.041 -179.773 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 114' ' ' HIS . . . . . 0.703 ' HA ' HD21 ' D' ' 93' ' ' LEU . 0.0 OUTLIER -64.45 -34.4 78.1 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.498 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 115' ' ' SER . . . . . 0.42 ' N ' ' CD2' ' D' ' 114' ' ' HIS . 7.7 t -74.95 -37.65 61.91 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 178.447 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 116' ' ' VAL . . . . . 0.839 ' O ' HD22 ' D' ' 122' ' ' LEU . 27.2 t -62.79 -23.64 33.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.764 178.292 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 117' ' ' PHE . . . . . 0.635 ' CZ ' HD11 ' C' ' 18' ' ' LEU . 11.7 m-30 -103.55 -24.54 13.41 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.398 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 118' ' ' GLN . . . . . 0.405 ' OE1' ' CD2' ' D' ' 114' ' ' HIS . 0.0 OUTLIER -71.59 -29.97 65.3 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.819 0.342 . . . . 0.0 111.336 -179.638 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -44.21 119.82 1.94 Allowed 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.593 -179.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 120' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.05 -45.25 93.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.682 179.697 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 121' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -56.47 -34.28 66.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.701 179.633 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 122' ' ' LEU . . . . . 0.839 HD22 ' O ' ' D' ' 116' ' ' VAL . 55.4 tp -55.76 -49.12 73.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.398 179.736 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 123' ' ' HIS . . . . . 0.958 ' HA ' HD12 ' D' ' 126' ' ' LEU . 0.0 OUTLIER -52.54 -26.57 13.55 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.13 0.49 . . . . 0.0 109.916 179.007 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 124' ' ' THR . . . . . 0.624 HG22 HD11 ' D' ' 128' ' ' LEU . 3.2 m -77.44 -34.4 54.53 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.978 179.181 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 125' ' ' LEU . . . . . 0.76 HD13 HG12 ' C' ' 53' ' ' ILE . 13.9 mt -67.46 -37.34 82.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.661 179.688 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 126' ' ' LEU . . . . . 0.958 HD12 ' HA ' ' D' ' 123' ' ' HIS . 0.4 OUTLIER -73.03 -46.71 50.34 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.109 -179.853 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 127' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -57.44 -53.11 61.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.018 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 128' ' ' LEU . . . . . 0.783 HD21 ' CE2' ' A' ' 59' ' ' TYR . 7.3 mt -68.86 -29.14 67.39 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.501 179.607 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 129' ' ' TYR . . . . . 0.851 ' HA ' HD12 ' C' ' 48' ' ' LEU . 1.1 t80 -55.3 -53.1 60.38 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.42 -179.168 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 130' ' ' ASP . . . . . 0.54 ' HB3' HD12 ' D' ' 82' ' ' LEU . 3.5 t70 -77.73 -32.24 52.69 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.209 179.635 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 131' ' ' LYS . . . . . 0.407 ' HB2' ' HA ' ' D' ' 128' ' ' LEU . 9.6 mmtp -54.54 -52.95 60.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.27 -179.527 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 132' ' ' ILE . . . . . 0.444 ' HB ' HD21 ' C' ' 48' ' ' LEU . 4.0 mt -77.6 -38.36 25.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.903 0.382 . . . . 0.0 110.85 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 133' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 -66.45 -25.85 66.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.277 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 134' ' ' THR . . . . . . . . . . . . . 85.2 m -95.0 -30.12 14.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.352 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 135' ' ' LYS . . . . . 0.401 ' HD3' ' CB ' ' A' ' 51' ' ' ALA . 1.4 mttp -59.99 -62.58 1.77 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.056 0.455 . . . . 0.0 111.19 -179.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 136' ' ' SER . . . . . . . . . . . . . 3.6 m . . . . . 0 C--N 1.326 -0.428 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.146 -179.867 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.6 mtm-85 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.14 -38.31 90.6 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 121.079 0.466 . . . . 0.0 109.749 179.157 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 54.4 mm-40 -77.52 -29.59 52.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.079 179.124 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.784 ' HB3' HG22 ' B' ' 116' ' ' VAL . 1.1 m-20 -78.77 -29.43 45.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.989 179.373 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.636 HG23 ' CE2' ' A' ' 44' ' ' PHE . 52.3 m -73.16 -49.23 29.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.408 179.673 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.573 ' HA ' HD23 ' A' ' 15' ' ' LEU . 0.8 OUTLIER -69.72 -33.51 72.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.89 0.376 . . . . 0.0 110.143 179.544 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.94 -24.22 55.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.957 178.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.821 ' CB ' HG11 ' B' ' 116' ' ' VAL . . . -78.43 -54.9 5.68 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.554 178.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.851 HD22 ' HB3' ' A' ' 44' ' ' PHE . 0.3 OUTLIER -62.95 -26.37 68.79 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.749 179.352 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 9.3 m170 -73.33 -44.94 57.93 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 178.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.827 HD22 ' CZ ' ' A' ' 21' ' ' TYR . 2.8 mt -62.59 -38.45 90.18 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.738 178.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.637 ' HB3' HG23 ' A' ' 37' ' ' ILE . 12.5 mt -63.58 -40.27 96.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.627 179.532 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -60.61 -44.66 96.05 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.15 0.5 . . . . 0.0 110.635 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -69.11 -29.49 67.57 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.801 179.35 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.827 ' CZ ' HD22 ' A' ' 17' ' ' LEU . 21.6 m-30 -72.04 -48.6 43.24 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.595 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.6 ptt85 -55.58 -39.46 70.73 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.855 0.359 . . . . 0.0 110.178 179.33 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.64 -46.34 90.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.576 179.221 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.714 ' O ' HG22 ' B' ' 103' ' ' THR . 10.3 ptmt -98.92 16.19 23.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.91 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.914 HD12 HD11 ' A' ' 37' ' ' ILE . 0.0 OUTLIER -111.3 -66.26 1.1 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.736 0.303 . . . . 0.0 111.334 -179.385 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.519 ' HB2' ' HB2' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -63.88 -14.92 57.3 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.156 -0.474 . . . . 0.0 112.226 -178.735 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.425 ' OE1' ' NH1' ' A' ' 31' ' ' ARG . 0.2 OUTLIER -76.14 57.28 1.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.858 0.361 . . . . 0.0 110.918 -179.735 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.617 HG22 ' O ' ' A' ' 25' ' ' LEU . 9.0 t -176.38 -58.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.835 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.616 ' N ' HG23 ' A' ' 28' ' ' THR . 12.0 pt-20 -170.76 28.78 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.07 -0.513 . . . . 0.0 112.202 -178.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.415 ' CB ' HD22 ' A' ' 25' ' ' LEU . 0.5 OUTLIER -137.45 43.76 2.29 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.853 0.359 . . . . 0.0 111.459 -179.878 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.459 ' HA ' ' HB2' ' A' ' 26' ' ' SER . 18.0 mmm180 -55.54 -49.41 72.74 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-O 121.179 0.514 . . . . 0.0 110.311 179.49 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -56.0 -46.65 78.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.841 179.076 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.716 HD21 ' HB2' ' B' ' 95' ' ' SER . 4.1 tp -54.65 -32.15 58.62 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.852 178.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.519 ' HB2' ' HB2' ' A' ' 26' ' ' SER . 0.2 OUTLIER -60.66 -48.11 83.24 Favored 'General case' 0 CA--C 1.513 -0.451 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 178.529 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.34 -36.37 63.74 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.867 179.032 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.474 ' O ' ' HB2' ' A' ' 39' ' ' ARG . 1.4 m -67.31 -51.24 54.93 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.234 0.54 . . . . 0.0 109.901 178.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.914 HD11 HD12 ' A' ' 25' ' ' LEU . 56.6 mt -56.09 -40.97 67.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.938 -0.573 . . . . 0.0 109.621 178.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -59.11 -39.99 83.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.507 179.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.477 ' HB3' ' CB ' ' B' ' 88' ' ' ALA . 6.9 mtt180 -55.56 -53.56 54.91 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 121.322 0.582 . . . . 0.0 109.871 179.181 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.475 ' O ' ' CD1' ' A' ' 44' ' ' PHE . 42.1 t -59.89 -32.36 49.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.895 -179.765 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.906 HG22 ' NE2' ' A' ' 45' ' ' GLN . 4.3 mm -71.02 -49.88 46.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 C-N-CA 120.897 -0.321 . . . . 0.0 111.135 179.563 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.6 p -65.35 -48.26 73.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.839 0.352 . . . . 0.0 110.953 -179.269 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.834 HG23 ' CE2' ' B' ' 129' ' ' TYR . 5.4 mt -59.89 -34.55 56.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.335 179.445 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.851 ' HB3' HD22 ' A' ' 15' ' ' LEU . 3.9 m-85 -72.23 -54.04 10.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.676 178.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.906 ' NE2' HG22 ' A' ' 41' ' ' ILE . 39.2 mt-30 -56.55 -46.22 80.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.773 -179.292 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.477 ' CB ' ' CE1' ' B' ' 129' ' ' TYR . 0.1 OUTLIER -27.91 113.71 0.07 Allowed 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.856 -179.317 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -47.84 -27.28 2.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.932 -179.319 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.688 ' O ' HD12 ' A' ' 48' ' ' LEU . 1.8 tp -72.12 -48.25 45.1 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 120.678 -0.409 . . . . 0.0 109.907 179.603 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.497 ' CE1' HD23 ' B' ' 126' ' ' LEU . 52.6 t80 -52.02 -40.26 60.78 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.98 179.158 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.41 ' OE1' ' N ' ' A' ' 50' ' ' GLN . 4.7 mp0 -63.85 -41.06 97.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.033 178.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.48 ' HB2' ' HG2' ' D' ' 135' ' ' LYS . . . -58.68 -48.04 82.45 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.797 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.504 HD21 ' HB3' ' B' ' 128' ' ' LEU . 0.8 OUTLIER -57.55 -45.21 85.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.949 0.404 . . . . 0.0 110.36 179.528 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.766 HG12 HD13 ' B' ' 125' ' ' LEU . 77.1 mt -55.35 -38.05 46.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.396 179.227 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -73.95 -38.0 64.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.709 179.23 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.663 HG22 ' HB2' ' A' ' 59' ' ' TYR . 64.7 mt -62.07 -46.15 97.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.214 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -51.1 -22.32 2.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.627 -179.571 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -46.7 -35.66 6.31 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.74 0.305 . . . . 0.0 111.145 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.414 ' CG ' ' HB2' ' C' ' 65' ' ' ASP . 59.6 m-85 -151.7 27.79 0.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.239 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.912 ' CD2' HD21 ' D' ' 128' ' ' LEU . 54.1 m-85 -134.51 71.79 1.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.474 179.767 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.423 ' HB2' ' HB ' ' C' ' 62' ' ' THR . 2.2 mt-10 -58.97 94.71 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.783 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.559 HG23 HG21 ' B' ' 124' ' ' THR . 0.0 OUTLIER -72.59 103.66 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.009 0.433 . . . . 0.0 110.957 -179.92 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.477 ' HB ' ' HB2' ' C' ' 60' ' ' GLU . 1.9 m -85.25 112.92 21.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.652 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.647 HD22 ' HB3' ' A' ' 66' ' ' ASN . 0.2 OUTLIER -88.34 132.21 34.51 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.785 -179.844 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.695 ' N ' HD23 ' A' ' 64' ' ' LEU . 0.1 OUTLIER -113.51 -27.74 7.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.004 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.451 ' HB2' ' CG ' ' C' ' 58' ' ' PHE . 46.3 t0 -83.42 0.57 45.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.351 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.647 ' HB3' HD22 ' A' ' 63' ' ' LEU . 13.2 p-10 . . . . . 0 C--N 1.331 -0.206 0 CA-C-O 120.644 0.259 . . . . 0.0 111.343 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.509 -0.337 0 N-CA-C 110.381 -1.088 . . . . 0.0 110.381 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.796 HD23 ' O ' ' B' ' 82' ' ' LEU . 8.8 tt -98.66 -21.19 16.56 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 114.511 -0.844 . . . . 0.0 110.111 179.189 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . 0.988 HD23 ' H ' ' B' ' 84' ' ' ALA . 0.5 OUTLIER -75.18 -39.72 59.98 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.093 -0.958 . . . . 0.0 111.385 -179.352 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.988 ' H ' HD23 ' B' ' 83' ' ' LEU . . . -65.4 -26.18 67.88 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.064 -178.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 85' ' ' ALA . . . . . 1.02 ' HB1' ' HB3' ' B' ' 126' ' ' LEU . . . -53.35 -25.16 14.2 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.055 0.455 . . . . 0.0 110.262 179.231 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -124.67 -45.22 1.92 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.785 178.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 87' ' ' ARG . . . . . 0.6 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 8.8 ttt180 -58.5 -46.73 86.1 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.314 179.014 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . 0.782 ' HB3' ' O ' ' B' ' 84' ' ' ALA . . . -65.06 -41.19 95.37 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.906 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 89' ' ' VAL . . . . . 0.759 HG13 ' CD1' ' B' ' 117' ' ' PHE . 46.2 t -68.62 -36.65 75.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.649 179.44 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 11.5 t -76.04 -41.06 51.99 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.515 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 91' ' ' GLN . . . . . 0.48 ' NE2' ' HA ' ' B' ' 88' ' ' ALA . 7.7 pt20 -66.67 -49.24 66.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.186 0.517 . . . . 0.0 109.676 179.779 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 92' ' ' VAL . . . . . 0.698 HG23 ' O ' ' B' ' 88' ' ' ALA . 46.8 t -64.89 -28.03 43.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.31 177.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . 0.734 HD21 ' HA ' ' B' ' 114' ' ' HIS . 1.7 mt -60.94 -45.99 92.48 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.353 179.543 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -76.12 -25.68 55.61 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.957 -179.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 95' ' ' SER . . . . . 0.716 ' HB2' HD21 ' A' ' 33' ' ' LEU . 9.7 p -79.02 -27.51 43.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.642 -179.714 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . 0.919 HD22 HD22 ' B' ' 110' ' ' LEU . 0.2 OUTLIER -37.43 -52.3 1.13 Allowed 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 112.589 0.588 . . . . 0.0 112.589 -179.332 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -69.46 -29.53 67.24 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.152 -179.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . 0.796 ' O ' ' HB3' ' B' ' 101' ' ' ALA . 0.1 OUTLIER -69.64 -34.69 74.39 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 177.898 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 99' ' ' ILE . . . . . 0.462 ' HB ' ' O ' ' B' ' 96' ' ' LEU . 39.6 mt -61.99 -49.23 84.99 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.819 0 CA-C-N 114.471 -1.241 . . . . 0.0 109.852 178.444 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . 0.867 ' HB2' HD11 ' B' ' 110' ' ' LEU . 1.7 t-160 -56.46 -33.9 66.35 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 178.084 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . 0.796 ' HB3' ' O ' ' B' ' 98' ' ' GLU . . . -56.56 -45.32 81.31 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.494 -1.23 . . . . 0.0 111.993 179.408 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 102' ' ' LEU . . . . . 0.778 HD21 ' OE2' ' B' ' 98' ' ' GLU . 0.4 OUTLIER -117.32 30.22 7.43 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 -177.257 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 103' ' ' THR . . . . . 0.714 HG22 ' O ' ' A' ' 24' ' ' LYS . 40.8 p -146.87 -32.58 0.31 Allowed 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.994 -0.283 . . . . 0.0 111.529 179.568 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 69.42 27.44 4.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.066 0.46 . . . . 0.0 110.486 -179.558 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 105' ' ' SER . . . . . 0.416 ' HB3' ' CE1' ' A' ' 21' ' ' TYR . 27.4 m -51.4 -76.98 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.835 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 168.28 104.8 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.509 179.757 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 66.5 tt0 -48.08 -32.87 7.34 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.929 0.395 . . . . 0.0 110.638 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.46 -47.19 73.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.796 179.071 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 109' ' ' ASP . . . . . 0.665 ' O ' HD12 ' B' ' 113' ' ' LEU . 4.0 m-20 -63.98 -36.62 84.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.85 179.039 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 110' ' ' LEU . . . . . 0.919 HD22 HD22 ' B' ' 96' ' ' LEU . 17.1 mt -59.8 -44.93 93.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.07 179.091 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -60.79 -41.79 96.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.661 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 112' ' ' PHE . . . . . 0.501 ' O ' HG23 ' B' ' 116' ' ' VAL . 0.2 OUTLIER -58.66 -39.83 81.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.575 179.728 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 113' ' ' LEU . . . . . 0.673 HD23 ' HB1' ' A' ' 14' ' ' ALA . 0.5 OUTLIER -74.58 -31.78 62.17 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.977 -179.894 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 114' ' ' HIS . . . . . 0.734 ' HA ' HD21 ' B' ' 93' ' ' LEU . 0.0 OUTLIER -61.38 -34.74 75.84 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 178.585 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . 0.462 ' N ' ' CD2' ' B' ' 114' ' ' HIS . 0.6 OUTLIER -75.12 -37.44 61.43 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 178.48 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 116' ' ' VAL . . . . . 0.821 HG11 ' CB ' ' A' ' 14' ' ' ALA . 38.7 t -62.47 -23.83 33.47 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.027 178.564 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 117' ' ' PHE . . . . . 0.759 ' CD1' HG13 ' B' ' 89' ' ' VAL . 25.0 m-85 -102.95 -29.09 11.63 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.22 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.86 -31.17 71.97 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.832 0.349 . . . . 0.0 111.113 -179.539 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -45.75 121.46 3.14 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.456 -179.596 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 5.2 tp60 -66.29 -43.46 86.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.849 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 121' ' ' HIS . . . . . 0.401 ' O ' ' HG ' ' B' ' 125' ' ' LEU . 0.3 OUTLIER -55.74 -33.87 64.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.804 179.721 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . 0.885 HD12 HD12 ' B' ' 125' ' ' LEU . 33.2 tp -55.82 -47.43 77.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.613 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 123' ' ' HIS . . . . . 0.889 ' HA ' HD12 ' B' ' 126' ' ' LEU . 0.0 OUTLIER -55.98 -25.75 45.33 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 179.18 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 124' ' ' THR . . . . . 0.559 HG21 HG23 ' A' ' 61' ' ' VAL . 1.3 m -74.39 -37.51 63.38 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 178.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . 0.885 HD12 HD12 ' B' ' 122' ' ' LEU . 3.4 mt -73.14 -32.45 64.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.364 178.12 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . 1.02 ' HB3' ' HB1' ' B' ' 85' ' ' ALA . 8.7 mt -73.27 -50.43 22.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.071 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -66.17 -39.04 89.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.996 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . 0.929 HD21 ' CD2' ' C' ' 59' ' ' TYR . 84.4 mt -72.73 -34.07 66.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.497 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 129' ' ' TYR . . . . . 0.834 ' CE2' HG23 ' A' ' 43' ' ' ILE . 0.3 OUTLIER -60.41 -51.98 67.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.734 -179.636 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 130' ' ' ASP . . . . . 0.715 ' OD2' ' HB2' ' B' ' 85' ' ' ALA . 35.9 m-20 -76.42 -27.49 56.28 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.331 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 18.1 mttp -59.58 -51.89 67.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.757 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 132' ' ' ILE . . . . . 0.828 ' CG1' HD11 ' C' ' 55' ' ' ILE . 3.0 mt -73.46 -38.39 52.77 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.527 179.651 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 133' ' ' ASN . . . . . 0.445 ' HB2' HD23 ' A' ' 48' ' ' LEU . 57.2 t30 -59.52 -30.12 68.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.774 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 90.6 m -81.4 -31.69 33.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -79.31 -34.01 42.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 7' ' ' ARG . . . . . 0.611 ' O ' HG23 ' C' ' 11' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.219 0 N-CA-C 110.511 -0.181 . . . . 0.0 110.511 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 8' ' ' LYS . . . . . 0.56 ' HG2' HG21 ' C' ' 53' ' ' ILE . 12.7 mtmt -67.68 -31.89 72.18 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.031 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 58.0 mm-40 -80.65 -32.02 36.27 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.188 179.242 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 10' ' ' ASP . . . . . 0.808 ' OD2' HG22 ' D' ' 116' ' ' VAL . 0.0 OUTLIER -81.55 -30.06 33.25 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.955 0.407 . . . . 0.0 110.21 179.702 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 11' ' ' THR . . . . . 0.611 HG23 ' O ' ' C' ' 7' ' ' ARG . 21.6 p -73.04 -42.3 63.27 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.808 179.169 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 12' ' ' GLN . . . . . 0.526 ' O ' ' HB2' ' C' ' 16' ' ' HIS . 0.6 OUTLIER -69.04 -48.4 62.95 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.18 179.196 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -63.54 -24.98 68.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.991 179.135 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 14' ' ' ALA . . . . . 0.929 ' CB ' HG11 ' D' ' 116' ' ' VAL . . . -78.39 -52.52 8.45 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.717 179.06 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 15' ' ' LEU . . . . . 0.756 HD22 ' HB3' ' C' ' 44' ' ' PHE . 0.4 OUTLIER -66.42 -28.39 68.58 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.011 179.753 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 16' ' ' HIS . . . . . 0.526 ' HB2' ' O ' ' C' ' 12' ' ' GLN . 0.1 OUTLIER -72.24 -45.09 61.68 Favored 'General case' 0 CA--C 1.519 -0.224 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 178.502 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . 0.93 HD22 ' CZ ' ' C' ' 21' ' ' TYR . 1.5 mt -62.55 -38.57 90.54 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.266 178.6 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . 0.942 ' CD2' HG11 ' D' ' 92' ' ' VAL . 36.3 mt -61.03 -43.15 99.32 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.815 -1.084 . . . . 0.0 110.831 179.702 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . 0.416 ' O ' ' HG2' ' C' ' 22' ' ' ARG . 2.0 mt-10 -62.09 -42.34 99.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.982 -179.779 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -72.8 -32.87 65.87 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.231 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 21' ' ' TYR . . . . . 0.93 ' CZ ' HD22 ' C' ' 17' ' ' LEU . 17.1 m-30 -70.3 -47.21 62.18 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.658 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 22' ' ' ARG . . . . . 0.443 ' HB2' ' HB2' ' C' ' 34' ' ' ARG . 0.4 OUTLIER -58.24 -45.4 87.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.912 179.859 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 23' ' ' SER . . . . . 0.432 ' N ' ' HG3' ' C' ' 22' ' ' ARG . 4.3 m -59.35 -41.63 89.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.579 179.651 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 24' ' ' LYS . . . . . 0.457 ' HG3' ' HB ' ' D' ' 103' ' ' THR . 9.8 ptmt -91.08 1.68 56.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.198 179.636 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 25' ' ' LEU . . . . . 0.873 HD12 HD11 ' C' ' 37' ' ' ILE . 0.1 OUTLIER -87.97 -69.82 0.67 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.96 0.409 . . . . 0.0 111.153 -179.63 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . 0.753 ' OG ' ' HB3' ' C' ' 34' ' ' ARG . 69.5 m -62.94 -153.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.087 -179.152 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 27' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 60.39 21.02 10.62 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-O 120.961 0.41 . . . . 0.0 109.985 -179.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 28' ' ' THR . . . . . 0.62 HG23 ' N ' ' C' ' 29' ' ' GLU . 8.3 t -144.62 -57.85 0.36 Allowed 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.002 -179.389 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 29' ' ' GLU . . . . . 0.62 ' N ' HG23 ' C' ' 28' ' ' THR . 16.4 pt-20 -177.61 28.45 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.721 -179.343 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -149.48 53.26 0.95 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.994 0.426 . . . . 0.0 110.761 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . 0.493 ' HD2' ' HB3' ' C' ' 26' ' ' SER . 13.7 mmm180 -63.6 -53.37 52.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.867 -179.787 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.46 -36.5 71.52 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.593 179.702 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 33' ' ' LEU . . . . . 0.808 ' HG ' HD11 ' C' ' 25' ' ' LEU . 1.1 tp -60.12 -48.87 79.91 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.322 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 34' ' ' ARG . . . . . 0.753 ' HB3' ' OG ' ' C' ' 26' ' ' SER . 0.0 OUTLIER -61.41 -29.74 70.12 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 179.203 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 1.7 t -59.68 -42.97 94.12 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.428 178.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 36' ' ' SER . . . . . 0.663 ' O ' HG23 ' C' ' 40' ' ' VAL . 11.3 p -62.58 -42.31 99.48 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 178.484 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 37' ' ' ILE . . . . . 0.873 HD11 HD12 ' C' ' 25' ' ' LEU . 40.6 mt -59.82 -41.66 86.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 178.306 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 38' ' ' GLU . . . . . 0.41 ' HG2' ' NH1' ' C' ' 22' ' ' ARG . 7.1 mt-10 -58.6 -53.26 60.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 114.764 -1.107 . . . . 0.0 111.396 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 39' ' ' ARG . . . . . 0.463 ' HG3' ' HB1' ' D' ' 88' ' ' ALA . 4.2 ptp85 -55.91 -34.37 65.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.874 0.369 . . . . 0.0 110.05 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . 0.663 HG23 ' O ' ' C' ' 36' ' ' SER . 59.7 t -68.79 -30.24 46.35 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.844 178.435 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 41' ' ' ILE . . . . . 0.753 HD11 ' CB ' ' C' ' 18' ' ' LEU . 20.3 mm -69.34 -60.37 2.55 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.144 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.98 179.371 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 19.8 p -56.7 -46.01 81.47 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.901 0.381 . . . . 0.0 110.384 -179.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 43' ' ' ILE . . . . . . . . . . . . . 21.5 mt -60.44 -33.16 53.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.803 178.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 44' ' ' PHE . . . . . 0.756 ' HB3' HD22 ' C' ' 15' ' ' LEU . 0.2 OUTLIER -72.73 -60.06 2.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.839 179.55 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 45' ' ' GLN . . . . . 0.406 ' NE2' HG22 ' C' ' 41' ' ' ILE . 6.2 pt20 -78.39 -2.03 36.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.98 -178.671 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 46' ' ' SER . . . . . 0.407 ' CB ' ' CE1' ' D' ' 129' ' ' TYR . 0.1 OUTLIER -47.66 151.73 0.8 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.813 0.34 . . . . 0.0 111.46 -179.698 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.78 -31.84 70.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.987 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . 0.681 HD12 ' HA ' ' D' ' 129' ' ' TYR . 0.3 OUTLIER -77.68 -47.04 20.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.082 179.691 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 49' ' ' PHE . . . . . 0.984 ' CE2' HD11 ' C' ' 53' ' ' ILE . 71.1 t80 -50.68 -56.18 13.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.249 -179.44 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -54.45 -39.64 67.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.837 0.351 . . . . 0.0 110.796 179.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 51' ' ' ALA . . . . . 0.615 ' HB1' HG23 ' B' ' 132' ' ' ILE . . . -58.65 -45.28 89.67 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.063 0.459 . . . . 0.0 110.464 179.507 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 52' ' ' LEU . . . . . 0.557 HD13 ' O ' ' D' ' 125' ' ' LEU . 1.5 mt -61.34 -45.21 95.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.003 179.312 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 53' ' ' ILE . . . . . 0.984 HD11 ' CE2' ' C' ' 49' ' ' PHE . 54.9 mt -55.55 -31.84 29.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.228 179.125 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.9 -35.94 67.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.173 179.199 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 55' ' ' ILE . . . . . 0.828 HD11 ' CG1' ' B' ' 132' ' ' ILE . 56.5 mt -64.1 -50.7 75.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.789 179.573 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 56' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -50.21 -24.88 3.12 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.501 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 57' ' ' GLU . . . . . 0.407 ' O ' ' CD2' ' C' ' 58' ' ' PHE . 3.2 mm-40 -46.66 -29.66 1.97 Allowed 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.869 0.366 . . . . 0.0 110.992 179.77 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 58' ' ' PHE . . . . . 0.451 ' CG ' ' HB2' ' A' ' 65' ' ' ASP . 61.1 m-85 -157.24 27.66 0.3 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.156 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 59' ' ' TYR . . . . . 0.929 ' CD2' HD21 ' B' ' 128' ' ' LEU . 47.5 m-85 -137.67 74.58 1.49 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.691 179.7 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 60' ' ' GLU . . . . . 0.477 ' HB2' ' HB ' ' A' ' 62' ' ' THR . 0.7 OUTLIER -57.74 91.83 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.207 -179.847 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 61' ' ' VAL . . . . . 0.551 HG23 HG21 ' D' ' 124' ' ' THR . 0.1 OUTLIER -73.35 99.99 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 120.834 0.349 . . . . 0.0 111.02 179.888 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 62' ' ' THR . . . . . 0.423 ' HB ' ' HB2' ' A' ' 60' ' ' GLU . 2.8 m -84.84 119.01 24.84 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.413 179.614 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 63' ' ' LEU . . . . . 0.645 HD22 ' HB3' ' C' ' 66' ' ' ASN . 0.2 OUTLIER -91.94 134.54 34.7 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.056 -179.704 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 64' ' ' LEU . . . . . 0.714 HD23 ' N ' ' C' ' 64' ' ' LEU . 0.1 OUTLIER -115.77 -29.52 6.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.778 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 65' ' ' ASP . . . . . 0.414 ' HB2' ' CG ' ' A' ' 58' ' ' PHE . 0.2 OUTLIER -90.56 9.71 28.42 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.147 179.782 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 66' ' ' ASN . . . . . 0.645 ' HB3' HD22 ' C' ' 63' ' ' LEU . 10.6 p-10 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.201 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.534 0 N-CA-C 109.643 -1.383 . . . . 0.0 109.643 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 82' ' ' LEU . . . . . 0.841 ' N ' HD23 ' D' ' 82' ' ' LEU . 0.3 OUTLIER -76.98 -29.15 55.39 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 177.676 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' D' D ' 83' ' ' LEU . . . . . 0.967 HD23 ' H ' ' D' ' 84' ' ' ALA . 0.1 OUTLIER -59.12 -53.82 54.01 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 114.839 -1.073 . . . . 0.0 110.688 179.912 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' D' D ' 84' ' ' ALA . . . . . 0.967 ' H ' HD23 ' D' ' 83' ' ' LEU . . . -72.18 -22.94 61.21 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.07 -179.294 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 85' ' ' ALA . . . . . 0.861 ' HB1' ' HB2' ' D' ' 126' ' ' LEU . . . -52.75 -25.38 11.0 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.147 0.499 . . . . 0.0 109.854 179.167 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 86' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -127.11 -39.66 1.9 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.08 178.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 87' ' ' ARG . . . . . 0.739 ' HB3' ' O ' ' D' ' 83' ' ' LEU . 12.3 ttt180 -63.75 -40.34 96.47 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.269 179.263 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 88' ' ' ALA . . . . . 0.74 ' HB2' ' HB1' ' D' ' 84' ' ' ALA . . . -68.63 -49.67 57.37 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.682 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 89' ' ' VAL . . . . . 0.669 HG12 ' HB3' ' D' ' 117' ' ' PHE . 27.5 t -66.82 -34.71 71.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.349 179.261 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 90' ' ' SER . . . . . 0.485 ' HA ' ' HB2' ' D' ' 93' ' ' LEU . 58.3 m -76.16 -25.49 55.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.697 179.572 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 91' ' ' GLN . . . . . 0.441 ' NE2' ' HG2' ' D' ' 87' ' ' ARG . 10.2 mt-30 -66.81 -54.52 21.68 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-O 121.31 0.576 . . . . 0.0 109.524 179.369 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 92' ' ' VAL . . . . . 0.942 HG11 ' CD2' ' C' ' 18' ' ' LEU . 3.7 t -68.09 -28.06 39.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.945 178.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 93' ' ' LEU . . . . . 0.727 HD21 ' HA ' ' D' ' 114' ' ' HIS . 2.0 mt -66.22 -32.96 74.7 Favored 'General case' 0 C--O 1.23 0.059 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.284 179.707 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -86.29 -44.66 11.94 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.834 0.35 . . . . 0.0 111.355 -179.279 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 95' ' ' SER . . . . . 0.717 ' HB3' HD21 ' C' ' 33' ' ' LEU . 0.3 OUTLIER -79.98 -13.86 59.02 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.093 -0.503 . . . . 0.0 112.318 -179.284 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' D' D ' 96' ' ' LEU . . . . . 0.973 HD12 ' CD2' ' D' ' 114' ' ' HIS . 0.2 OUTLIER -39.49 -52.09 2.14 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -179.355 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -68.21 -31.43 70.93 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.232 -179.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 98' ' ' GLU . . . . . 0.84 ' O ' ' HB3' ' D' ' 101' ' ' ALA . 0.1 OUTLIER -69.87 -33.38 72.17 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 178.204 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' D' D ' 99' ' ' ILE . . . . . 0.517 HG23 HG21 ' D' ' 103' ' ' THR . 50.8 mt -63.21 -48.99 84.99 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.811 0 CA-C-N 114.521 -1.218 . . . . 0.0 109.491 178.458 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 100' ' ' HIS . . . . . 0.792 ' HB2' HD11 ' D' ' 110' ' ' LEU . 1.7 t-160 -55.43 -34.59 64.58 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 177.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 101' ' ' ALA . . . . . 0.84 ' HB3' ' O ' ' D' ' 98' ' ' GLU . . . -54.97 -46.88 75.11 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 114.445 -1.252 . . . . 0.0 111.582 178.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 102' ' ' LEU . . . . . 0.776 HD21 ' OE2' ' D' ' 98' ' ' GLU . 0.4 OUTLIER -116.82 35.47 4.59 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.312 -0.858 . . . . 0.0 112.464 -177.836 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' D' D ' 103' ' ' THR . . . . . 0.667 HG23 HD12 ' D' ' 102' ' ' LEU . 49.9 p -152.0 -30.89 0.16 Allowed 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.902 -0.319 . . . . 0.0 111.783 179.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 76.64 22.85 1.13 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.008 0.432 . . . . 0.0 110.669 -179.452 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 105' ' ' SER . . . . . 0.467 ' HB3' ' CE1' ' C' ' 21' ' ' TYR . 1.9 p -57.02 -21.64 32.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.917 179.479 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 106' ' ' SER . . . . . 0.408 ' CB ' ' O ' ' D' ' 105' ' ' SER . 4.4 t 81.47 120.85 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.748 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -51.16 -29.17 12.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.124 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.72 -55.11 39.15 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.024 0.44 . . . . 0.0 110.201 179.641 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 109' ' ' ASP . . . . . 0.667 ' O ' HD12 ' D' ' 113' ' ' LEU . 68.3 m-20 -63.19 -35.28 79.78 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.956 179.063 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 110' ' ' LEU . . . . . 0.935 HD22 HD22 ' D' ' 96' ' ' LEU . 40.2 mt -63.71 -40.18 96.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.105 179.212 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 111' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -61.45 -44.38 97.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.399 179.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 112' ' ' PHE . . . . . 0.59 ' O ' HG23 ' D' ' 116' ' ' VAL . 3.1 t80 -58.98 -42.28 89.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.303 179.541 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 113' ' ' LEU . . . . . 0.692 HD11 ' CD1' ' C' ' 17' ' ' LEU . 0.5 OUTLIER -73.06 -31.66 64.55 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.797 -179.797 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' D' D ' 114' ' ' HIS . . . . . 0.973 ' CD2' HD12 ' D' ' 96' ' ' LEU . 36.7 m170 -60.21 -35.4 75.33 Favored 'General case' 0 CA--C 1.518 -0.273 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 177.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 115' ' ' SER . . . . . 0.428 ' HA ' ' HB2' ' D' ' 118' ' ' GLN . 4.7 t -73.81 -39.44 64.08 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.03 178.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 116' ' ' VAL . . . . . 0.929 HG11 ' CB ' ' C' ' 14' ' ' ALA . 62.5 t -60.67 -23.49 29.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.91 178.475 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 117' ' ' PHE . . . . . 0.669 ' HB3' HG12 ' D' ' 89' ' ' VAL . 7.9 m-30 -106.24 -21.47 13.1 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.393 -179.672 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 118' ' ' GLN . . . . . 0.433 ' NE2' HD11 ' D' ' 93' ' ' LEU . 0.0 OUTLIER -71.83 -30.44 65.49 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.718 0.294 . . . . 0.0 111.134 -179.745 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -43.48 142.57 1.11 Allowed 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.734 -179.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 120' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -82.79 -48.76 10.45 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.843 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 121' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.7 -34.0 64.69 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.549 179.694 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 122' ' ' LEU . . . . . 0.808 HD22 ' O ' ' D' ' 116' ' ' VAL . 43.0 tp -55.8 -49.25 73.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.145 179.656 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 123' ' ' HIS . . . . . 0.878 ' HA ' HD12 ' D' ' 126' ' ' LEU . 0.0 OUTLIER -52.31 -27.13 14.08 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.094 179.08 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' D' D ' 124' ' ' THR . . . . . 0.59 HG22 HD11 ' D' ' 128' ' ' LEU . 3.6 m -75.44 -35.25 60.96 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.948 179.243 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 125' ' ' LEU . . . . . 0.806 HD12 HD12 ' D' ' 122' ' ' LEU . 14.7 mt -65.26 -41.19 94.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.229 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 126' ' ' LEU . . . . . 0.878 HD12 ' HA ' ' D' ' 123' ' ' HIS . 0.3 OUTLIER -73.13 -41.42 64.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.263 -179.65 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' D' D ' 127' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.4 -53.25 60.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.862 0.363 . . . . 0.0 111.08 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 128' ' ' LEU . . . . . 0.912 HD21 ' CD2' ' A' ' 59' ' ' TYR . 5.2 mt -70.16 -29.54 66.47 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.323 179.729 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 129' ' ' TYR . . . . . 0.681 ' HA ' HD12 ' C' ' 48' ' ' LEU . 3.2 t80 -56.27 -53.53 56.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.515 -179.173 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 130' ' ' ASP . . . . . 0.436 ' HB3' ' CD2' ' D' ' 82' ' ' LEU . 1.7 m-20 -77.51 -29.37 52.41 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.51 -0.313 . . . . 0.0 111.386 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.56 -53.91 48.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.932 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 132' ' ' ILE . . . . . 0.728 HD12 ' O ' ' D' ' 128' ' ' LEU . 1.8 mt -77.02 -41.8 31.55 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.755 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 133' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -63.01 -25.49 68.41 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.246 -179.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 134' ' ' THR . . . . . . . . . . . . . 88.3 m -94.3 -26.72 16.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.882 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 135' ' ' LYS . . . . . 0.48 ' HG2' ' HB2' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -78.8 -33.04 46.55 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.163 179.898 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' D' D ' 136' ' ' SER . . . . . . . . . . . . . 34.2 m . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.722 -179.976 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.21 0 N-CA-C 110.059 -0.348 . . . . 0.0 110.059 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.98 -37.86 88.95 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 121.157 0.503 . . . . 0.0 109.763 178.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 56.2 mm-40 -73.77 -31.57 63.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.12 179.175 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.31 -34.14 55.46 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.016 179.594 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.3 p -72.95 -47.82 42.17 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.019 179.376 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.553 ' HA ' HD23 ' A' ' 15' ' ' LEU . 0.5 OUTLIER -63.6 -34.19 77.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.089 179.54 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.411 ' HD3' ' CZ ' ' B' ' 112' ' ' PHE . 59.3 ttt85 -75.32 -25.48 57.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.106 179.043 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.827 ' CB ' HG11 ' B' ' 116' ' ' VAL . . . -78.38 -55.34 5.31 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 178.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.781 ' O ' HD12 ' A' ' 41' ' ' ILE . 0.3 OUTLIER -60.37 -28.45 68.21 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.128 179.365 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.407 ' CD2' ' O ' ' A' ' 12' ' ' GLN . 9.6 m-70 -73.99 -45.46 49.82 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.228 0.537 . . . . 0.0 110.038 179.006 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.678 ' CD1' HD11 ' B' ' 113' ' ' LEU . 2.1 mt -60.65 -49.45 77.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.791 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 1.062 HD22 HG11 ' B' ' 92' ' ' VAL . 0.9 OUTLIER -61.99 -35.27 78.03 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.271 179.811 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.434 ' CG ' HG21 ' A' ' 41' ' ' ILE . 8.8 mt-10 -58.14 -43.44 87.34 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.183 0.516 . . . . 0.0 110.22 179.286 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.52 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 7.3 mm-40 -69.74 -34.37 73.73 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.892 179.37 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.623 ' CZ ' HD22 ' A' ' 17' ' ' LEU . 22.4 m-30 -66.52 -48.56 69.34 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.804 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.421 ' CG ' ' O ' ' A' ' 19' ' ' GLU . 0.3 OUTLIER -55.47 -42.83 74.89 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 120.781 0.324 . . . . 0.0 110.48 179.742 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.407 ' O ' ' CG ' ' A' ' 27' ' ' GLN . 0.8 OUTLIER -63.55 -32.54 74.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.116 179.475 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.52 ' HG3' ' O ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -114.31 21.69 14.43 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.714 0.292 . . . . 0.0 111.762 -179.736 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.88 HD12 HD11 ' A' ' 37' ' ' ILE . 0.0 OUTLIER -118.14 -55.92 2.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.808 0.337 . . . . 0.0 110.87 -179.715 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.555 ' HB2' ' HA ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -67.85 -12.11 59.98 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.181 -0.463 . . . . 0.0 112.12 -178.944 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.434 ' OE1' ' NH1' ' A' ' 31' ' ' ARG . 2.1 mm100 -79.37 55.57 1.94 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.757 0.313 . . . . 0.0 110.885 -179.719 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.495 HG23 ' N ' ' A' ' 29' ' ' GLU . 5.8 t -173.42 -54.02 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.822 0.304 . . . . 0.0 111.822 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.495 ' N ' HG23 ' A' ' 28' ' ' THR . 8.5 pt-20 -175.1 27.64 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.983 -179.307 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -136.77 48.13 2.12 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.018 0.437 . . . . 0.0 111.227 -179.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.555 ' HA ' ' HB2' ' A' ' 26' ' ' SER . 25.6 mmm180 -61.55 -46.95 87.75 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.202 0.525 . . . . 0.0 110.149 179.308 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.72 -46.78 86.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.58 178.696 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.691 HD21 ' HB3' ' B' ' 95' ' ' SER . 5.2 tp -54.33 -33.43 58.91 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.872 178.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.499 ' HB2' ' HB2' ' A' ' 26' ' ' SER . 0.6 OUTLIER -60.68 -47.24 87.13 Favored 'General case' 0 CA--C 1.513 -0.468 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.273 178.746 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.3 t -55.42 -37.26 67.41 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.171 179.062 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.439 ' HA ' ' HD2' ' A' ' 39' ' ' ARG . 1.5 m -67.89 -51.18 51.0 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.166 0.508 . . . . 0.0 110.029 179.06 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.88 HD11 HD12 ' A' ' 25' ' ' LEU . 67.0 mt -56.9 -41.63 76.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.796 178.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -60.04 -40.52 89.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.738 179.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.439 ' HD2' ' HA ' ' A' ' 36' ' ' SER . 7.8 mtt180 -55.49 -51.37 67.2 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 121.266 0.555 . . . . 0.0 109.813 179.37 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.598 HG11 ' CZ ' ' B' ' 117' ' ' PHE . 44.4 t -60.44 -31.45 48.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.536 179.615 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.781 HD12 ' O ' ' A' ' 15' ' ' LEU . 7.2 mm -69.1 -52.6 32.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 N-CA-C 111.76 0.281 . . . . 0.0 111.76 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.4 t -65.7 -48.45 71.95 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.834 0.35 . . . . 0.0 111.19 -179.045 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.813 HG23 ' CE2' ' B' ' 129' ' ' TYR . 8.1 mt -59.65 -33.34 51.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.476 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.718 ' HB3' HD22 ' A' ' 15' ' ' LEU . 3.0 m-85 -72.23 -54.9 8.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.919 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.429 ' HG2' ' O ' ' A' ' 41' ' ' ILE . 5.7 pt20 -82.26 3.16 28.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 112.096 -178.487 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.427 ' OG ' ' CE1' ' B' ' 129' ' ' TYR . 1.6 t -51.29 145.5 8.11 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.85 0.357 . . . . 0.0 111.092 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -61.63 -36.11 79.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.143 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.779 HD21 ' HB ' ' B' ' 132' ' ' ILE . 1.5 tp -77.89 -44.99 25.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.091 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.94 ' O ' HD23 ' A' ' 52' ' ' LEU . 19.1 t80 -50.85 -56.24 13.15 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.905 0.383 . . . . 0.0 111.019 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -57.63 -36.7 72.17 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.07 0.462 . . . . 0.0 110.483 179.578 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.55 -49.22 78.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.701 -0.682 . . . . 0.0 111.831 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 1.083 HD11 ' HA ' ' B' ' 125' ' ' LEU . 0.2 OUTLIER -72.97 -32.79 65.43 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.893 -179.268 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.747 HG12 HD13 ' B' ' 125' ' ' LEU . 54.2 mt -55.44 -38.38 48.66 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 178.11 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -68.37 -43.08 78.18 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.271 178.338 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.766 HG22 ' HB2' ' A' ' 59' ' ' TYR . 82.9 mt -49.93 -40.37 16.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.637 178.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.98 -23.76 8.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.516 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -48.08 -28.27 2.77 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.837 0.351 . . . . 0.0 111.299 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.408 ' CB ' ' HB2' ' C' ' 65' ' ' ASP . 50.6 m-85 -155.51 25.92 0.4 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.303 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.848 ' CD2' HD21 ' D' ' 128' ' ' LEU . 42.5 m-85 -135.14 82.77 1.98 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.834 179.735 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.22 92.18 0.18 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.907 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -72.77 96.72 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 CA-C-O 120.899 0.38 . . . . 0.0 110.54 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.414 ' HB ' ' HB2' ' C' ' 60' ' ' GLU . 9.0 m -83.97 109.06 17.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.607 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.922 HD12 HG23 ' B' ' 124' ' ' THR . 0.2 OUTLIER -86.36 131.88 34.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.731 179.826 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.779 ' N ' HD23 ' A' ' 64' ' ' LEU . 0.1 OUTLIER -111.16 -27.82 8.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.887 -179.638 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.421 ' HB2' ' CG ' ' C' ' 58' ' ' PHE . 1.5 m-20 -96.87 11.06 37.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.953 179.611 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.549 ' CA ' HD22 ' A' ' 63' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.331 -0.225 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.27 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 111.427 -0.669 . . . . 0.0 111.427 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.53 HD23 ' C ' ' B' ' 82' ' ' LEU . 8.5 tt -111.13 -29.5 7.84 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.073 -0.563 . . . . 0.0 110.646 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . 0.992 HD23 ' H ' ' B' ' 84' ' ' ALA . 0.7 OUTLIER -66.26 -39.61 89.59 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.18 -0.918 . . . . 0.0 111.621 -179.388 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.992 ' H ' HD23 ' B' ' 83' ' ' LEU . . . -70.86 -26.88 63.46 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.797 -178.135 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 85' ' ' ALA . . . . . 0.945 ' HB1' ' HB3' ' B' ' 126' ' ' LEU . . . -53.39 -23.66 10.26 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.942 0.401 . . . . 0.0 110.405 179.434 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -123.62 -43.28 2.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.71 178.506 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 87' ' ' ARG . . . . . 0.663 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 7.2 ttt85 -61.65 -51.58 67.87 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.298 178.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . 0.716 ' HB3' ' O ' ' B' ' 84' ' ' ALA . . . -60.15 -35.97 76.5 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.495 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 89' ' ' VAL . . . . . 0.633 HG13 ' CD2' ' B' ' 117' ' ' PHE . 55.2 t -59.83 -45.38 94.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.213 179.131 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 6.1 m -70.65 -24.92 62.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.292 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 91' ' ' GLN . . . . . 0.585 HE21 ' HG2' ' B' ' 87' ' ' ARG . 58.4 mt-30 -67.98 -57.52 6.04 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-O 121.308 0.575 . . . . 0.0 109.932 179.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 92' ' ' VAL . . . . . 1.062 HG11 HD22 ' A' ' 18' ' ' LEU . 4.1 t -66.72 -27.85 41.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.088 179.327 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . 0.697 HD21 ' HA ' ' B' ' 114' ' ' HIS . 3.8 mt -66.83 -34.66 78.3 Favored 'General case' 0 C--O 1.23 0.077 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.11 179.594 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -89.21 -33.25 17.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.81 0.338 . . . . 0.0 111.355 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 95' ' ' SER . . . . . 0.691 ' HB3' HD21 ' A' ' 33' ' ' LEU . 1.2 m -80.11 -26.1 39.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 112.062 -179.31 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . 0.914 HD22 HD22 ' B' ' 110' ' ' LEU . 0.2 OUTLIER -38.79 -52.16 1.71 Allowed 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 112.55 0.574 . . . . 0.0 112.55 -178.912 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -68.65 -30.32 69.0 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.96 0.409 . . . . 0.0 111.115 -179.148 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . 0.806 ' O ' ' HB3' ' B' ' 101' ' ' ALA . 0.1 OUTLIER -69.49 -35.25 75.37 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 177.905 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 99' ' ' ILE . . . . . 0.497 HG23 HG21 ' B' ' 103' ' ' THR . 42.9 mt -61.0 -49.05 86.34 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.764 0 CA-C-N 114.323 -1.308 . . . . 0.0 109.646 178.368 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . 0.934 ' HB2' HD11 ' B' ' 110' ' ' LEU . 1.6 t-160 -57.17 -33.83 67.84 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 178.268 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . 0.806 ' HB3' ' O ' ' B' ' 98' ' ' GLU . . . -57.14 -44.4 83.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.519 -1.219 . . . . 0.0 112.058 179.558 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 102' ' ' LEU . . . . . 0.664 HD13 HD23 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -117.16 26.09 10.02 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 -177.409 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 103' ' ' THR . . . . . 0.641 HG23 HD12 ' B' ' 102' ' ' LEU . 41.2 p -141.42 -32.73 0.53 Allowed 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 121.018 -0.273 . . . . 0.0 111.346 179.483 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 1.1 t70 68.79 27.64 5.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.986 0.422 . . . . 0.0 110.331 -179.597 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 105' ' ' SER . . . . . 0.413 ' HB3' ' CE1' ' A' ' 21' ' ' TYR . 67.6 m -51.43 -75.72 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.702 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 167.25 104.09 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.418 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -47.15 -33.22 4.96 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.931 0.396 . . . . 0.0 110.495 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.33 -44.43 79.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.553 178.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 109' ' ' ASP . . . . . 0.617 ' O ' HD12 ' B' ' 113' ' ' LEU . 34.9 m-20 -62.93 -39.83 95.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.689 178.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 110' ' ' LEU . . . . . 0.934 HD11 ' HB2' ' B' ' 100' ' ' HIS . 26.7 mt -59.68 -48.07 83.11 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.589 179.088 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -52.54 -45.11 66.19 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.89 179.525 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 112' ' ' PHE . . . . . 0.478 ' O ' HG23 ' B' ' 116' ' ' VAL . 2.4 t80 -58.83 -43.47 90.71 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.692 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 113' ' ' LEU . . . . . 0.678 HD11 ' CD1' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -71.01 -40.02 72.05 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.082 -179.768 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 114' ' ' HIS . . . . . 0.697 ' HA ' HD21 ' B' ' 93' ' ' LEU . 99.2 m-70 -56.01 -31.89 63.48 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 178.288 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.64 -37.0 57.04 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 178.321 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 116' ' ' VAL . . . . . 0.827 HG11 ' CB ' ' A' ' 14' ' ' ALA . 38.4 t -60.29 -28.15 41.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.942 178.655 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 117' ' ' PHE . . . . . 0.633 ' CD2' HG13 ' B' ' 89' ' ' VAL . 0.6 OUTLIER -96.33 -37.21 10.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.748 -179.859 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 118' ' ' GLN . . . . . 0.404 ' NE2' ' CD1' ' B' ' 93' ' ' LEU . 0.0 OUTLIER -56.56 -31.36 64.12 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.059 -179.735 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -45.67 127.74 7.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.552 -179.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -73.18 -40.1 65.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.681 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -59.34 -35.1 73.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.603 179.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . 0.776 HD22 ' O ' ' B' ' 116' ' ' VAL . 33.9 tp -56.57 -47.71 78.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.466 179.579 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 123' ' ' HIS . . . . . 1.018 ' HA ' HD12 ' B' ' 126' ' ' LEU . 14.0 m170 -55.88 -23.6 32.09 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.097 178.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 124' ' ' THR . . . . . 0.922 HG23 HD12 ' A' ' 63' ' ' LEU . 3.2 m -78.13 -35.43 49.04 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 178.748 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . 1.083 ' HA ' HD11 ' A' ' 52' ' ' LEU . 19.8 mt -71.97 -31.86 66.69 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.166 -0.924 . . . . 0.0 110.354 179.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . 1.018 HD12 ' HA ' ' B' ' 123' ' ' HIS . 5.3 mt -73.02 -46.39 52.3 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.401 -179.431 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -63.24 -46.81 85.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.479 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . 0.971 HD21 ' CD2' ' C' ' 59' ' ' TYR . 11.0 mt -66.74 -39.27 87.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.963 0.411 . . . . 0.0 110.978 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 129' ' ' TYR . . . . . 0.813 ' CE2' HG23 ' A' ' 43' ' ' ILE . 0.6 OUTLIER -55.47 -47.39 76.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.663 -179.887 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 130' ' ' ASP . . . . . 0.525 ' CG ' ' HA ' ' B' ' 82' ' ' LEU . 0.2 OUTLIER -75.41 -40.17 58.09 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.527 -179.524 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 8.4 tppt? -54.59 -52.08 63.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.599 -179.263 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 132' ' ' ILE . . . . . 0.779 ' HB ' HD21 ' A' ' 48' ' ' LEU . 2.4 mt -72.68 -38.62 58.93 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 CA-C-O 120.9 0.381 . . . . 0.0 110.69 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 133' ' ' ASN . . . . . 0.5 ' HB2' HD23 ' A' ' 48' ' ' LEU . 49.1 t30 -59.18 -34.12 71.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.76 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 56.6 m -61.91 -25.89 67.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.033 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 8.4 mttm -110.9 -12.41 14.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.342 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 11.5 t . . . . . 0 C--N 1.33 -0.268 0 CA-C-O 120.697 0.284 . . . . 0.0 111.227 -179.921 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 7' ' ' ARG . . . . . . . . . . . . . 22.4 ttm105 . . . . . 0 N--CA 1.454 -0.25 0 CA-C-O 120.692 0.282 . . . . 0.0 110.45 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.88 -39.25 93.89 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.085 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 48.6 mm-40 -73.82 -25.68 60.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.018 178.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 10' ' ' ASP . . . . . 0.499 ' HB3' HG22 ' D' ' 116' ' ' VAL . 1.0 OUTLIER -80.49 -32.64 36.99 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.337 179.583 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 11' ' ' THR . . . . . 0.509 HG22 ' CE1' ' C' ' 44' ' ' PHE . 1.0 OUTLIER -70.63 -41.59 72.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.451 179.504 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 12' ' ' GLN . . . . . 0.426 ' HA ' HD23 ' C' ' 15' ' ' LEU . 0.7 OUTLIER -71.24 -42.86 68.32 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-O 120.923 0.392 . . . . 0.0 110.31 179.571 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 55.5 ttt180 -67.4 -27.03 66.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.806 179.1 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 14' ' ' ALA . . . . . 0.798 ' CB ' HG11 ' D' ' 116' ' ' VAL . . . -78.6 -51.9 9.23 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.568 178.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 15' ' ' LEU . . . . . 0.791 HD22 ' HB3' ' C' ' 44' ' ' PHE . 0.3 OUTLIER -66.11 -29.5 69.82 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.516 179.525 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 16' ' ' HIS . . . . . . . . . . . . . 48.7 t60 -70.77 -44.87 65.8 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 178.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . 0.668 ' CD1' HD11 ' D' ' 113' ' ' LEU . 3.0 mt -62.81 -36.49 83.34 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.153 -0.931 . . . . 0.0 109.348 178.394 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . 0.809 ' CD2' HG11 ' D' ' 92' ' ' VAL . 37.1 mt -63.83 -41.98 97.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.44 179.718 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . 0.575 ' N ' HD11 ' C' ' 41' ' ' ILE . 0.2 OUTLIER -59.09 -44.17 91.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.171 0.51 . . . . 0.0 110.647 179.806 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -70.38 -32.41 70.06 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.353 179.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 21' ' ' TYR . . . . . 0.654 ' O ' ' HB2' ' C' ' 25' ' ' LEU . 14.6 m-30 -70.62 -48.46 54.97 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.884 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 22' ' ' ARG . . . . . 0.431 ' HG3' ' N ' ' C' ' 23' ' ' SER . 0.7 OUTLIER -57.84 -38.59 75.93 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.756 0.312 . . . . 0.0 110.516 179.547 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 23' ' ' SER . . . . . 0.431 ' N ' ' HG3' ' C' ' 22' ' ' ARG . 37.3 m -62.11 -43.95 97.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.945 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 24' ' ' LYS . . . . . 0.404 ' O ' HG22 ' D' ' 103' ' ' THR . 10.4 ptmt -98.16 9.86 41.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.773 -179.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 25' ' ' LEU . . . . . 0.914 HD12 HD11 ' C' ' 37' ' ' ILE . 0.0 OUTLIER -103.89 -66.68 0.94 Allowed 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -179.152 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . 0.543 ' CB ' ' HB2' ' C' ' 34' ' ' ARG . 0.0 OUTLIER -64.87 -15.31 61.76 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 -178.422 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 27' ' ' GLN . . . . . 0.441 ' OE1' ' NH1' ' C' ' 31' ' ' ARG . 0.4 OUTLIER -76.76 57.88 1.35 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.939 0.399 . . . . 0.0 110.788 -179.682 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 28' ' ' THR . . . . . 0.638 HG22 ' O ' ' C' ' 25' ' ' LEU . 8.5 t -176.03 -57.61 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.64 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 29' ' ' GLU . . . . . 0.625 ' N ' HG23 ' C' ' 28' ' ' THR . 11.9 pt-20 -172.34 29.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.982 -0.554 . . . . 0.0 112.113 -178.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 30' ' ' ASP . . . . . 0.417 ' O ' ' HB2' ' C' ' 26' ' ' SER . 0.4 OUTLIER -138.84 44.95 2.03 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.904 0.383 . . . . 0.0 111.405 -179.857 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . 0.45 ' HA ' ' HB2' ' C' ' 26' ' ' SER . 6.6 mmm180 -54.69 -49.29 71.03 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.277 0.56 . . . . 0.0 110.404 179.518 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 24.8 tp60 -55.25 -44.14 75.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.893 179.025 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 33' ' ' LEU . . . . . 0.776 ' CD2' HD11 ' C' ' 25' ' ' LEU . 8.8 tp -57.23 -32.69 66.78 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.931 179.258 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 34' ' ' ARG . . . . . 0.543 ' HB2' ' CB ' ' C' ' 26' ' ' SER . 6.3 ttp180 -60.32 -45.57 92.95 Favored 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 178.312 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 15.9 m -54.79 -38.63 67.54 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.873 -1.058 . . . . 0.0 110.035 178.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 36' ' ' SER . . . . . 0.465 ' OG ' HD12 ' C' ' 33' ' ' LEU . 24.6 p -67.38 -51.75 48.27 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.278 179.253 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 37' ' ' ILE . . . . . 0.914 HD11 HD12 ' C' ' 25' ' ' LEU . 27.3 mt -59.49 -32.27 48.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.822 178.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -66.61 -43.96 83.36 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.655 179.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 39' ' ' ARG . . . . . 0.472 ' HB3' ' CB ' ' D' ' 88' ' ' ALA . 8.5 mtt180 -55.9 -52.42 64.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.081 179.544 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . 0.771 HG12 ' CE2' ' C' ' 44' ' ' PHE . 8.0 t -60.42 -31.2 48.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.448 -0.797 . . . . 0.0 110.252 179.802 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 41' ' ' ILE . . . . . 0.579 HD13 ' O ' ' C' ' 15' ' ' LEU . 1.3 mm -70.22 -58.67 4.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.462 179.606 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 53.7 p -57.59 -48.64 78.82 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-O 121.188 0.518 . . . . 0.0 110.447 -179.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 43' ' ' ILE . . . . . 0.722 HG23 ' CE2' ' D' ' 129' ' ' TYR . 8.6 mt -59.91 -32.01 48.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.127 178.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 44' ' ' PHE . . . . . 0.791 ' HB3' HD22 ' C' ' 15' ' ' LEU . 0.2 OUTLIER -71.86 -58.82 3.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.048 179.798 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 45' ' ' GLN . . . . . 0.516 ' HG2' ' O ' ' C' ' 41' ' ' ILE . 6.5 pt20 -69.25 -9.19 51.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.021 -0.536 . . . . 0.0 112.204 -178.422 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 46' ' ' SER . . . . . 0.431 ' OG ' ' CE1' ' D' ' 129' ' ' TYR . 0.2 OUTLIER -52.33 129.39 28.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.833 0.349 . . . . 0.0 110.652 179.758 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -57.43 -37.95 73.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.633 -179.462 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . 0.748 ' O ' HD12 ' C' ' 48' ' ' LEU . 1.4 tp -67.14 -46.8 72.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.807 0.336 . . . . 0.0 110.096 179.772 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 49' ' ' PHE . . . . . 0.422 ' HZ ' HD11 ' D' ' 122' ' ' LEU . 36.8 t80 -51.55 -39.82 58.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.138 179.41 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 50' ' ' GLN . . . . . 0.424 ' OE1' ' CA ' ' C' ' 50' ' ' GLN . 0.0 OUTLIER -64.61 -42.52 95.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.121 179.3 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.89 -44.12 91.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.843 179.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 52' ' ' LEU . . . . . 0.567 HD21 ' HB3' ' D' ' 128' ' ' LEU . 2.3 mt -61.71 -46.42 89.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.345 179.452 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 53' ' ' ILE . . . . . 0.74 HG12 HD13 ' D' ' 125' ' ' LEU . 43.4 mt -54.84 -34.57 31.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.357 179.346 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -73.21 -32.7 64.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.238 179.282 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 55' ' ' ILE . . . . . 0.692 HG22 ' HB2' ' C' ' 59' ' ' TYR . 43.4 mt -65.74 -35.22 74.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.775 179.55 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 56' ' ' GLN . . . . . 0.773 ' NE2' HD21 ' D' ' 125' ' ' LEU . 0.0 OUTLIER -52.76 -23.21 6.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.542 -179.886 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 57' ' ' GLU . . . . . 0.406 ' O ' ' CD2' ' C' ' 58' ' ' PHE . 77.3 mt-10 -46.72 -37.24 8.15 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.657 -179.672 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 58' ' ' PHE . . . . . 0.421 ' CG ' ' HB2' ' A' ' 65' ' ' ASP . 63.3 m-85 -155.44 38.9 0.39 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.792 0.33 . . . . 0.0 111.738 -179.59 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 59' ' ' TYR . . . . . 0.971 ' CD2' HD21 ' B' ' 128' ' ' LEU . 50.0 m-85 -141.15 95.1 2.78 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.758 179.639 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 60' ' ' GLU . . . . . 0.414 ' HB2' ' HB ' ' A' ' 62' ' ' THR . 0.7 OUTLIER -82.98 88.15 6.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.812 179.855 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 61' ' ' VAL . . . . . 0.666 HG23 HG21 ' D' ' 124' ' ' THR . 0.0 OUTLIER -72.6 100.71 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.937 0.399 . . . . 0.0 110.998 -179.884 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 62' ' ' THR . . . . . 0.431 ' O ' HD23 ' C' ' 64' ' ' LEU . 2.6 m -84.78 112.37 20.45 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.633 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 63' ' ' LEU . . . . . 0.433 HD12 HG23 ' D' ' 124' ' ' THR . 0.1 OUTLIER -83.78 131.81 34.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.678 179.707 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 64' ' ' LEU . . . . . 0.675 HD23 ' N ' ' C' ' 64' ' ' LEU . 0.1 OUTLIER -114.32 -30.9 6.45 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.024 -179.694 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 65' ' ' ASP . . . . . 0.408 ' HB2' ' CB ' ' A' ' 58' ' ' PHE . 0.4 OUTLIER -71.97 -35.74 69.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.614 179.782 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 66' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.515 -0.375 0 CA-C-O 121.418 0.628 . . . . 0.0 110.842 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 81' ' ' GLY . . . . . 0.759 ' O ' ' HB2' ' D' ' 85' ' ' ALA . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 109.995 -1.242 . . . . 0.0 109.995 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 82' ' ' LEU . . . . . 0.587 HD23 ' O ' ' D' ' 82' ' ' LEU . 8.8 tt -96.62 -27.13 14.95 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 114.5 -0.85 . . . . 0.0 109.546 178.7 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 83' ' ' LEU . . . . . 0.86 HD23 ' H ' ' D' ' 84' ' ' ALA . 0.8 OUTLIER -72.42 -38.66 68.32 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-N 114.935 -1.029 . . . . 0.0 110.59 179.898 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' D' D ' 84' ' ' ALA . . . . . 0.941 ' HB1' ' HB2' ' D' ' 88' ' ' ALA . . . -109.45 1.82 20.13 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 115.111 -0.949 . . . . 0.0 112.135 -178.26 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 85' ' ' ALA . . . . . 0.9 ' HB1' ' HB3' ' D' ' 126' ' ' LEU . . . -52.93 -24.85 10.16 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 177.742 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 86' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -118.87 -36.75 3.37 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 114.786 -1.097 . . . . 0.0 109.309 177.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 87' ' ' ARG . . . . . 0.87 ' HB2' ' HA ' ' D' ' 84' ' ' ALA . 1.0 OUTLIER -63.06 -56.55 15.98 Favored 'General case' 0 CA--C 1.521 -0.144 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.368 179.079 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' D' D ' 88' ' ' ALA . . . . . 0.941 ' HB2' ' HB1' ' D' ' 84' ' ' ALA . . . -55.75 -32.49 63.45 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.492 -179.647 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 89' ' ' VAL . . . . . 0.785 HG13 ' CD1' ' D' ' 117' ' ' PHE . 68.1 t -68.67 -35.45 70.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.552 178.354 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 1.3 m -75.26 -28.44 59.83 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.78 179.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 91' ' ' GLN . . . . . 0.549 ' NE2' ' HA ' ' D' ' 88' ' ' ALA . 17.7 mt-30 -65.04 -57.22 9.22 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-O 121.31 0.576 . . . . 0.0 109.494 179.199 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 92' ' ' VAL . . . . . 0.809 HG11 ' CD2' ' C' ' 18' ' ' LEU . 11.3 t -65.12 -28.03 43.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.221 179.362 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 93' ' ' LEU . . . . . 0.721 HD21 ' HA ' ' D' ' 114' ' ' HIS . 2.6 mt -68.17 -32.33 72.51 Favored 'General case' 0 C--O 1.23 0.043 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.371 179.783 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -89.04 -34.56 16.75 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.704 -179.266 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 95' ' ' SER . . . . . 0.611 ' CB ' HD11 ' C' ' 33' ' ' LEU . 4.2 m -80.09 -20.13 45.84 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.098 0.407 . . . . 0.0 112.098 -179.278 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 96' ' ' LEU . . . . . 0.914 HD12 ' CD2' ' D' ' 114' ' ' HIS . 0.2 OUTLIER -38.34 -50.56 1.49 Allowed 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -179.3 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 74.4 mt-10 -69.13 -33.23 73.13 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.032 -179.342 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 98' ' ' GLU . . . . . 0.798 ' O ' ' HB3' ' D' ' 101' ' ' ALA . 0.0 OUTLIER -68.64 -34.44 75.73 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 177.941 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' D' D ' 99' ' ' ILE . . . . . 0.513 HG12 ' HG ' ' C' ' 25' ' ' LEU . 20.6 mt -60.63 -49.27 85.15 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.843 0 CA-C-N 114.453 -1.249 . . . . 0.0 109.94 178.699 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 100' ' ' HIS . . . . . 0.793 ' HB2' HD11 ' D' ' 110' ' ' LEU . 12.0 t-160 -54.6 -40.38 68.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 122.137 0.97 . . . . 0.0 108.647 178.17 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 101' ' ' ALA . . . . . 0.798 ' HB3' ' O ' ' D' ' 98' ' ' GLU . . . -51.27 -45.89 62.22 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 113.607 -1.633 . . . . 0.0 111.987 179.606 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 102' ' ' LEU . . . . . 0.742 HD13 HD23 ' C' ' 25' ' ' LEU . 0.4 OUTLIER -117.3 31.84 6.5 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.744 -0.662 . . . . 0.0 112.747 -177.539 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' D' D ' 103' ' ' THR . . . . . 0.657 HG23 HD12 ' D' ' 102' ' ' LEU . 31.0 p -150.36 -31.34 0.19 Allowed 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.67 179.465 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 2.6 t70 66.53 28.34 9.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.099 0.476 . . . . 0.0 110.16 -179.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 105' ' ' SER . . . . . 0.441 ' HB2' ' CZ ' ' C' ' 21' ' ' TYR . 1.2 p -48.14 -81.02 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.022 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 106' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 165.56 107.33 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.177 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 107' ' ' GLU . . . . . 0.681 ' HA ' HD12 ' D' ' 110' ' ' LEU . 10.2 pt-20 -48.35 -37.73 17.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.842 0.353 . . . . 0.0 110.88 -179.66 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.07 -49.0 77.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.091 0.472 . . . . 0.0 109.914 179.246 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 109' ' ' ASP . . . . . 0.728 ' O ' HD12 ' D' ' 113' ' ' LEU . 2.7 m-20 -65.82 -33.36 75.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.884 179.042 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 110' ' ' LEU . . . . . 0.793 HD11 ' HB2' ' D' ' 100' ' ' HIS . 99.6 mt -63.36 -43.74 96.78 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.745 -0.662 . . . . 0.0 109.977 179.289 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 111' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.1 -41.23 97.99 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.359 179.62 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 112' ' ' PHE . . . . . 0.482 ' O ' HG23 ' D' ' 116' ' ' VAL . 1.1 t80 -58.5 -40.95 84.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.22 179.479 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 113' ' ' LEU . . . . . 0.728 HD12 ' O ' ' D' ' 109' ' ' ASP . 0.5 OUTLIER -73.22 -34.09 65.72 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.61 179.824 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' D' D ' 114' ' ' HIS . . . . . 0.914 ' CD2' HD12 ' D' ' 96' ' ' LEU . 37.7 m170 -57.79 -33.41 68.52 Favored 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 177.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 115' ' ' SER . . . . . 0.425 ' HA ' ' HB2' ' D' ' 118' ' ' GLN . 2.8 m -74.54 -39.62 62.22 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.136 178.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 116' ' ' VAL . . . . . 0.825 ' O ' HD22 ' D' ' 122' ' ' LEU . 53.1 t -58.03 -22.99 20.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.232 -0.894 . . . . 0.0 110.003 178.371 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 117' ' ' PHE . . . . . 0.785 ' CD1' HG13 ' D' ' 89' ' ' VAL . 32.0 m-85 -106.49 -30.95 8.76 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.583 -179.465 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 118' ' ' GLN . . . . . 0.44 ' NE2' HD11 ' D' ' 93' ' ' LEU . 0.0 OUTLIER -61.42 -32.88 72.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.359 -179.207 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -47.24 123.17 5.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.379 -179.681 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 120' ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -68.58 -44.43 74.41 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.795 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 121' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -55.74 -33.38 64.22 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.704 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 122' ' ' LEU . . . . . 0.837 HD12 HD12 ' D' ' 125' ' ' LEU . 37.2 tp -55.46 -48.53 74.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.651 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 123' ' ' HIS . . . . . 0.982 ' HA ' HD12 ' D' ' 126' ' ' LEU . 0.0 OUTLIER -53.64 -25.16 16.56 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.013 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' D' D ' 124' ' ' THR . . . . . 0.666 HG21 HG23 ' C' ' 61' ' ' VAL . 1.3 m -77.63 -35.28 52.81 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.532 178.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 125' ' ' LEU . . . . . 0.837 HD12 HD12 ' D' ' 122' ' ' LEU . 7.9 mt -72.7 -31.58 65.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.665 178.618 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 126' ' ' LEU . . . . . 0.982 HD12 ' HA ' ' D' ' 123' ' ' HIS . 3.9 mt -73.54 -49.99 23.66 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.599 -179.594 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 127' ' ' ASP . . . . . 0.438 ' OD1' ' N ' ' D' ' 128' ' ' LEU . 6.4 p30 -67.84 -33.77 75.41 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.243 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 128' ' ' LEU . . . . . 0.848 HD21 ' CD2' ' A' ' 59' ' ' TYR . 46.6 mt -75.19 -34.16 61.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.07 0.462 . . . . 0.0 110.478 179.715 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 129' ' ' TYR . . . . . 0.722 ' CE2' HG23 ' C' ' 43' ' ' ILE . 0.2 OUTLIER -62.55 -50.67 70.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.866 -179.571 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' D' D ' 130' ' ' ASP . . . . . 0.417 ' HB3' ' HB2' ' D' ' 82' ' ' LEU . 1.4 t70 -75.27 -27.78 59.53 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.736 -0.386 . . . . 0.0 111.261 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 131' ' ' LYS . . . . . . . . . . . . . 10.4 tttm -58.68 -53.58 56.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.85 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 132' ' ' ILE . . . . . 0.634 ' HB ' HD21 ' C' ' 48' ' ' LEU . 4.0 mt -72.64 -37.44 56.12 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.294 0 CA-C-O 121.079 0.466 . . . . 0.0 110.425 179.623 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 133' ' ' ASN . . . . . 0.447 ' HB2' HD23 ' C' ' 48' ' ' LEU . 39.4 t-20 -59.05 -25.63 63.89 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.631 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 134' ' ' THR . . . . . 0.676 HG22 ' O ' ' D' ' 134' ' ' THR . 90.2 m -94.29 27.32 2.95 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.048 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 135' ' ' LYS . . . . . 0.446 ' HG3' ' O ' ' D' ' 134' ' ' THR . 0.1 OUTLIER 41.36 32.36 0.21 Allowed 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.753 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' D' D ' 136' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.911 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.475 ' HD3' HG22 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -63.3 -39.64 95.13 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 121.249 0.547 . . . . 0.0 109.725 179.147 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 57.7 mm-40 -76.84 -28.4 55.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.151 179.107 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.804 ' HB3' HG22 ' B' ' 116' ' ' VAL . 0.8 OUTLIER -79.19 -29.89 43.14 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.434 179.636 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.58 HG22 ' CE1' ' A' ' 44' ' ' PHE . 1.5 p -74.12 -43.84 56.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.46 179.581 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.474 ' HA ' HD23 ' A' ' 15' ' ' LEU . 0.7 OUTLIER -69.79 -38.31 76.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.22 179.683 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -74.88 -24.47 58.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.101 179.022 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.906 ' CB ' HG11 ' B' ' 116' ' ' VAL . . . -78.63 -51.47 9.84 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.796 179.144 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.773 ' O ' HD12 ' A' ' 41' ' ' ILE . 0.4 OUTLIER -64.81 -28.71 69.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.888 179.734 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 55.4 t60 -73.49 -44.54 57.65 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 179.073 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.91 HD22 ' CE1' ' A' ' 21' ' ' TYR . 1.3 mt -61.66 -46.57 89.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.936 179.143 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.693 ' HB3' HG23 ' A' ' 37' ' ' ILE . 11.6 mt -59.28 -37.24 77.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.614 179.639 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.447 ' CG ' HG21 ' A' ' 41' ' ' ILE . 9.6 mt-10 -59.9 -48.2 82.66 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.292 0.568 . . . . 0.0 110.443 179.374 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.63 -31.12 70.92 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.468 178.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.91 ' CE1' HD22 ' A' ' 17' ' ' LEU . 7.2 m-30 -67.16 -49.07 66.05 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.769 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.476 ' HA ' HD12 ' A' ' 37' ' ' ILE . 6.2 ptm180 -58.9 -32.64 69.71 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 178.506 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.5 p -58.07 -54.7 44.02 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.912 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.724 ' HZ3' ' HA ' ' A' ' 21' ' ' TYR . 0.0 OUTLIER -100.06 6.35 45.01 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.109 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.962 HD12 HD11 ' A' ' 37' ' ' ILE . 0.0 OUTLIER -93.35 -58.81 2.19 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.59 0.233 . . . . 0.0 111.214 179.583 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.495 ' HB2' ' HB2' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -69.92 -16.06 63.16 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.027 0.38 . . . . 0.0 112.027 -178.852 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.419 ' OE1' ' NH1' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -75.2 57.99 0.9 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.98 0.419 . . . . 0.0 110.802 -179.907 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.622 HG23 ' N ' ' A' ' 29' ' ' GLU . 7.6 t -174.67 -58.49 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.799 -179.66 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.622 ' N ' HG23 ' A' ' 28' ' ' THR . 12.0 pt-20 -171.0 29.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.06 -0.518 . . . . 0.0 112.307 -178.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.552 ' HB2' HD22 ' A' ' 25' ' ' LEU . 2.6 m-20 -139.18 43.46 2.04 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.773 0.32 . . . . 0.0 111.53 -179.788 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.419 ' NH1' ' OE1' ' A' ' 27' ' ' GLN . 8.6 mmm180 -54.9 -46.21 74.8 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.289 0.566 . . . . 0.0 110.182 179.383 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -56.76 -46.43 81.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.762 -0.653 . . . . 0.0 109.661 178.756 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.657 HD21 ' HB3' ' B' ' 95' ' ' SER . 5.4 tp -55.96 -30.77 62.22 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.763 178.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.495 ' HB2' ' HB2' ' A' ' 26' ' ' SER . 0.2 OUTLIER -60.67 -49.85 75.86 Favored 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 178.579 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.6 t -54.7 -35.47 63.67 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.797 178.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.509 ' HB2' HG22 ' B' ' 92' ' ' VAL . 1.1 m -65.57 -51.67 58.06 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.079 178.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.962 HD11 HD12 ' A' ' 25' ' ' LEU . 66.4 mt -57.01 -44.03 82.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.756 179.028 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.64 -42.37 71.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.481 -0.782 . . . . 0.0 110.757 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.504 ' HB2' ' HB1' ' B' ' 88' ' ' ALA . 3.5 mtt180 -56.08 -52.63 63.6 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-O 121.269 0.557 . . . . 0.0 109.929 179.109 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.738 HG12 ' CD2' ' A' ' 44' ' ' PHE . 3.7 t -60.29 -32.83 51.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.256 -0.883 . . . . 0.0 110.644 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.773 HD12 ' O ' ' A' ' 15' ' ' LEU . 4.7 mm -70.94 -53.1 22.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.575 179.793 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.9 p -63.26 -48.45 78.15 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-O 120.946 0.403 . . . . 0.0 110.689 -179.435 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 7.1 mt -59.71 -33.28 51.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.119 179.215 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.738 ' CD2' HG12 ' A' ' 40' ' ' VAL . 0.3 OUTLIER -72.33 -56.17 5.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.945 -0.57 . . . . 0.0 112.121 179.648 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.409 ' NE2' HG22 ' A' ' 41' ' ' ILE . 5.3 pt20 -82.39 4.29 24.64 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 -178.17 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 p -50.39 173.6 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.71 0.29 . . . . 0.0 110.605 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -87.24 -38.16 16.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.849 0.357 . . . . 0.0 111.197 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.806 ' O ' HD12 ' A' ' 48' ' ' LEU . 1.4 tp -79.68 -43.94 21.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.682 -179.574 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.402 ' CE1' ' HB2' ' B' ' 125' ' ' LEU . 28.4 t80 -50.98 -56.28 13.2 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.609 0.242 . . . . 0.0 111.403 -179.356 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -53.94 -37.29 63.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.812 0.339 . . . . 0.0 110.579 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.556 ' CB ' HG23 ' D' ' 132' ' ' ILE . . . -58.87 -47.31 85.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.404 179.504 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.416 HD13 ' O ' ' B' ' 125' ' ' LEU . 2.3 mt -59.05 -45.65 90.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.305 179.418 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.88 HG12 HD13 ' B' ' 125' ' ' LEU . 28.5 mt -56.17 -34.0 38.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.724 179.707 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -73.17 -34.76 66.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.316 179.393 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.837 HG22 ' HB2' ' A' ' 59' ' ' TYR . 90.1 mt -65.67 -41.83 91.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.774 179.732 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.782 ' NE2' HD21 ' B' ' 125' ' ' LEU . 2.3 tt0 -52.26 -23.72 6.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.524 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.403 ' O ' ' CD2' ' A' ' 58' ' ' PHE . 34.1 mt-10 -47.48 -30.04 3.15 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.706 0.289 . . . . 0.0 111.246 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.418 ' CB ' ' HB2' ' C' ' 65' ' ' ASP . 61.6 m-85 -157.54 26.91 0.29 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.425 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.868 ' CD2' HD21 ' D' ' 128' ' ' LEU . 26.4 m-85 -135.41 74.51 1.52 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.585 179.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -62.55 95.9 0.08 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.828 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.475 HG23 HG21 ' B' ' 124' ' ' THR . 0.0 OUTLIER -72.83 96.81 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.973 0.416 . . . . 0.0 110.648 179.86 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.2 m -77.82 120.28 22.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.809 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.751 HD11 ' CE2' ' C' ' 59' ' ' TYR . 0.0 OUTLIER -92.16 126.11 37.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.418 179.494 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.638 ' N ' HD23 ' A' ' 64' ' ' LEU . 0.1 OUTLIER -109.77 -30.25 7.94 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.005 -179.712 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.416 ' HB2' ' CG ' ' C' ' 58' ' ' PHE . 0.7 OUTLIER -65.92 -43.43 88.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.466 179.742 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.466 0.333 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.717 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 N-CA-C 110.179 -1.168 . . . . 0.0 110.179 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.763 HD23 ' O ' ' B' ' 82' ' ' LEU . 8.8 tt -104.53 -15.93 15.2 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 114.713 -0.744 . . . . 0.0 110.044 179.089 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . 0.984 HD23 ' H ' ' B' ' 84' ' ' ALA . 0.7 OUTLIER -76.19 -40.36 52.57 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.286 -179.489 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.984 ' H ' HD23 ' B' ' 83' ' ' LEU . . . -81.98 -20.95 37.47 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.551 -0.75 . . . . 0.0 112.5 -178.23 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 85' ' ' ALA . . . . . 0.907 ' HB1' ' HB3' ' B' ' 126' ' ' LEU . . . -52.31 -23.25 5.5 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.213 -0.595 . . . . 0.0 110.092 179.63 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.12 -38.31 2.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.888 178.581 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 87' ' ' ARG . . . . . 0.685 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 38.8 ttt85 -67.42 -43.02 82.23 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.593 179.397 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . 0.957 ' HB2' ' HB1' ' B' ' 84' ' ' ALA . . . -70.05 -40.46 75.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.897 -179.757 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 89' ' ' VAL . . . . . 0.592 HG12 ' HB3' ' B' ' 117' ' ' PHE . 39.3 t -70.76 -37.99 71.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.546 179.523 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 13.8 t -76.2 -40.92 51.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.385 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 91' ' ' GLN . . . . . 0.444 ' NE2' ' HA ' ' B' ' 88' ' ' ALA . 6.2 pt20 -66.02 -49.38 67.94 Favored 'General case' 0 CA--C 1.52 -0.196 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 92' ' ' VAL . . . . . 0.64 HG23 ' O ' ' B' ' 88' ' ' ALA . 51.3 t -66.29 -27.83 41.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.426 177.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . 0.736 HD21 ' HA ' ' B' ' 114' ' ' HIS . 1.7 mt -61.17 -43.53 98.74 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.133 179.451 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -78.13 -27.29 48.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.987 -179.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 95' ' ' SER . . . . . 0.657 ' HB3' HD21 ' A' ' 33' ' ' LEU . 6.8 m -79.63 -24.58 41.81 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.616 -179.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . 0.913 HD22 HD22 ' B' ' 110' ' ' LEU . 0.2 OUTLIER -38.84 -52.32 1.74 Allowed 'General case' 0 N--CA 1.464 0.275 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 -179.379 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 -68.87 -28.48 66.74 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.174 -179.269 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . 0.761 ' O ' ' HB3' ' B' ' 101' ' ' ALA . 0.2 OUTLIER -70.08 -36.65 75.08 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.842 -1.17 . . . . 0.0 107.842 177.605 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 99' ' ' ILE . . . . . 0.583 ' O ' HG23 ' B' ' 103' ' ' THR . 38.9 mt -59.09 -47.43 90.1 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.675 0 CA-C-N 114.39 -1.277 . . . . 0.0 109.861 178.264 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . 0.888 ' HB2' HD11 ' B' ' 110' ' ' LEU . 2.0 t-160 -60.36 -33.87 73.05 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 178.414 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . 0.761 ' HB3' ' O ' ' B' ' 98' ' ' GLU . . . -57.26 -41.64 80.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.599 -1.182 . . . . 0.0 112.041 179.611 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 102' ' ' LEU . . . . . 0.772 HD13 HD23 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -119.22 30.62 7.03 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -177.244 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 103' ' ' THR . . . . . 0.61 HG23 HD12 ' B' ' 102' ' ' LEU . 32.4 p -146.37 -36.15 0.26 Allowed 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.896 -0.321 . . . . 0.0 111.387 179.598 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 2.0 t0 73.72 27.34 1.75 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.986 0.422 . . . . 0.0 110.474 -179.393 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 1.9 m -52.19 -78.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.896 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 168.42 108.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.406 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -48.58 -32.6 8.36 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.726 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 4.7 tptt -67.1 -44.36 80.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.91 179.152 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 109' ' ' ASP . . . . . 0.729 ' O ' HD12 ' B' ' 113' ' ' LEU . 7.1 m-20 -65.74 -34.17 77.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.053 179.159 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 110' ' ' LEU . . . . . 0.913 HD22 HD22 ' B' ' 96' ' ' LEU . 14.0 mt -63.94 -45.5 88.9 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.223 179.403 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.77 -39.87 90.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.51 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 112' ' ' PHE . . . . . 0.519 ' O ' HG23 ' B' ' 116' ' ' VAL . 0.6 OUTLIER -60.49 -44.64 95.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.7 179.825 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 113' ' ' LEU . . . . . 0.734 HD11 ' CD1' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -70.58 -31.97 69.18 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.164 -179.639 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 114' ' ' HIS . . . . . 0.736 ' HA ' HD21 ' B' ' 93' ' ' LEU . 0.0 OUTLIER -62.25 -37.95 87.41 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 178.784 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 3.0 m -71.83 -35.78 70.0 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 178.146 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 116' ' ' VAL . . . . . 0.906 HG11 ' CB ' ' A' ' 14' ' ' ALA . 41.7 t -64.41 -23.12 32.67 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 CA-C-N 115.189 -0.914 . . . . 0.0 109.629 178.001 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 117' ' ' PHE . . . . . 0.592 ' HB3' HG12 ' B' ' 89' ' ' VAL . 7.4 m-30 -104.19 -22.54 13.38 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.699 -179.634 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 118' ' ' GLN . . . . . 0.425 ' HB2' ' O ' ' B' ' 114' ' ' HIS . 0.0 OUTLIER -77.94 -32.56 51.6 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.695 0.283 . . . . 0.0 111.39 -179.463 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -41.59 118.42 1.07 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.836 -179.258 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 120' ' ' GLN . . . . . 0.455 ' O ' ' CD2' ' B' ' 123' ' ' HIS . 0.0 OUTLIER -59.85 -41.37 91.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.514 179.734 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 31.6 m-70 -55.51 -33.51 63.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.335 179.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . 0.845 HD22 ' O ' ' B' ' 116' ' ' VAL . 36.8 tp -55.93 -48.99 74.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.062 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 123' ' ' HIS . . . . . 0.938 ' HA ' HD12 ' B' ' 126' ' ' LEU . 0.1 OUTLIER -56.78 -26.02 56.67 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.928 0.394 . . . . 0.0 110.094 179.515 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 124' ' ' THR . . . . . 0.475 HG21 HG23 ' A' ' 61' ' ' VAL . 2.7 m -72.89 -37.45 67.27 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 178.785 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . 0.88 HD13 HG12 ' A' ' 53' ' ' ILE . 2.4 mt -72.62 -32.75 66.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.438 178.448 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . 0.938 HD12 ' HA ' ' B' ' 123' ' ' HIS . 10.5 mt -72.22 -48.71 40.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.935 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -62.87 -53.29 56.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.059 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . 0.869 HD21 ' CD2' ' C' ' 59' ' ' TYR . 19.0 mt -61.28 -37.33 82.79 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.748 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 129' ' ' TYR . . . . . 0.522 ' O ' HD23 ' A' ' 48' ' ' LEU . 3.4 t80 -55.92 -51.03 69.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.7 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 130' ' ' ASP . . . . . 0.501 ' CG ' ' HA ' ' B' ' 82' ' ' LEU . 10.2 m-20 -76.09 -33.81 59.51 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.291 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.94 -53.91 49.46 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.064 -179.735 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 132' ' ' ILE . . . . . 0.81 HG21 HD13 ' C' ' 48' ' ' LEU . 2.3 mt -73.4 -38.76 53.95 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.425 0 CA-C-O 121.048 0.451 . . . . 0.0 110.685 179.644 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 133' ' ' ASN . . . . . 0.462 ' HB2' HD23 ' A' ' 48' ' ' LEU . 20.7 t-20 -59.91 -29.53 68.42 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.88 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 134' ' ' THR . . . . . 0.537 HG22 ' O ' ' B' ' 134' ' ' THR . 85.5 m -89.72 3.5 52.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.323 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 1.8 mmtt 76.55 -0.16 3.09 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.64 -0.254 . . . . 0.0 111.494 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--N 1.328 -0.344 0 CA-C-O 120.815 0.34 . . . . 0.0 110.754 -179.993 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 7' ' ' ARG . . . . . 0.474 ' HA ' ' OD2' ' C' ' 10' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 110.217 -0.29 . . . . 0.0 110.217 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.51 -33.24 74.5 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-O 120.989 0.423 . . . . 0.0 110.148 179.177 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 58.5 mm-40 -77.24 -32.53 55.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.698 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 10' ' ' ASP . . . . . 0.478 ' OD1' ' N ' ' C' ' 11' ' ' THR . 11.1 p30 -80.96 -28.25 35.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.115 0.483 . . . . 0.0 109.877 179.15 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 11' ' ' THR . . . . . 0.642 HG23 ' CE2' ' C' ' 44' ' ' PHE . 65.1 m -68.93 -47.05 66.7 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.184 179.256 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.45 -46.71 72.27 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-O 120.971 0.415 . . . . 0.0 110.27 179.345 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 16.8 tpp85 -64.24 -24.03 67.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.174 179.187 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 14' ' ' ALA . . . . . 0.77 ' CB ' HG11 ' D' ' 116' ' ' VAL . . . -78.19 -55.99 4.82 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 179.094 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 15' ' ' LEU . . . . . 0.836 ' HA ' HD12 ' C' ' 18' ' ' LEU . 0.4 OUTLIER -63.84 -28.16 69.67 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.468 178.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 16' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -67.43 -46.66 72.49 Favored 'General case' 0 CA--C 1.517 -0.322 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 178.422 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . 0.931 HD22 ' CZ ' ' C' ' 21' ' ' TYR . 2.4 mt -63.96 -35.14 79.7 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.183 178.272 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . 0.836 HD12 ' HA ' ' C' ' 15' ' ' LEU . 36.4 mt -63.81 -44.24 93.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.484 179.375 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.54 -38.58 84.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.792 -179.745 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -75.76 -34.54 60.26 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.45 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 21' ' ' TYR . . . . . 0.931 ' CZ ' HD22 ' C' ' 17' ' ' LEU . 18.7 m-85 -69.84 -47.67 61.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.563 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 22' ' ' ARG . . . . . 0.445 ' HB2' ' HG3' ' C' ' 34' ' ' ARG . 20.9 ptt85 -58.69 -48.1 82.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.344 179.478 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 40.5 t -54.84 -40.67 69.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.823 179.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 24' ' ' LYS . . . . . . . . . . . . . 8.8 ptmt -96.88 6.26 48.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.606 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 25' ' ' LEU . . . . . 0.796 HD11 HG12 ' D' ' 99' ' ' ILE . 0.2 OUTLIER -91.85 -56.8 2.95 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -179.174 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . 0.68 ' HB2' ' HD2' ' C' ' 31' ' ' ARG . 80.9 p -63.75 -28.37 69.83 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.181 -0.463 . . . . 0.0 112.179 -178.387 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 27' ' ' GLN . . . . . 0.441 ' OE1' ' NH1' ' C' ' 31' ' ' ARG . 0.3 OUTLIER -70.48 56.4 0.17 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.972 0.415 . . . . 0.0 111.57 -178.802 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 28' ' ' THR . . . . . 0.671 HG23 ' H ' ' C' ' 29' ' ' GLU . 9.1 t -177.23 -61.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.511 179.454 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 29' ' ' GLU . . . . . 0.671 ' H ' HG23 ' C' ' 28' ' ' THR . 12.8 pt-20 -177.63 28.76 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.565 -179.387 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 30' ' ' ASP . . . . . 0.491 ' HB2' HD22 ' C' ' 25' ' ' LEU . 4.2 m-20 -136.69 49.55 2.06 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.915 0.388 . . . . 0.0 110.405 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . 0.68 ' HD2' ' HB2' ' C' ' 26' ' ' SER . 14.1 mmm180 -65.59 -47.35 76.05 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.456 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -59.45 -45.75 90.72 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.21 0.529 . . . . 0.0 109.776 178.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 33' ' ' LEU . . . . . 0.808 HD11 ' OG ' ' D' ' 95' ' ' SER . 13.2 tp -58.61 -32.22 68.79 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.325 179.269 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 34' ' ' ARG . . . . . 0.63 ' HB2' ' HB3' ' C' ' 26' ' ' SER . 9.6 ttt180 -63.39 -38.95 93.11 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.798 -0.815 . . . . 0.0 108.798 178.442 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 21.0 t -59.89 -40.63 89.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.31 178.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 36' ' ' SER . . . . . 0.6 ' HB3' ' NE2' ' D' ' 91' ' ' GLN . 0.1 OUTLIER -64.33 -51.27 64.24 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.103 0.478 . . . . 0.0 110.247 179.38 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 37' ' ' ILE . . . . . 0.792 ' CD1' HD12 ' C' ' 25' ' ' LEU . 58.4 mt -57.62 -37.47 58.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.392 0.615 . . . . 0.0 109.736 178.618 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -61.4 -52.24 65.42 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.012 -0.994 . . . . 0.0 112.733 -179.08 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 39' ' ' ARG . . . . . 0.528 ' HG2' ' O ' ' C' ' 36' ' ' SER . 6.9 ptp180 -58.45 -39.54 80.15 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.12 -0.632 . . . . 0.0 110.394 -179.359 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . 0.442 HG21 HG21 ' D' ' 92' ' ' VAL . 61.8 t -60.76 -36.15 69.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 121.036 0.446 . . . . 0.0 109.88 178.065 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 41' ' ' ILE . . . . . 0.716 HG12 ' O ' ' C' ' 37' ' ' ILE . 19.3 mm -61.27 -61.62 1.5 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.695 179.788 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 11.7 t -52.62 -46.66 67.12 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-O 121.113 0.482 . . . . 0.0 110.646 -179.21 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 43' ' ' ILE . . . . . 0.659 HG21 HD23 ' D' ' 126' ' ' LEU . 5.5 mt -61.06 -34.14 58.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.007 179.061 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 44' ' ' PHE . . . . . 0.807 ' HB3' HD22 ' C' ' 15' ' ' LEU . 1.3 m-85 -72.33 -56.52 5.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.931 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 45' ' ' GLN . . . . . 0.402 ' HG2' ' O ' ' C' ' 41' ' ' ILE . 4.9 pt20 -79.77 0.25 31.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.846 -179.16 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 46' ' ' SER . . . . . 0.414 ' OG ' ' CZ ' ' D' ' 129' ' ' TYR . 0.3 OUTLIER -51.81 139.48 21.59 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.83 0.348 . . . . 0.0 110.995 -179.872 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.03 -37.72 74.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.409 -179.563 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . 0.81 HD13 HG21 ' B' ' 132' ' ' ILE . 3.1 tp -79.09 -41.81 27.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.267 -179.631 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 49' ' ' PHE . . . . . 0.429 ' CE1' ' HB2' ' D' ' 125' ' ' LEU . 75.9 t80 -51.21 -53.66 32.91 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.836 0.351 . . . . 0.0 111.14 -179.735 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -57.6 -37.05 72.59 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.511 179.621 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.71 -42.3 88.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.168 179.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 52' ' ' LEU . . . . . 0.549 HD21 ' HB3' ' D' ' 128' ' ' LEU . 0.9 OUTLIER -62.28 -43.69 98.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.956 179.058 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 18.7 mt -53.16 -40.86 40.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.499 179.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -68.55 -36.38 78.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.339 179.23 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 55' ' ' ILE . . . . . 0.65 HG22 ' HB2' ' C' ' 59' ' ' TYR . 76.1 mt -60.51 -44.1 95.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.632 179.508 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 56' ' ' GLN . . . . . 0.525 ' CD ' HD21 ' D' ' 125' ' ' LEU . 5.6 mt-30 -53.07 -23.55 7.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.502 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 57' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -47.27 -31.0 3.42 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.431 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 58' ' ' PHE . . . . . 0.416 ' CG ' ' HB2' ' A' ' 65' ' ' ASP . 61.9 m-85 -157.36 24.23 0.3 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.65 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 59' ' ' TYR . . . . . 0.869 ' CD2' HD21 ' B' ' 128' ' ' LEU . 16.8 m-85 -134.16 73.83 1.51 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.812 0.339 . . . . 0.0 110.724 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -61.62 98.81 0.1 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.795 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 61' ' ' VAL . . . . . 0.471 HG11 HD11 ' D' ' 128' ' ' LEU . 0.0 OUTLIER -72.77 100.14 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.885 0.374 . . . . 0.0 111.057 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 62' ' ' THR . . . . . . . . . . . . . 4.3 m -84.71 117.0 23.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.585 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 63' ' ' LEU . . . . . 0.546 HD11 ' CZ ' ' A' ' 59' ' ' TYR . 0.1 OUTLIER -91.82 129.66 37.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 64' ' ' LEU . . . . . 0.712 HD23 ' N ' ' C' ' 64' ' ' LEU . 0.1 OUTLIER -112.04 -27.3 8.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.011 -179.915 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 65' ' ' ASP . . . . . 0.418 ' HB2' ' CB ' ' A' ' 58' ' ' PHE . 3.3 t0 -69.79 -12.15 61.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.149 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 66' ' ' ASN . . . . . . . . . . . . . 9.9 p-10 . . . . . 0 C--N 1.332 -0.163 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.104 -179.85 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 81' ' ' GLY . . . . . 0.795 ' O ' ' HB2' ' D' ' 85' ' ' ALA . . . . . . . . 0 N--CA 1.448 -0.508 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 82' ' ' LEU . . . . . 0.736 HD21 ' HG2' ' D' ' 131' ' ' LYS . 1.1 mp -93.48 -35.86 12.74 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 178.396 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 83' ' ' LEU . . . . . 0.806 HD23 ' H ' ' D' ' 84' ' ' ALA . 0.7 OUTLIER -59.94 -36.6 77.42 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 114.817 -1.083 . . . . 0.0 110.462 179.398 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' D' D ' 84' ' ' ALA . . . . . 0.946 ' HB1' ' HB2' ' D' ' 88' ' ' ALA . . . -115.31 2.01 13.89 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.303 -0.862 . . . . 0.0 112.653 -177.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 85' ' ' ALA . . . . . 0.905 ' HB1' ' HB2' ' D' ' 126' ' ' LEU . . . -53.17 -26.11 16.07 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 177.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 86' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -118.72 -37.13 3.32 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 114.683 -1.144 . . . . 0.0 109.039 177.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 87' ' ' ARG . . . . . 0.792 ' HB2' ' HA ' ' D' ' 84' ' ' ALA . 0.1 OUTLIER -60.85 -57.1 14.08 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.043 178.896 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' D' D ' 88' ' ' ALA . . . . . 0.946 ' HB2' ' HB1' ' D' ' 84' ' ' ALA . . . -56.58 -42.36 78.52 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.697 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 89' ' ' VAL . . . . . 0.701 HG13 ' CD1' ' D' ' 117' ' ' PHE . 34.2 t -64.11 -32.48 57.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.104 179.065 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 8.5 p -76.45 -26.77 55.78 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.91 179.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 91' ' ' GLN . . . . . 0.656 ' HG3' ' O ' ' D' ' 87' ' ' ARG . 9.0 mt-30 -65.87 -55.02 19.19 Favored 'General case' 0 CA--C 1.513 -0.472 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 179.112 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 92' ' ' VAL . . . . . 0.764 HG11 ' CD2' ' C' ' 18' ' ' LEU . 3.5 t -66.07 -28.46 43.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.036 -0.983 . . . . 0.0 110.239 179.436 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 93' ' ' LEU . . . . . 0.589 HD21 ' HA ' ' D' ' 114' ' ' HIS . 1.2 mt -73.47 -26.78 61.07 Favored 'General case' 0 C--O 1.23 0.077 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.301 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -87.14 -43.55 12.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.858 0.361 . . . . 0.0 110.859 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 95' ' ' SER . . . . . 0.808 ' OG ' HD11 ' C' ' 33' ' ' LEU . 8.9 p -80.07 -13.18 59.5 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.899 -179.667 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 96' ' ' LEU . . . . . 0.869 HD22 HD22 ' D' ' 110' ' ' LEU . 0.2 OUTLIER -40.4 -52.24 2.75 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -179.178 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -68.69 -28.11 66.56 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.126 -179.345 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 98' ' ' GLU . . . . . 0.794 ' OE2' HD21 ' D' ' 102' ' ' LEU . 0.0 OUTLIER -70.96 -36.16 72.45 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.861 -1.162 . . . . 0.0 107.861 178.118 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' D' D ' 99' ' ' ILE . . . . . 0.796 HG12 HD11 ' C' ' 25' ' ' LEU . 72.4 mt -59.24 -49.21 84.27 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.683 0 CA-C-N 114.6 -1.182 . . . . 0.0 109.646 178.364 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 100' ' ' HIS . . . . . 0.806 ' HB2' HD11 ' D' ' 110' ' ' LEU . 1.9 t-160 -57.51 -35.98 70.95 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 178.652 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 101' ' ' ALA . . . . . 0.768 ' HB3' ' O ' ' D' ' 98' ' ' GLU . . . -54.69 -43.58 72.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 114.471 -1.24 . . . . 0.0 111.945 179.446 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 102' ' ' LEU . . . . . 0.794 HD21 ' OE2' ' D' ' 98' ' ' GLU . 0.3 OUTLIER -118.18 31.77 6.51 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.673 -0.694 . . . . 0.0 112.628 -177.497 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' D' D ' 103' ' ' THR . . . . . 0.63 HG23 HD12 ' D' ' 102' ' ' LEU . 35.1 p -148.71 -29.16 0.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 4.5 t70 75.84 21.8 1.57 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.171 0.51 . . . . 0.0 110.497 -179.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 105' ' ' SER . . . . . 0.461 ' CB ' ' CE1' ' C' ' 21' ' ' TYR . 37.4 p -56.73 -22.9 38.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.012 179.476 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 106' ' ' SER . . . . . . . . . . . . . 1.1 t 80.35 123.51 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.437 -179.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -51.84 -24.18 5.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.198 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 30.5 mmtm -60.05 -55.31 35.5 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.979 0.418 . . . . 0.0 110.235 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 109' ' ' ASP . . . . . 0.659 ' O ' HD12 ' D' ' 113' ' ' LEU . 6.9 m-20 -63.22 -34.6 78.01 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.774 179.03 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 110' ' ' LEU . . . . . 0.869 HD22 HD22 ' D' ' 96' ' ' LEU . 46.8 mt -64.98 -42.54 94.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.287 179.296 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 111' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.3 -44.83 92.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.638 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 112' ' ' PHE . . . . . 0.409 ' O ' HG23 ' D' ' 116' ' ' VAL . 0.4 OUTLIER -58.98 -47.3 85.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.389 179.751 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' D' D ' 113' ' ' LEU . . . . . 0.691 HD11 ' CD1' ' C' ' 17' ' ' LEU . 0.5 OUTLIER -69.28 -33.88 73.87 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.179 179.687 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' D' D ' 114' ' ' HIS . . . . . 0.759 ' CD2' HD12 ' D' ' 96' ' ' LEU . 6.6 m-70 -54.99 -40.16 69.81 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 178.703 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 115' ' ' SER . . . . . 0.477 ' HA ' ' HB2' ' D' ' 118' ' ' GLN . 8.4 p -73.48 -36.81 65.86 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.617 178.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 116' ' ' VAL . . . . . 0.823 ' O ' HD22 ' D' ' 122' ' ' LEU . 40.9 t -56.43 -24.78 19.33 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.135 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.645 178.586 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 117' ' ' PHE . . . . . 0.811 ' HZ ' HD11 ' C' ' 18' ' ' LEU . 50.9 m-85 -105.53 -19.97 13.62 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.106 179.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 118' ' ' GLN . . . . . 0.543 HE22 HD13 ' D' ' 93' ' ' LEU . 6.5 mm-40 -62.44 -41.35 98.67 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.944 0.402 . . . . 0.0 110.551 179.619 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -45.32 133.3 7.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.945 -179.091 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 120' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -77.03 -42.24 39.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.259 179.425 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 121' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -55.73 -33.43 64.23 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.426 179.323 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 122' ' ' LEU . . . . . 0.908 ' O ' HD12 ' D' ' 126' ' ' LEU . 25.0 tp -55.66 -50.05 71.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.047 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 123' ' ' HIS . . . . . 0.451 ' HA ' HD13 ' D' ' 126' ' ' LEU . 0.0 OUTLIER -52.1 -26.74 11.86 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.225 179.026 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' D' D ' 124' ' ' THR . . . . . 0.424 ' N ' ' CD2' ' D' ' 123' ' ' HIS . 7.1 m -75.7 -35.34 60.32 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.734 179.232 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 125' ' ' LEU . . . . . 0.525 HD21 ' CD ' ' C' ' 56' ' ' GLN . 16.4 mt -63.36 -45.19 92.3 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.684 179.518 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 126' ' ' LEU . . . . . 0.908 HD12 ' O ' ' D' ' 122' ' ' LEU . 3.3 mp -67.81 -45.47 74.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.168 -179.71 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 127' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -63.37 -49.0 75.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.214 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 128' ' ' LEU . . . . . 0.868 HD21 ' CD2' ' A' ' 59' ' ' TYR . 76.6 mt -60.92 -46.7 89.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.92 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 129' ' ' TYR . . . . . 0.483 ' O ' HD23 ' C' ' 48' ' ' LEU . 0.1 OUTLIER -58.39 -50.74 72.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.154 -179.627 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' D' D ' 130' ' ' ASP . . . . . 0.405 ' OD1' ' CE2' ' D' ' 129' ' ' TYR . 47.3 m-20 -74.04 -17.0 61.03 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.168 -179.754 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 131' ' ' LYS . . . . . 0.736 ' HG2' HD21 ' D' ' 82' ' ' LEU . 0.2 OUTLIER -75.1 -46.14 36.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.909 0.385 . . . . 0.0 110.473 179.422 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' D' D ' 132' ' ' ILE . . . . . 0.556 HG23 ' CB ' ' A' ' 51' ' ' ALA . 2.8 mt -75.47 -35.34 32.17 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.899 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 133' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -72.51 -25.4 61.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.543 -179.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 134' ' ' THR . . . . . . . . . . . . . 98.5 m -90.66 -28.65 18.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.842 0.353 . . . . 0.0 110.887 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.81 -32.56 35.24 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.149 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 136' ' ' SER . . . . . . . . . . . . . 50.1 m . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.949 179.822 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.196 0 CA-C-O 120.35 0.119 . . . . 0.0 110.698 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -66.19 -35.78 81.34 Favored 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 109.597 -0.519 . . . . 0.0 109.597 179.17 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -74.75 -26.03 59.5 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.629 178.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.697 ' HB3' HG22 ' B' ' 116' ' ' VAL . 37.1 m-20 -83.31 -34.37 25.72 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.328 179.302 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.575 HG22 ' HE1' ' A' ' 44' ' ' PHE . 1.4 p -74.28 -36.42 63.8 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.961 179.303 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.5 ' O ' ' HB2' ' A' ' 16' ' ' HIS . 0.7 OUTLIER -72.86 -46.65 51.72 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.199 179.288 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 -67.82 -23.08 65.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.183 179.207 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.772 ' CB ' HG11 ' B' ' 116' ' ' VAL . . . -78.49 -52.16 8.93 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.05 179.315 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.82 HD22 ' HB3' ' A' ' 44' ' ' PHE . 0.6 OUTLIER -68.49 -24.67 64.71 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.121 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.5 ' HB2' ' O ' ' A' ' 12' ' ' GLN . 1.9 t-160 -73.31 -50.82 20.07 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 178.139 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.891 HD22 ' CE1' ' A' ' 21' ' ' TYR . 0.9 OUTLIER -55.66 -37.63 68.53 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 121.764 0.792 . . . . 0.0 109.01 178.096 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 1.031 HD22 HG23 ' A' ' 37' ' ' ILE . 32.9 mt -61.17 -48.53 81.16 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.474 -1.239 . . . . 0.0 110.798 179.468 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.468 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 0.4 OUTLIER -57.37 -33.65 68.03 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.798 -179.912 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -76.8 -39.51 51.24 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.114 179.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.891 ' CE1' HD22 ' A' ' 17' ' ' LEU . 13.7 m-30 -64.85 -47.26 78.58 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.76 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.499 ' HB2' ' CG ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -58.94 -51.08 71.56 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.686 179.695 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.425 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 1.6 p -55.46 -32.58 62.9 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.149 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.5 ptmt -102.5 4.9 39.11 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.556 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.984 HD12 HD11 ' A' ' 37' ' ' ILE . 0.6 OUTLIER -93.35 -63.77 1.17 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.022 0.439 . . . . 0.0 112.085 -179.418 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.677 ' HB2' ' HD2' ' A' ' 31' ' ' ARG . 38.0 p -57.49 -18.16 17.34 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.869 -0.605 . . . . 0.0 112.298 -178.488 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.425 ' HG2' ' O ' ' A' ' 23' ' ' SER . 1.2 mm100 -77.83 49.62 0.79 Allowed 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.782 -0.367 . . . . 0.0 111.661 -179.239 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.48 ' CG2' ' N ' ' A' ' 29' ' ' GLU . 0.9 OUTLIER -176.58 -54.71 0.01 OUTLIER 'General case' 0 CA--C 1.528 0.132 0 N-CA-C 111.687 0.254 . . . . 0.0 111.687 179.288 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.48 ' N ' ' CG2' ' A' ' 28' ' ' THR . 7.6 pt-20 -179.3 27.08 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.772 0.32 . . . . 0.0 111.687 -179.668 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.548 ' CB ' HD22 ' A' ' 25' ' ' LEU . 6.6 m-20 -131.92 47.88 2.48 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.929 0.395 . . . . 0.0 110.748 -179.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.677 ' HD2' ' HB2' ' A' ' 26' ' ' SER . 21.2 mmm180 -64.9 -50.07 67.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.415 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -59.88 -46.98 87.6 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.268 0.556 . . . . 0.0 109.856 178.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.707 HD21 ' HB3' ' B' ' 95' ' ' SER . 8.5 tp -55.92 -36.51 67.81 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.452 179.221 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.647 ' HA ' HD12 ' A' ' 37' ' ' ILE . 10.5 ttt180 -60.35 -42.65 96.19 Favored 'General case' 0 CA--C 1.518 -0.261 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 179.118 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.0 t -59.25 -35.3 73.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.902 178.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.73 ' HB3' ' NE2' ' B' ' 91' ' ' GLN . 38.2 m -66.45 -51.27 58.67 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-O 121.258 0.551 . . . . 0.0 110.428 179.339 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 1.031 HG23 HD22 ' A' ' 18' ' ' LEU . 6.1 mt -59.46 -40.89 82.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.91 -0.587 . . . . 0.0 109.593 179.076 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.15 -52.14 66.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 114.987 -1.006 . . . . 0.0 111.86 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.595 ' HD2' HE22 ' B' ' 91' ' ' GLN . 3.8 ptp180 -56.74 -38.01 71.81 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 120.36 -0.536 . . . . 0.0 110.326 -179.755 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.723 HG12 ' CD2' ' A' ' 44' ' ' PHE . 95.6 t -64.43 -31.25 52.78 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 178.357 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.797 HD11 ' CB ' ' A' ' 18' ' ' LEU . 30.4 mm -65.49 -61.83 1.52 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.199 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.04 179.496 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.4 p -52.66 -47.04 67.41 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-O 121.038 0.447 . . . . 0.0 110.4 -179.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.577 HG23 ' CE2' ' B' ' 129' ' ' TYR . 24.5 mt -60.59 -32.59 51.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.721 178.71 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.82 ' HB3' HD22 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -72.86 -59.59 2.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.893 179.614 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -80.55 1.1 30.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.937 -178.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -47.54 170.14 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.824 0.345 . . . . 0.0 111.523 -179.619 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -83.15 -36.75 24.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 -179.741 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.766 HD12 ' HA ' ' B' ' 129' ' ' TYR . 0.3 OUTLIER -76.34 -44.54 36.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.495 179.782 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.567 ' CE1' HD23 ' B' ' 126' ' ' LEU . 11.0 t80 -51.2 -56.57 12.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.514 -179.397 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 90.5 mm-40 -53.21 -40.62 64.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.906 0.384 . . . . 0.0 110.722 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.43 -48.79 80.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.688 179.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.623 HD13 ' O ' ' B' ' 125' ' ' LEU . 4.0 mt -60.26 -47.28 86.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.571 179.643 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.623 HG12 HD13 ' B' ' 125' ' ' LEU . 47.7 mt -53.41 -34.94 23.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.49 179.448 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -73.24 -32.42 64.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.271 179.217 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.5 HG22 ' HB2' ' A' ' 59' ' ' TYR . 58.2 mt -70.33 -43.75 78.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.22 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.4 -20.54 4.7 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.737 -179.558 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.408 ' O ' ' CG ' ' A' ' 58' ' ' PHE . 24.7 pt-20 -43.59 -36.43 2.1 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.775 0.321 . . . . 0.0 111.421 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.548 ' CG ' ' HB2' ' C' ' 65' ' ' ASP . 68.0 m-85 -158.09 36.56 0.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.25 -179.786 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.959 ' CD2' HD21 ' D' ' 128' ' ' LEU . 15.2 m-85 -132.56 70.09 1.47 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.597 179.791 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.407 ' HB2' ' HB ' ' C' ' 62' ' ' THR . 5.9 mm-40 -55.51 90.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.975 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.578 HG23 HG21 ' B' ' 124' ' ' THR . 0.0 OUTLIER -72.84 98.13 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.007 0.432 . . . . 0.0 110.924 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.425 ' HB ' ' HB2' ' C' ' 60' ' ' GLU . 4.3 m -78.98 120.09 23.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.611 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.464 ' CD1' ' CE2' ' C' ' 59' ' ' TYR . 0.2 OUTLIER -94.17 125.46 38.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.813 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.665 ' N ' HD23 ' A' ' 64' ' ' LEU . 0.1 OUTLIER -105.77 -28.94 10.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 -179.938 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.452 ' CB ' ' CD1' ' C' ' 58' ' ' PHE . 8.3 t0 -158.08 -76.97 0.08 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.21 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.13 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.4 0 N-CA-C 110.14 -1.184 . . . . 0.0 110.14 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.498 HD12 ' HB3' ' B' ' 130' ' ' ASP . 8.9 tt -100.43 -29.77 12.2 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 114.627 -0.787 . . . . 0.0 109.502 179.02 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . 0.961 HD23 ' H ' ' B' ' 84' ' ' ALA . 0.3 OUTLIER -84.97 -46.15 11.51 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.133 -0.939 . . . . 0.0 110.938 -179.827 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.961 ' H ' HD23 ' B' ' 83' ' ' LEU . . . -70.36 -29.23 65.86 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.965 -178.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 85' ' ' ALA . . . . . 0.664 ' HB1' ' HB3' ' B' ' 126' ' ' LEU . . . -53.11 -26.61 17.07 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.016 0.436 . . . . 0.0 110.352 179.734 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -118.47 -40.62 2.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.832 178.729 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 87' ' ' ARG . . . . . 0.68 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 26.6 ttt85 -65.55 -50.27 65.81 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.159 179.18 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . 0.861 ' O ' HG23 ' B' ' 92' ' ' VAL . . . -65.92 -34.7 78.72 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.374 -179.517 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 89' ' ' VAL . . . . . 0.712 HG13 ' CD2' ' B' ' 117' ' ' PHE . 76.2 t -64.36 -57.19 12.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.187 179.558 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.7 -29.08 70.07 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 178.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 91' ' ' GLN . . . . . 0.73 ' NE2' ' HB3' ' A' ' 36' ' ' SER . 3.6 tt0 -63.54 -47.88 79.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.372 -0.831 . . . . 0.0 108.973 178.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 92' ' ' VAL . . . . . 0.861 HG23 ' O ' ' B' ' 88' ' ' ALA . 21.4 t -74.63 -28.58 22.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.04 177.545 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . 0.736 ' CD1' ' HB2' ' B' ' 117' ' ' PHE . 0.7 OUTLIER -65.18 -31.29 72.4 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.703 179.05 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -80.65 -42.49 22.02 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.138 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 95' ' ' SER . . . . . 0.707 ' HB3' HD21 ' A' ' 33' ' ' LEU . 1.0 OUTLIER -79.35 -12.51 59.92 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.544 179.842 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . 0.821 HD22 HD22 ' B' ' 110' ' ' LEU . 0.2 OUTLIER -43.99 -52.23 7.17 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.846 0.355 . . . . 0.0 111.879 -179.485 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -65.95 -27.49 68.2 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.018 -179.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . 0.767 ' O ' ' HB3' ' B' ' 101' ' ' ALA . 0.2 OUTLIER -70.94 -37.11 72.84 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 178.082 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 99' ' ' ILE . . . . . 0.908 HG12 HD11 ' A' ' 25' ' ' LEU . 84.9 mt -58.55 -49.15 83.38 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.66 0 CA-C-N 114.545 -1.207 . . . . 0.0 109.817 178.452 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . 0.81 ' HB2' HD11 ' B' ' 110' ' ' LEU . 2.1 t-160 -58.01 -35.67 71.57 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 178.563 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . 0.767 ' HB3' ' O ' ' B' ' 98' ' ' GLU . . . -55.37 -42.31 73.77 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.541 -1.208 . . . . 0.0 111.857 179.507 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 102' ' ' LEU . . . . . 0.595 HD12 HG23 ' B' ' 103' ' ' THR . 0.3 OUTLIER -119.59 33.06 5.78 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 -177.473 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 103' ' ' THR . . . . . 0.595 HG23 HD12 ' B' ' 102' ' ' LEU . 40.4 p -151.29 -29.33 0.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 179.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 5.2 t70 75.37 22.65 1.64 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.083 0.468 . . . . 0.0 110.596 -179.327 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 105' ' ' SER . . . . . 0.46 ' HB3' ' CE1' ' A' ' 21' ' ' TYR . 0.1 OUTLIER -57.28 -20.0 25.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.029 179.464 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . 0.412 ' CB ' ' O ' ' B' ' 105' ' ' SER . 4.3 t 80.61 121.04 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.71 -179.762 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -49.86 -27.11 4.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.056 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 10.0 tptt -57.45 -54.52 45.95 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.04 0.447 . . . . 0.0 110.264 179.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 109' ' ' ASP . . . . . 0.635 ' O ' HD12 ' B' ' 113' ' ' LEU . 9.2 m-20 -63.46 -35.51 80.67 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.808 179.145 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 110' ' ' LEU . . . . . 0.821 HD22 HD22 ' B' ' 96' ' ' LEU . 53.1 mt -64.18 -40.7 96.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.359 179.354 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -62.21 -42.81 99.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.565 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 112' ' ' PHE . . . . . 0.4 ' CE1' ' CG2' ' B' ' 116' ' ' VAL . 2.6 t80 -59.06 -46.06 89.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.386 179.692 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 113' ' ' LEU . . . . . 0.694 HD11 ' CD1' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -72.44 -31.29 65.34 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.3 179.669 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 114' ' ' HIS . . . . . 0.51 ' HA ' HD11 ' B' ' 93' ' ' LEU . 2.1 t-80 -59.64 -36.28 76.07 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 178.138 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . 0.554 ' HA ' ' HB2' ' B' ' 118' ' ' GLN . 6.9 p -81.11 -39.99 24.77 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.482 178.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 116' ' ' VAL . . . . . 0.868 ' O ' HD22 ' B' ' 122' ' ' LEU . 10.2 t -55.95 -24.51 17.38 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 CA-C-O 121.436 0.636 . . . . 0.0 109.43 178.654 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 117' ' ' PHE . . . . . 0.856 ' HZ ' HD11 ' A' ' 18' ' ' LEU . 7.7 m-30 -98.8 -27.07 14.1 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 114.935 -1.029 . . . . 0.0 111.309 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 118' ' ' GLN . . . . . 0.554 ' HB2' ' HA ' ' B' ' 115' ' ' SER . 0.0 OUTLIER -76.73 -15.71 59.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.924 -178.127 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 -53.6 117.51 3.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.751 0.31 . . . . 0.0 111.101 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 -57.37 -43.58 83.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -60.53 -34.5 74.21 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.8 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . 0.868 HD22 ' O ' ' B' ' 116' ' ' VAL . 54.3 tp -56.13 -49.32 74.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.995 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 123' ' ' HIS . . . . . 1.006 ' HA ' HD12 ' B' ' 126' ' ' LEU . 11.7 m170 -55.71 -24.7 36.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.873 0.368 . . . . 0.0 110.202 179.379 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 124' ' ' THR . . . . . 0.578 HG21 HG23 ' A' ' 61' ' ' VAL . 2.4 m -74.94 -38.73 61.67 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 179.006 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . 0.837 HD12 HD12 ' B' ' 122' ' ' LEU . 4.1 mt -68.43 -30.8 69.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.758 178.669 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . 1.006 HD12 ' HA ' ' B' ' 123' ' ' HIS . 11.7 mt -73.22 -50.43 22.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.59 -179.447 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.56 -50.63 72.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.989 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . 0.918 HD21 ' CD2' ' C' ' 59' ' ' TYR . 2.8 mt -70.46 -29.36 65.9 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.494 179.678 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 129' ' ' TYR . . . . . 0.766 ' HA ' HD12 ' A' ' 48' ' ' LEU . 1.2 t80 -55.47 -53.45 56.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.227 -179.285 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 130' ' ' ASP . . . . . 0.498 ' HB3' HD12 ' B' ' 82' ' ' LEU . 0.4 OUTLIER -78.11 -31.41 49.97 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.596 -0.442 . . . . 0.0 111.544 179.768 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 1.4 tttp -54.28 -54.23 42.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.198 -179.47 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 132' ' ' ILE . . . . . 0.763 HD12 ' O ' ' B' ' 128' ' ' LEU . 1.5 mt -78.35 -44.43 26.81 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 CA-C-O 120.948 0.404 . . . . 0.0 110.935 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 133' ' ' ASN . . . . . . . . . . . . . 61.6 t-20 -56.46 -25.94 52.42 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.988 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 134' ' ' THR . . . . . 0.693 HG22 ' HG2' ' B' ' 135' ' ' LYS . 85.2 m -86.64 -54.61 4.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.74 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 135' ' ' LYS . . . . . 0.693 ' HG2' HG22 ' B' ' 134' ' ' THR . 0.0 OUTLIER 164.21 -21.68 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.226 179.762 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . 0.418 ' HB3' ' HA ' ' C' ' 51' ' ' ALA . 0.4 OUTLIER . . . . . 0 C--N 1.332 -0.182 0 CA-C-O 120.793 0.33 . . . . 0.0 110.786 -179.77 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 7' ' ' ARG . . . . . . . . . . . . . 9.5 ttp-105 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.259 -0.274 . . . . 0.0 110.259 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 8' ' ' LYS . . . . . 0.402 ' HD3' ' CG2' ' C' ' 53' ' ' ILE . 0.1 OUTLIER -61.66 -41.0 96.92 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 121.149 0.499 . . . . 0.0 109.941 179.302 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -77.26 -30.81 54.58 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.24 179.271 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 10' ' ' ASP . . . . . 0.45 ' HB3' HG22 ' D' ' 116' ' ' VAL . 13.2 m-20 -75.7 -29.87 59.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.263 179.535 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 3.2 p -73.21 -50.24 23.55 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.452 179.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 12' ' ' GLN . . . . . 0.519 ' HA ' HD23 ' C' ' 15' ' ' LEU . 0.6 OUTLIER -63.98 -32.97 74.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.172 179.504 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 34.8 ttt180 -75.96 -25.65 56.09 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.145 178.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 14' ' ' ALA . . . . . 0.729 ' HB1' HD23 ' D' ' 113' ' ' LEU . . . -78.25 -54.83 5.79 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.523 178.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 15' ' ' LEU . . . . . 0.753 ' HA ' HD12 ' C' ' 18' ' ' LEU . 0.4 OUTLIER -60.5 -28.78 68.64 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.787 179.289 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 16' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -73.46 -41.91 62.58 Favored 'General case' 0 CA--C 1.52 -0.186 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 179.023 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . 0.876 HD22 ' CZ ' ' C' ' 21' ' ' TYR . 1.2 mt -62.72 -48.94 77.03 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.319 179.589 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . 0.934 ' HB3' HG23 ' C' ' 37' ' ' ILE . 2.3 mt -59.93 -37.01 78.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.468 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.34 -46.28 90.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.009 0.433 . . . . 0.0 110.722 179.628 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.73 -31.27 68.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.199 179.612 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 21' ' ' TYR . . . . . 0.876 ' CZ ' HD22 ' C' ' 17' ' ' LEU . 14.4 m-85 -70.79 -43.92 67.7 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.651 179.38 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 22' ' ' ARG . . . . . 0.58 ' HB2' HG21 ' C' ' 37' ' ' ILE . 3.5 ttt180 -54.18 -48.39 71.0 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.374 179.659 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 98.5 p -58.77 -45.47 89.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.011 179.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 24' ' ' LYS . . . . . 0.535 ' O ' HG22 ' D' ' 103' ' ' THR . 12.2 ptmt -93.27 12.35 24.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.932 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 25' ' ' LEU . . . . . 0.879 HD12 HD11 ' C' ' 37' ' ' ILE . 0.0 OUTLIER -116.12 -77.24 0.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.834 0.35 . . . . 0.0 111.411 -179.193 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . 0.461 ' N ' HD22 ' C' ' 25' ' ' LEU . 4.1 m -56.38 -19.32 14.24 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.07 -0.514 . . . . 0.0 112.213 -178.507 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 27' ' ' GLN . . . . . 0.435 ' OE1' ' NH1' ' C' ' 31' ' ' ARG . 0.8 OUTLIER -77.46 57.79 1.6 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.86 0.362 . . . . 0.0 111.366 -179.577 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 28' ' ' THR . . . . . 0.457 HG23 ' N ' ' C' ' 29' ' ' GLU . 3.6 t -173.47 -51.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.534 179.604 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 29' ' ' GLU . . . . . 0.457 ' N ' HG23 ' C' ' 28' ' ' THR . 19.9 pt-20 -170.79 27.06 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.664 -179.733 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 30' ' ' ASP . . . . . 0.692 ' OD2' HD23 ' C' ' 33' ' ' LEU . 2.1 m-20 -138.69 46.51 1.99 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.907 0.384 . . . . 0.0 111.128 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . 0.435 ' NH1' ' OE1' ' C' ' 27' ' ' GLN . 26.8 mmm180 -55.49 -45.68 77.01 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.101 0.477 . . . . 0.0 110.301 179.601 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 27.6 tp60 -58.24 -42.81 87.19 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 178.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 33' ' ' LEU . . . . . 0.776 ' HG ' HD11 ' C' ' 25' ' ' LEU . 0.0 OUTLIER -57.62 -31.98 66.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.219 178.385 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 34' ' ' ARG . . . . . 0.458 ' HB2' ' CB ' ' C' ' 26' ' ' SER . 0.0 OUTLIER -60.53 -52.46 65.09 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.879 179.067 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 1.1 t -55.5 -34.22 64.41 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.347 179.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 36' ' ' SER . . . . . 0.718 ' HB2' HG22 ' D' ' 92' ' ' VAL . 0.8 OUTLIER -67.69 -51.97 43.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.53 179.447 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 37' ' ' ILE . . . . . 0.934 HG23 ' HB3' ' C' ' 18' ' ' LEU . 57.4 mt -60.43 -41.74 88.59 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 179.067 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -54.95 -43.34 73.33 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.234 179.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 39' ' ' ARG . . . . . 0.415 ' HB3' ' CB ' ' D' ' 88' ' ' ALA . 6.5 mtt180 -57.1 -50.9 71.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.807 178.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . 0.602 ' O ' ' HB2' ' C' ' 44' ' ' PHE . 9.8 t -60.48 -30.96 47.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.708 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 41' ' ' ILE . . . . . 0.67 HD12 ' O ' ' C' ' 15' ' ' LEU . 4.9 mm -70.5 -52.98 24.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 C-N-CA 120.964 -0.295 . . . . 0.0 111.283 179.759 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 6.3 p -66.31 -47.78 72.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.827 0.346 . . . . 0.0 111.221 -179.145 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 43' ' ' ILE . . . . . 0.779 HG23 ' CE2' ' D' ' 129' ' ' TYR . 9.6 mt -59.87 -34.43 55.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.367 179.681 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 44' ' ' PHE . . . . . 0.652 ' HB3' HD22 ' C' ' 15' ' ' LEU . 2.9 m-85 -72.94 -54.85 7.59 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.999 179.536 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 45' ' ' GLN . . . . . 0.435 ' NE2' HG22 ' C' ' 41' ' ' ILE . 3.1 pt20 -79.32 -9.4 59.57 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.67 0.618 . . . . 0.0 112.67 -178.062 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 46' ' ' SER . . . . . 0.438 ' OG ' ' HB2' ' C' ' 49' ' ' PHE . 7.6 p -47.63 133.47 13.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.952 0.406 . . . . 0.0 111.128 -179.551 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -50.56 -26.04 4.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.741 -179.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . 0.81 HD21 ' HB ' ' D' ' 132' ' ' ILE . 0.4 OUTLIER -79.61 -46.75 16.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.882 0.373 . . . . 0.0 110.562 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 49' ' ' PHE . . . . . 0.75 ' CE2' HD11 ' C' ' 53' ' ' ILE . 56.8 t80 -50.64 -56.14 13.22 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.347 -179.236 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 78.4 mm-40 -56.07 -38.54 70.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.008 0.433 . . . . 0.0 110.444 179.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 51' ' ' ALA . . . . . 0.418 ' HA ' ' HB3' ' B' ' 136' ' ' SER . . . -59.29 -47.12 86.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.513 179.606 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 52' ' ' LEU . . . . . 0.619 HD13 ' O ' ' D' ' 125' ' ' LEU . 3.3 mt -61.19 -45.96 92.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.327 179.593 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 53' ' ' ILE . . . . . 0.75 HD11 ' CE2' ' C' ' 49' ' ' PHE . 19.4 mt -54.67 -33.51 27.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.378 179.357 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -72.87 -34.85 66.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.423 179.355 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 55' ' ' ILE . . . . . 0.739 HD11 ' CG1' ' B' ' 132' ' ' ILE . 69.8 mt -68.43 -51.41 47.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.894 179.749 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 56' ' ' GLN . . . . . 0.441 ' OE1' HD21 ' D' ' 125' ' ' LEU . 11.1 pt20 -52.22 -23.52 5.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.38 -179.688 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 57' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -48.28 -30.68 5.05 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.819 0.342 . . . . 0.0 110.933 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 58' ' ' PHE . . . . . 0.452 ' CD1' ' CB ' ' A' ' 65' ' ' ASP . 52.0 m-85 -152.56 23.53 0.61 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.303 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 59' ' ' TYR . . . . . 0.918 ' CD2' HD21 ' B' ' 128' ' ' LEU . 52.3 m-85 -134.0 71.3 1.45 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.457 179.619 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 60' ' ' GLU . . . . . 0.425 ' HB2' ' HB ' ' A' ' 62' ' ' THR . 0.2 OUTLIER -55.23 96.88 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.056 -179.658 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 61' ' ' VAL . . . . . 0.598 HG23 HG21 ' D' ' 124' ' ' THR . 0.0 OUTLIER -78.46 97.08 2.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.076 179.761 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 62' ' ' THR . . . . . 0.407 ' HB ' ' HB2' ' A' ' 60' ' ' GLU . 5.1 m -87.62 118.0 26.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.594 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 63' ' ' LEU . . . . . 0.756 HD22 ' HB3' ' C' ' 66' ' ' ASN . 0.1 OUTLIER -91.25 133.91 35.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.832 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 64' ' ' LEU . . . . . 0.738 HD23 ' N ' ' C' ' 64' ' ' LEU . 0.1 OUTLIER -118.66 -21.38 7.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.531 -179.834 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 65' ' ' ASP . . . . . 0.548 ' HB2' ' CG ' ' A' ' 58' ' ' PHE . 38.8 t70 -115.04 15.47 17.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.884 0.373 . . . . 0.0 111.236 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 66' ' ' ASN . . . . . 0.756 ' HB3' HD22 ' C' ' 63' ' ' LEU . 3.7 p-10 . . . . . 0 C--N 1.327 -0.381 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.155 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 N-CA-C 109.6 -1.4 . . . . 0.0 109.6 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 82' ' ' LEU . . . . . 0.589 HD23 ' O ' ' D' ' 82' ' ' LEU . 7.8 tt -98.71 -21.33 16.46 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 114.295 -0.952 . . . . 0.0 109.435 178.502 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 83' ' ' LEU . . . . . 1.033 HD23 ' H ' ' D' ' 84' ' ' ALA . 0.3 OUTLIER -82.43 -47.6 12.06 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.228 -179.132 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' D' D ' 84' ' ' ALA . . . . . 1.033 ' H ' HD23 ' D' ' 83' ' ' LEU . . . -70.92 -26.0 63.01 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.448 -178.707 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 85' ' ' ALA . . . . . 0.9 ' HB1' ' HB3' ' D' ' 126' ' ' LEU . . . -52.85 -25.99 13.28 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.074 0.464 . . . . 0.0 110.143 179.456 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 86' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -122.12 -41.77 2.41 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.866 178.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 87' ' ' ARG . . . . . 0.672 ' HB3' ' O ' ' D' ' 83' ' ' LEU . 21.2 ttt-85 -63.23 -44.9 93.94 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.328 179.272 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 88' ' ' ALA . . . . . 0.717 ' HB3' ' O ' ' D' ' 84' ' ' ALA . . . -68.74 -41.97 78.24 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.02 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 89' ' ' VAL . . . . . 0.763 HG13 ' CD1' ' D' ' 117' ' ' PHE . 41.8 t -68.52 -38.58 79.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.892 179.589 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 6.6 t -76.28 -39.88 53.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.341 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 91' ' ' GLN . . . . . 0.456 ' HG3' ' HB3' ' C' ' 36' ' ' SER . 5.7 pt20 -67.08 -46.44 74.27 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 92' ' ' VAL . . . . . 0.718 HG22 ' HB2' ' C' ' 36' ' ' SER . 59.5 t -68.69 -27.83 37.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.438 178.173 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 93' ' ' LEU . . . . . 0.744 HD21 ' HA ' ' D' ' 114' ' ' HIS . 2.5 mt -63.05 -40.42 97.64 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.922 179.376 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -81.11 -27.03 35.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.073 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 95' ' ' SER . . . . . 0.774 ' HB3' HD21 ' C' ' 33' ' ' LEU . 24.2 m -79.25 -23.09 43.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.337 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 96' ' ' LEU . . . . . 0.62 HD22 HD22 ' D' ' 110' ' ' LEU . 0.6 OUTLIER -40.26 -52.81 2.62 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.9 0.381 . . . . 0.0 111.889 -179.692 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -64.95 -29.0 69.91 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.312 -179.07 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 98' ' ' GLU . . . . . 0.78 ' O ' ' HB3' ' D' ' 101' ' ' ALA . 0.0 OUTLIER -70.93 -39.59 72.57 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 177.752 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' D' D ' 99' ' ' ILE . . . . . 0.48 HG23 ' HG ' ' C' ' 25' ' ' LEU . 53.9 mt -60.32 -49.32 84.68 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.814 0 CA-C-N 114.148 -1.387 . . . . 0.0 110.107 178.61 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 100' ' ' HIS . . . . . 0.862 ' HB2' HD11 ' D' ' 110' ' ' LEU . 1.7 t-160 -58.32 -33.76 69.85 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 178.535 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 101' ' ' ALA . . . . . 0.78 ' HB3' ' O ' ' D' ' 98' ' ' GLU . . . -55.74 -42.91 76.08 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 114.631 -1.168 . . . . 0.0 111.746 179.485 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 102' ' ' LEU . . . . . 0.831 HD13 HD23 ' C' ' 25' ' ' LEU . 0.3 OUTLIER -117.02 23.07 12.14 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 -177.521 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' D' D ' 103' ' ' THR . . . . . 0.615 HG23 HD12 ' D' ' 102' ' ' LEU . 36.3 p -144.46 -5.42 0.75 Allowed 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 23.8 t0 53.12 22.51 2.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.995 0.426 . . . . 0.0 110.981 -179.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 105' ' ' SER . . . . . 0.46 ' HB2' ' CE1' ' C' ' 21' ' ' TYR . 58.1 p -56.59 -23.98 44.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.863 179.647 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 106' ' ' SER . . . . . . . . . . . . . 3.6 t 79.37 124.78 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.823 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 107' ' ' GLU . . . . . 0.444 ' HA ' HD12 ' D' ' 110' ' ' LEU . 0.9 OUTLIER -53.6 -23.97 12.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.844 179.913 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -56.9 -55.05 39.5 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.09 0.471 . . . . 0.0 110.01 179.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 109' ' ' ASP . . . . . 0.597 ' O ' HD12 ' D' ' 113' ' ' LEU . 3.6 m-20 -63.27 -41.17 98.99 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.629 178.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 110' ' ' LEU . . . . . 0.862 HD11 ' HB2' ' D' ' 100' ' ' HIS . 88.2 mt -61.02 -34.0 74.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.071 179.106 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 111' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -64.97 -46.42 81.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.591 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 112' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -58.52 -39.44 80.14 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.194 179.627 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 113' ' ' LEU . . . . . 0.729 HD23 ' HB1' ' C' ' 14' ' ' ALA . 0.5 OUTLIER -75.13 -36.42 61.6 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.554 179.72 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' D' D ' 114' ' ' HIS . . . . . 0.744 ' HA ' HD21 ' D' ' 93' ' ' LEU . 0.0 OUTLIER -59.42 -28.79 67.25 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 178.769 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' D' D ' 115' ' ' SER . . . . . 0.413 ' N ' ' CD2' ' D' ' 114' ' ' HIS . 0.3 OUTLIER -79.13 -38.44 36.09 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 177.883 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' D' D ' 116' ' ' VAL . . . . . 0.873 ' O ' HD22 ' D' ' 122' ' ' LEU . 11.5 t -60.93 -23.34 29.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 115.177 -0.92 . . . . 0.0 109.633 178.072 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 117' ' ' PHE . . . . . 0.763 ' CD1' HG13 ' D' ' 89' ' ' VAL . 25.5 m-85 -99.17 -40.37 8.01 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.284 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 118' ' ' GLN . . . . . 0.45 ' NE2' HD11 ' D' ' 93' ' ' LEU . 0.0 OUTLIER -59.71 -30.22 68.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.614 -179.14 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -44.17 116.07 0.95 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.661 -179.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 120' ' ' GLN . . . . . 0.454 ' O ' ' CD2' ' D' ' 123' ' ' HIS . 0.7 OUTLIER -59.91 -42.47 93.97 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.538 179.773 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' D' D ' 121' ' ' HIS . . . . . 0.418 ' O ' ' HG ' ' D' ' 125' ' ' LEU . 0.5 OUTLIER -55.42 -33.58 63.68 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.352 179.453 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' D' D ' 122' ' ' LEU . . . . . 0.873 HD22 ' O ' ' D' ' 116' ' ' VAL . 36.8 tp -55.69 -47.5 76.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.989 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 123' ' ' HIS . . . . . 0.912 ' HA ' HD12 ' D' ' 126' ' ' LEU . 0.0 OUTLIER -57.66 -24.47 56.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.999 0.428 . . . . 0.0 110.15 179.39 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' D' D ' 124' ' ' THR . . . . . 0.598 HG21 HG23 ' C' ' 61' ' ' VAL . 1.4 m -75.0 -38.03 61.69 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.479 178.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 125' ' ' LEU . . . . . 0.768 HD12 HD12 ' D' ' 122' ' ' LEU . 1.7 mt -73.18 -28.38 62.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.5 178.314 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 126' ' ' LEU . . . . . 0.912 HD12 ' HA ' ' D' ' 123' ' ' HIS . 18.9 mt -73.1 -50.27 23.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.963 -179.724 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 127' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -60.59 -46.55 89.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.287 179.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 128' ' ' LEU . . . . . 0.959 HD21 ' CD2' ' A' ' 59' ' ' TYR . 12.9 mt -70.43 -29.88 66.59 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.451 179.53 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 129' ' ' TYR . . . . . 0.779 ' CE2' HG23 ' C' ' 43' ' ' ILE . 1.0 OUTLIER -56.74 -51.6 68.24 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.857 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' D' D ' 130' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -76.11 -31.4 58.65 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.66 -0.416 . . . . 0.0 111.367 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 131' ' ' LYS . . . . . . . . . . . . . 4.1 mttp -54.47 -54.09 45.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.793 0.33 . . . . 0.0 110.987 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 132' ' ' ILE . . . . . 0.81 ' HB ' HD21 ' C' ' 48' ' ' LEU . 2.6 mt -76.74 -40.12 32.07 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.648 179.678 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 133' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -59.67 -25.73 64.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.903 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 134' ' ' THR . . . . . 0.464 HG22 ' O ' ' D' ' 134' ' ' THR . 52.8 m -76.04 -3.1 34.0 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.338 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 135' ' ' LYS . . . . . 0.461 ' HG3' ' O ' ' D' ' 134' ' ' THR . 0.1 OUTLIER 44.2 34.84 1.07 Allowed 'General case' 0 N--CA 1.461 0.104 0 CA-C-O 120.89 0.376 . . . . 0.0 111.71 179.888 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' D' D ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.151 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 20.6 ttm-85 . . . . . 0 N--CA 1.454 -0.245 0 N-CA-C 110.45 -0.204 . . . . 0.0 110.45 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.558 ' HG2' HG21 ' A' ' 53' ' ' ILE . 28.6 mttt -65.28 -36.93 85.62 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-O 121.2 0.524 . . . . 0.0 109.624 179.013 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -76.82 -29.48 55.97 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.874 178.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.75 -30.89 40.91 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.463 179.658 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.5 p -75.97 -39.94 54.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.396 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -70.27 -37.43 74.87 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.846 -0.428 . . . . 0.0 109.846 179.285 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.54 -27.33 62.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.867 178.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.902 ' CB ' HG11 ' B' ' 116' ' ' VAL . . . -78.32 -55.29 5.36 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 178.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.706 HD22 ' HB3' ' A' ' 44' ' ' PHE . 0.3 OUTLIER -62.07 -27.27 68.79 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.53 179.088 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -73.56 -46.19 48.89 Favored 'General case' 0 CA--C 1.518 -0.256 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 178.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.874 HD22 ' CE1' ' A' ' 21' ' ' TYR . 1.5 mt -61.9 -37.91 86.4 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.316 178.646 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.92 ' CD2' HG11 ' B' ' 92' ' ' VAL . 39.0 mt -61.21 -42.35 98.45 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.902 179.714 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -63.11 -43.52 98.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.061 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -71.68 -34.5 69.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.232 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.874 ' CE1' HD22 ' A' ' 17' ' ' LEU . 11.7 m-30 -69.95 -44.01 70.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.047 179.598 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.652 ' HA ' HD12 ' A' ' 37' ' ' ILE . 1.8 ttt-85 -55.42 -51.09 68.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.845 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.0 p -58.57 -43.84 89.55 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.069 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.4 ptmt -85.41 -1.42 57.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.752 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 1.061 HD12 HD11 ' A' ' 37' ' ' ILE . 0.2 OUTLIER -90.03 -69.26 0.73 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.809 0.338 . . . . 0.0 111.006 -179.752 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.488 ' HB2' ' HB2' ' A' ' 34' ' ' ARG . 36.2 t -62.0 -146.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.826 -179.357 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 50.0 26.11 1.92 Allowed 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 121.066 0.46 . . . . 0.0 110.209 -179.299 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.539 HG23 ' N ' ' A' ' 29' ' ' GLU . 12.9 t -149.86 -53.74 0.16 Allowed 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.77 -179.768 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.539 ' N ' HG23 ' A' ' 28' ' ' THR . 13.5 pt-20 -179.57 27.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.702 -179.693 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.416 ' CB ' HD22 ' A' ' 25' ' ' LEU . 1.0 OUTLIER -142.92 52.04 1.4 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.961 0.41 . . . . 0.0 111.091 -179.802 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.77 -55.03 30.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.439 0.637 . . . . 0.0 110.297 179.573 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.5 tp60 -52.56 -50.21 63.38 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.791 178.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.821 HD21 ' HB3' ' B' ' 95' ' ' SER . 8.8 tp -54.8 -31.3 58.82 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.892 178.651 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.488 ' HB2' ' HB2' ' A' ' 26' ' ' SER . 10.5 ttp180 -60.46 -46.65 89.29 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.367 178.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.6 m -59.09 -34.79 72.41 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.15 178.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.405 ' HB3' ' CB ' ' B' ' 91' ' ' GLN . 0.8 OUTLIER -63.63 -51.84 63.45 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.584 179.691 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 1.061 HD11 HD12 ' A' ' 25' ' ' LEU . 33.4 mt -59.37 -41.09 83.25 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.285 0 CA-C-O 121.209 0.528 . . . . 0.0 109.774 179.009 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -58.04 -41.8 84.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.456 179.554 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.413 ' HB3' ' CB ' ' B' ' 88' ' ' ALA . 6.8 mtt180 -55.72 -50.46 70.29 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-O 121.239 0.542 . . . . 0.0 109.631 179.105 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.646 ' HB ' HD13 ' A' ' 18' ' ' LEU . 8.8 t -60.42 -28.65 42.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.663 179.592 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.72 HD11 ' HB3' ' A' ' 18' ' ' LEU . 13.0 mm -70.26 -55.46 14.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.627 179.701 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.2 p -63.79 -47.35 81.25 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-O 120.813 0.34 . . . . 0.0 111.099 -178.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 5.7 mt -59.7 -35.38 59.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.396 179.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.706 ' HB3' HD22 ' A' ' 15' ' ' LEU . 2.6 m-85 -72.6 -56.2 5.7 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.702 179.609 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.433 ' NE2' HG22 ' A' ' 41' ' ' ILE . 3.2 pt20 -79.18 -0.04 30.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.962 -178.648 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.23 150.18 2.59 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.834 0.35 . . . . 0.0 111.002 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -66.19 -35.9 81.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.35 -179.554 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.872 ' O ' HD12 ' A' ' 48' ' ' LEU . 0.5 OUTLIER -79.7 -43.33 22.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.137 -179.713 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -50.6 -56.26 12.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.273 -179.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -55.17 -36.32 65.73 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.063 0.459 . . . . 0.0 110.446 179.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.457 ' HB3' ' O ' ' A' ' 48' ' ' LEU . . . -59.34 -49.2 78.75 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.375 179.323 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.531 HD13 ' O ' ' B' ' 125' ' ' LEU . 2.1 mt -57.71 -46.64 84.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.263 179.366 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.927 HG12 HD13 ' B' ' 125' ' ' LEU . 25.9 mt -56.69 -31.26 34.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.551 179.498 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -73.12 -33.67 65.68 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.071 179.094 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.847 HG22 ' HB2' ' A' ' 59' ' ' TYR . 64.4 mt -67.54 -45.91 84.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.674 179.502 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.22 -25.14 2.08 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.599 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.42 ' O ' ' CD2' ' A' ' 58' ' ' PHE . 11.7 mm-40 -45.58 -34.94 3.64 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.218 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.479 ' CD1' ' HB3' ' C' ' 65' ' ' ASP . 62.0 m-85 -155.36 30.69 0.38 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.221 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.847 ' HB2' HG22 ' A' ' 55' ' ' ILE . 35.5 m-85 -136.34 70.41 1.42 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.503 179.509 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.416 ' HB2' ' HB ' ' C' ' 62' ' ' THR . 3.4 mm-40 -58.94 102.92 0.14 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.635 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.526 ' CG2' HG21 ' B' ' 124' ' ' THR . 0.0 OUTLIER -81.64 96.72 3.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.82 179.877 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.413 ' HB ' ' HB2' ' C' ' 60' ' ' GLU . 20.2 m -74.26 118.96 17.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.243 179.699 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.761 HD11 ' CE2' ' C' ' 59' ' ' TYR . 0.0 OUTLIER -93.59 120.91 34.44 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.033 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.765 ' N ' HD23 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -99.31 -28.38 13.33 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.064 179.53 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.495 ' HB2' ' CD1' ' C' ' 58' ' ' PHE . 0.7 OUTLIER -164.64 -85.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.599 179.424 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.629 -0.26 . . . . 0.0 111.045 179.648 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.522 HD23 ' O ' ' B' ' 82' ' ' LEU . 7.6 tt -97.88 -23.96 15.62 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 114.349 -0.926 . . . . 0.0 109.34 178.326 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . 0.961 HD23 ' H ' ' B' ' 84' ' ' ALA . 0.3 OUTLIER -80.99 -47.21 13.93 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.751 -179.538 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.961 ' H ' HD23 ' B' ' 83' ' ' LEU . . . -74.86 -25.56 59.06 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.731 -178.762 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 85' ' ' ALA . . . . . 0.932 ' HB1' ' HB3' ' B' ' 126' ' ' LEU . . . -52.94 -24.27 8.98 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.003 0.43 . . . . 0.0 110.224 179.52 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -123.07 -40.15 2.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.687 178.585 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 87' ' ' ARG . . . . . 0.703 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 28.0 ttt180 -65.21 -48.49 73.17 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.211 179.082 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . 0.763 ' HB2' ' HB1' ' B' ' 84' ' ' ALA . . . -65.02 -40.75 95.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.678 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 89' ' ' VAL . . . . . 0.491 ' CG1' ' HB3' ' B' ' 117' ' ' PHE . 48.9 t -61.5 -36.74 75.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.963 179.089 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 90' ' ' SER . . . . . 0.41 ' HA ' ' HB2' ' B' ' 93' ' ' LEU . 1.6 t -76.05 -23.54 55.11 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.783 179.483 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 91' ' ' GLN . . . . . 0.478 HE21 ' HG2' ' B' ' 87' ' ' ARG . 53.2 mt-30 -68.53 -55.69 10.84 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-O 121.32 0.581 . . . . 0.0 109.525 179.465 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 92' ' ' VAL . . . . . 0.92 HG11 ' CD2' ' A' ' 18' ' ' LEU . 2.9 t -67.8 -28.05 40.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.041 179.355 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . 0.705 HD21 ' HA ' ' B' ' 114' ' ' HIS . 2.9 mt -67.46 -34.39 77.09 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.985 179.572 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -86.97 -40.75 14.49 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.033 0.444 . . . . 0.0 111.079 -179.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 95' ' ' SER . . . . . 0.821 ' HB3' HD21 ' A' ' 33' ' ' LEU . 1.8 m -79.83 -17.65 52.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.213 -179.42 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . 0.945 HD12 ' CD2' ' B' ' 114' ' ' HIS . 0.2 OUTLIER -39.0 -52.12 1.8 Allowed 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -179.335 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -67.35 -30.09 69.81 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.486 -179.342 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . 0.806 ' O ' ' HB3' ' B' ' 101' ' ' ALA . 0.1 OUTLIER -69.88 -35.74 74.9 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 178.043 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 99' ' ' ILE . . . . . 0.538 ' O ' HG23 ' B' ' 103' ' ' THR . 45.2 mt -61.05 -48.78 87.5 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.843 0 CA-C-N 114.361 -1.29 . . . . 0.0 109.921 178.409 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . 0.778 ' HB2' HD11 ' B' ' 110' ' ' LEU . 1.9 t-160 -56.78 -35.41 68.67 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 178.267 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . 0.806 ' HB3' ' O ' ' B' ' 98' ' ' GLU . . . -54.23 -45.81 72.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.434 -1.257 . . . . 0.0 111.719 179.252 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 102' ' ' LEU . . . . . 0.765 HD21 ' OE2' ' B' ' 98' ' ' GLU . 0.4 OUTLIER -117.24 32.27 6.26 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.46 -0.791 . . . . 0.0 112.493 -177.625 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 103' ' ' THR . . . . . 0.659 HG23 HD12 ' B' ' 102' ' ' LEU . 41.8 p -147.39 -31.55 0.31 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 111.72 0.267 . . . . 0.0 111.72 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 11.8 t70 76.44 23.05 1.18 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.98 0.419 . . . . 0.0 110.576 -179.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 105' ' ' SER . . . . . 0.47 ' HB3' ' CE1' ' A' ' 21' ' ' TYR . 0.3 OUTLIER -59.66 -20.29 55.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.983 179.662 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . 0.403 ' CB ' ' O ' ' B' ' 105' ' ' SER . 3.9 t 79.89 123.18 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.702 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -51.1 -26.65 6.81 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.095 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.58 -55.08 38.39 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.11 0.481 . . . . 0.0 110.255 179.655 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 109' ' ' ASP . . . . . 0.714 ' O ' HD12 ' B' ' 113' ' ' LEU . 70.5 m-20 -64.74 -35.33 80.73 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.837 179.179 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 110' ' ' LEU . . . . . 0.937 HD22 HD22 ' B' ' 96' ' ' LEU . 31.0 mt -64.15 -36.4 83.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.093 179.282 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -65.6 -44.97 84.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.345 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 112' ' ' PHE . . . . . 0.615 ' O ' HG23 ' B' ' 116' ' ' VAL . 1.2 t80 -58.83 -40.8 85.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.585 179.661 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 113' ' ' LEU . . . . . 0.714 HD12 ' O ' ' B' ' 109' ' ' ASP . 0.5 OUTLIER -73.79 -32.2 63.64 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.929 -179.784 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 114' ' ' HIS . . . . . 0.945 ' CD2' HD12 ' B' ' 96' ' ' LEU . 35.4 m170 -60.05 -35.33 74.91 Favored 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 177.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . 0.417 ' HA ' ' HB2' ' B' ' 118' ' ' GLN . 56.8 m -73.35 -38.43 65.73 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.171 178.684 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 116' ' ' VAL . . . . . 0.902 HG11 ' CB ' ' A' ' 14' ' ' ALA . 74.7 t -61.92 -23.2 30.68 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 CA-C-N 115.287 -0.869 . . . . 0.0 109.984 178.377 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 117' ' ' PHE . . . . . 0.673 ' CZ ' HD11 ' A' ' 18' ' ' LEU . 6.3 m-30 -107.74 -16.0 14.43 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.648 -179.613 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 118' ' ' GLN . . . . . 0.433 ' NE2' HD11 ' B' ' 93' ' ' LEU . 0.0 OUTLIER -78.01 -35.28 50.1 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 120.772 0.32 . . . . 0.0 111.33 -179.469 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -43.49 134.74 3.91 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.748 -179.295 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -75.16 -40.66 59.4 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.579 179.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -55.78 -33.68 64.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.32 179.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . 0.803 HD22 ' O ' ' B' ' 116' ' ' VAL . 50.1 tp -55.92 -47.12 78.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.492 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 123' ' ' HIS . . . . . 0.967 ' HA ' HD12 ' B' ' 126' ' ' LEU . 49.0 m-70 -57.74 -25.71 60.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.291 179.319 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 124' ' ' THR . . . . . 0.573 HG22 HD11 ' B' ' 128' ' ' LEU . 4.1 m -73.32 -39.58 65.16 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 178.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . 0.927 HD13 HG12 ' A' ' 53' ' ' ILE . 1.9 mt -68.77 -31.58 70.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.704 178.557 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . 0.967 HD12 ' HA ' ' B' ' 123' ' ' HIS . 11.2 mt -73.22 -51.0 19.34 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.247 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -60.03 -50.62 73.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.031 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . 0.943 HD21 ' CD2' ' C' ' 59' ' ' TYR . 9.2 mt -68.25 -30.01 68.96 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.761 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 129' ' ' TYR . . . . . 0.461 ' O ' ' HB2' ' B' ' 133' ' ' ASN . 8.0 t80 -57.35 -53.01 62.93 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.868 -179.401 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 130' ' ' ASP . . . . . 0.429 ' OD2' ' HB2' ' B' ' 82' ' ' LEU . 2.2 t70 -76.77 -28.44 55.67 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.659 -0.416 . . . . 0.0 111.356 179.579 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 2.2 tptp -54.74 -52.5 62.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.99 -179.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 132' ' ' ILE . . . . . 0.752 HD12 ' O ' ' B' ' 128' ' ' LEU . 1.7 mt -77.26 -41.06 30.14 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.014 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 133' ' ' ASN . . . . . 0.529 ' HB2' HD23 ' A' ' 48' ' ' LEU . 1.9 t-20 -58.66 -25.89 63.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.704 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 134' ' ' THR . . . . . 0.566 HG22 ' O ' ' B' ' 134' ' ' THR . 90.8 m -84.44 5.91 25.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.458 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 135' ' ' LYS . . . . . 0.511 ' HG2' ' O ' ' B' ' 134' ' ' THR . 0.0 OUTLIER 34.0 36.98 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.179 0.514 . . . . 0.0 111.733 -179.931 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.91 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 7' ' ' ARG . . . . . . . . . . . . . 8.6 ttm-85 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.33 -37.2 84.69 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-O 121.163 0.506 . . . . 0.0 109.78 179.016 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 54.9 mm-40 -75.65 -30.3 59.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.99 179.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -77.48 -31.5 53.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.311 179.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 1.1 p -72.29 -43.98 63.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.671 179.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 12' ' ' GLN . . . . . 0.602 ' HA ' HD23 ' C' ' 15' ' ' LEU . 0.7 OUTLIER -69.46 -35.35 75.54 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.27 179.504 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 23.0 ttt-85 -73.67 -25.19 60.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.965 179.059 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 14' ' ' ALA . . . . . 0.749 ' HB1' HD23 ' D' ' 113' ' ' LEU . . . -78.37 -55.0 5.58 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 179.02 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 15' ' ' LEU . . . . . 0.863 HD22 ' HB3' ' C' ' 44' ' ' PHE . 0.3 OUTLIER -61.39 -26.11 67.63 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.577 179.238 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 16' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -73.4 -43.88 59.58 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 178.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . 0.947 HD22 ' CE1' ' C' ' 21' ' ' TYR . 1.3 mt -61.89 -48.43 80.54 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.269 179.407 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . 1.035 HD22 HG11 ' D' ' 92' ' ' VAL . 6.2 mt -59.02 -37.6 77.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.31 179.704 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -57.69 -47.17 83.11 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.313 0.577 . . . . 0.0 110.368 179.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 20' ' ' GLU . . . . . 0.501 ' O ' ' HG3' ' C' ' 24' ' ' LYS . 18.5 mm-40 -71.34 -29.39 64.93 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.063 179.437 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 21' ' ' TYR . . . . . 0.947 ' CE1' HD22 ' C' ' 17' ' ' LEU . 6.1 m-30 -68.43 -49.42 60.08 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.388 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 22' ' ' ARG . . . . . 0.401 ' HB2' ' HG3' ' C' ' 34' ' ' ARG . 29.1 ptt85 -57.45 -42.72 83.04 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.893 0.378 . . . . 0.0 110.362 179.268 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 3.9 m -58.94 -37.36 76.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.841 179.556 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 24' ' ' LYS . . . . . 0.501 ' HG3' ' O ' ' C' ' 20' ' ' GLU . 0.0 OUTLIER -110.32 17.47 20.85 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.624 -179.861 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 25' ' ' LEU . . . . . 0.738 HD12 HD11 ' C' ' 37' ' ' ILE . 0.1 OUTLIER -105.71 -61.13 1.54 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.188 0.518 . . . . 0.0 110.059 179.61 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . 0.403 ' OG ' ' CG ' ' C' ' 34' ' ' ARG . 1.2 m -65.04 -152.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.911 -179.635 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 27' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 57.76 23.25 9.34 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-O 120.938 0.399 . . . . 0.0 110.678 -179.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 28' ' ' THR . . . . . 0.676 HG23 ' H ' ' C' ' 29' ' ' GLU . 4.8 t -145.02 -59.88 0.35 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.043 -179.422 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 29' ' ' GLU . . . . . 0.676 ' H ' HG23 ' C' ' 28' ' ' THR . 17.2 pt-20 -174.69 27.97 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.283 -179.355 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -138.18 48.03 1.98 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.971 0.415 . . . . 0.0 110.922 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 -63.67 -52.31 61.25 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.147 0.499 . . . . 0.0 110.046 179.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.18 -43.91 78.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.637 178.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 33' ' ' LEU . . . . . 0.582 HD21 ' HB3' ' D' ' 95' ' ' SER . 8.6 tp -56.41 -34.53 66.84 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.864 178.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 34' ' ' ARG . . . . . 0.403 ' CG ' ' OG ' ' C' ' 26' ' ' SER . 1.8 ttp180 -60.47 -46.32 90.52 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.33 178.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.82 -32.91 69.82 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.065 178.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 36' ' ' SER . . . . . 0.441 ' HB3' ' CB ' ' D' ' 91' ' ' GLN . 0.5 OUTLIER -70.05 -51.39 32.41 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.081 179.218 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 37' ' ' ILE . . . . . 0.953 HG23 ' HB3' ' C' ' 18' ' ' LEU . 57.6 mt -56.84 -40.79 73.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.524 178.687 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.58 -41.51 94.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.82 179.623 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 39' ' ' ARG . . . . . 0.457 ' HB3' ' CB ' ' D' ' 88' ' ' ALA . 9.4 mtt180 -55.57 -49.62 72.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.142 0.496 . . . . 0.0 109.749 179.404 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . 0.636 HG21 HG21 ' D' ' 92' ' ' VAL . 24.5 t -60.18 -33.44 53.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.591 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 41' ' ' ILE . . . . . 0.786 HD11 ' HB2' ' C' ' 18' ' ' LEU . 13.5 mm -70.45 -50.29 46.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.809 0.337 . . . . 0.0 111.117 179.58 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 4.5 t -64.09 -48.4 76.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.728 -179.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 43' ' ' ILE . . . . . 0.773 HG23 ' CE2' ' D' ' 129' ' ' TYR . 5.1 mt -59.93 -33.53 53.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.143 179.488 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 44' ' ' PHE . . . . . 0.863 ' HB3' HD22 ' C' ' 15' ' ' LEU . 3.8 m-85 -72.01 -53.08 14.04 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.023 179.197 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 45' ' ' GLN . . . . . 0.772 ' NE2' HG22 ' C' ' 41' ' ' ILE . 30.8 mt-30 -55.17 -54.74 39.43 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.913 -179.643 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 46' ' ' SER . . . . . 0.506 ' C ' ' O ' ' C' ' 45' ' ' GLN . 53.6 p -17.13 118.08 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.322 -179.062 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -49.65 -26.23 3.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.712 -179.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . 0.775 ' O ' HD12 ' C' ' 48' ' ' LEU . 1.7 tp -78.11 -46.8 19.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.678 0.275 . . . . 0.0 110.946 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 49' ' ' PHE . . . . . 0.563 ' CE1' HD11 ' C' ' 53' ' ' ILE . 56.1 t80 -50.81 -55.56 16.3 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.785 0.326 . . . . 0.0 110.533 -179.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.09 -37.74 83.77 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.148 0.499 . . . . 0.0 109.934 178.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.68 -41.49 86.31 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.885 179.089 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 52' ' ' LEU . . . . . 0.536 HD21 ' CB ' ' D' ' 128' ' ' LEU . 0.3 OUTLIER -60.75 -43.06 98.45 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.555 178.717 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 53' ' ' ILE . . . . . 0.759 HG12 HD13 ' D' ' 125' ' ' LEU . 19.9 mt -56.16 -35.39 41.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.406 179.026 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -73.28 -31.9 64.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.457 179.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 55' ' ' ILE . . . . . 0.656 HG22 ' HB2' ' C' ' 59' ' ' TYR . 85.5 mt -67.52 -48.06 78.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.949 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 56' ' ' GLN . . . . . 0.612 ' OE1' HD21 ' D' ' 125' ' ' LEU . 5.5 pt20 -53.23 -22.3 6.59 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.52 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 57' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -45.01 -32.4 1.65 Allowed 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 120.809 0.338 . . . . 0.0 110.968 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 58' ' ' PHE . . . . . 0.495 ' CD1' ' HB2' ' A' ' 65' ' ' ASP . 54.9 m-85 -155.67 23.74 0.39 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.349 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 59' ' ' TYR . . . . . 0.943 ' CD2' HD21 ' B' ' 128' ' ' LEU . 16.5 m-85 -134.34 74.23 1.53 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.383 179.687 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 60' ' ' GLU . . . . . 0.413 ' HB2' ' HB ' ' A' ' 62' ' ' THR . 1.2 mt-10 -60.78 98.48 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.847 0.356 . . . . 0.0 110.765 -179.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 61' ' ' VAL . . . . . 0.617 HG23 HG21 ' D' ' 124' ' ' THR . 0.0 OUTLIER -72.69 99.04 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.155 -179.859 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 62' ' ' THR . . . . . 0.416 ' HB ' ' HB2' ' A' ' 60' ' ' GLU . 6.6 m -86.26 117.45 25.08 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.385 179.701 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 63' ' ' LEU . . . . . 0.617 HD11 ' OH ' ' A' ' 59' ' ' TYR . 0.2 OUTLIER -92.12 135.06 34.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.206 -179.765 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 64' ' ' LEU . . . . . 0.76 HD23 ' N ' ' C' ' 64' ' ' LEU . 0.0 OUTLIER -114.39 -28.39 7.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.713 179.755 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 65' ' ' ASP . . . . . 0.479 ' HB3' ' CD1' ' A' ' 58' ' ' PHE . 32.9 t70 -157.92 -87.12 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.948 179.561 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 66' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 . . . . . 0 N--CA 1.462 0.164 0 CA-C-O 120.609 0.242 . . . . 0.0 111.164 179.789 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.437 0 N-CA-C 110.524 -1.03 . . . . 0.0 110.524 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 82' ' ' LEU . . . . . 0.561 ' O ' ' HB3' ' D' ' 85' ' ' ALA . 1.0 OUTLIER -69.73 -29.87 67.36 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 178.118 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' D' D ' 83' ' ' LEU . . . . . 0.991 HD23 ' H ' ' D' ' 84' ' ' ALA . 0.0 OUTLIER -44.69 -61.11 1.69 Allowed 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 114.922 -1.035 . . . . 0.0 111.255 -179.822 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' D' D ' 84' ' ' ALA . . . . . 0.991 ' H ' HD23 ' D' ' 83' ' ' LEU . . . -66.36 -26.91 67.5 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.126 -179.359 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 85' ' ' ALA . . . . . 0.925 ' HB1' ' HB3' ' D' ' 126' ' ' LEU . . . -53.03 -25.24 11.72 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.968 0.413 . . . . 0.0 110.406 179.514 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 86' ' ' GLU . . . . . 0.404 ' OE1' ' CG ' ' D' ' 123' ' ' HIS . 0.2 OUTLIER -127.04 -44.74 1.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.068 178.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' D' D ' 87' ' ' ARG . . . . . 0.78 ' HB3' ' O ' ' D' ' 83' ' ' LEU . 3.4 ttt180 -57.49 -47.38 82.08 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.063 179.096 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 88' ' ' ALA . . . . . 0.739 ' HB3' ' O ' ' D' ' 84' ' ' ALA . . . -57.55 -48.12 80.18 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.72 179.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 89' ' ' VAL . . . . . 0.816 HG13 ' CD1' ' D' ' 117' ' ' PHE . 50.0 t -61.46 -51.3 74.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.622 179.415 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 7.8 t -54.93 -26.3 35.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.229 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 91' ' ' GLN . . . . . 0.441 ' CB ' ' HB3' ' C' ' 36' ' ' SER . 48.4 mt-30 -72.32 -56.25 5.8 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-O 121.329 0.585 . . . . 0.0 110.048 179.6 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 92' ' ' VAL . . . . . 1.035 HG11 HD22 ' C' ' 18' ' ' LEU . 2.8 t -66.02 -28.21 43.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.494 179.481 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 93' ' ' LEU . . . . . 0.776 HD21 ' HA ' ' D' ' 114' ' ' HIS . 1.7 mt -73.9 -32.22 63.47 Favored 'General case' 0 C--O 1.23 0.066 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.354 179.672 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -86.12 -40.85 15.25 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.853 0.359 . . . . 0.0 111.044 -179.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 95' ' ' SER . . . . . 0.582 ' HB3' HD21 ' C' ' 33' ' ' LEU . 0.6 OUTLIER -79.21 -17.3 55.11 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.466 -179.834 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' D' D ' 96' ' ' LEU . . . . . 0.833 HD13 ' HB3' ' D' ' 110' ' ' LEU . 0.2 OUTLIER -40.23 -47.14 2.4 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.999 0.428 . . . . 0.0 111.941 -179.755 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -68.36 -34.03 75.34 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.234 -179.237 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 98' ' ' GLU . . . . . 0.819 ' O ' ' HB3' ' D' ' 101' ' ' ALA . 0.1 OUTLIER -69.18 -35.43 76.25 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 178.139 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' D' D ' 99' ' ' ILE . . . . . 0.485 ' HB ' ' O ' ' D' ' 96' ' ' LEU . 33.9 mt -59.18 -48.27 87.42 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.729 0 CA-C-N 114.462 -1.244 . . . . 0.0 109.81 178.451 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 100' ' ' HIS . . . . . 0.975 ' HB2' HD11 ' D' ' 110' ' ' LEU . 1.2 t-160 -58.39 -35.57 72.22 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 178.186 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 101' ' ' ALA . . . . . 0.819 ' HB3' ' O ' ' D' ' 98' ' ' GLU . . . -53.78 -44.06 69.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 114.619 -1.173 . . . . 0.0 111.865 179.361 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 102' ' ' LEU . . . . . 0.798 HD21 ' OE2' ' D' ' 98' ' ' GLU . 0.4 OUTLIER -118.09 32.08 6.34 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.619 -0.719 . . . . 0.0 112.692 -177.521 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' D' D ' 103' ' ' THR . . . . . 0.635 HG23 HD12 ' D' ' 102' ' ' LEU . 43.2 p -148.59 -36.98 0.18 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.73 0.3 . . . . 0.0 111.639 179.744 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 77.21 26.73 0.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.041 0.448 . . . . 0.0 110.338 -179.196 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 105' ' ' SER . . . . . . . . . . . . . 3.5 m -61.34 -16.61 47.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.235 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 106' ' ' SER . . . . . . . . . . . . . 1.3 t 77.56 124.94 0.04 OUTLIER 'General case' 0 N--CA 1.461 0.112 0 CA-C-O 120.954 0.407 . . . . 0.0 110.759 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 107' ' ' GLU . . . . . 0.805 ' HA ' HD12 ' D' ' 110' ' ' LEU . 3.6 pt-20 -52.34 -25.8 10.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.185 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.52 -55.18 38.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.083 0.468 . . . . 0.0 110.306 179.714 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 109' ' ' ASP . . . . . 0.509 ' O ' HD12 ' D' ' 113' ' ' LEU . 77.8 m-20 -63.17 -39.08 93.63 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.813 179.093 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 110' ' ' LEU . . . . . 0.975 HD11 ' HB2' ' D' ' 100' ' ' HIS . 31.3 mt -62.94 -36.92 85.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.285 179.393 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 111' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -63.81 -42.63 97.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.442 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 112' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -59.46 -46.65 88.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.392 179.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 113' ' ' LEU . . . . . 0.749 HD23 ' HB1' ' C' ' 14' ' ' ALA . 0.5 OUTLIER -69.92 -41.23 74.93 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.655 179.821 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' D' D ' 114' ' ' HIS . . . . . 0.776 ' HA ' HD21 ' D' ' 93' ' ' LEU . 2.3 t60 -56.98 -31.43 65.04 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 178.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 115' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.11 -38.71 51.66 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 177.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 116' ' ' VAL . . . . . 0.822 ' O ' HD22 ' D' ' 122' ' ' LEU . 3.3 t -59.24 -23.66 25.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 115.178 -0.919 . . . . 0.0 109.624 178.074 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 117' ' ' PHE . . . . . 0.816 ' CD1' HG13 ' D' ' 89' ' ' VAL . 27.2 m-85 -97.28 -48.92 5.15 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.26 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 118' ' ' GLN . . . . . 0.462 ' NE2' ' CE1' ' D' ' 114' ' ' HIS . 0.0 OUTLIER -49.05 -31.39 7.64 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.345 -179.377 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -46.69 119.06 2.27 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.311 -179.684 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 120' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.63 -37.91 89.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.865 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 121' ' ' HIS . . . . . 0.414 ' O ' ' HG ' ' D' ' 125' ' ' LEU . 13.9 m80 -59.06 -38.5 79.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.788 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 122' ' ' LEU . . . . . 0.822 HD22 ' O ' ' D' ' 116' ' ' VAL . 60.8 tp -56.52 -47.59 79.01 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.45 179.745 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 123' ' ' HIS . . . . . 0.944 ' HA ' HD12 ' D' ' 126' ' ' LEU . 50.1 m170 -53.94 -27.22 29.6 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.084 0.469 . . . . 0.0 110.043 178.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 124' ' ' THR . . . . . 0.617 HG21 HG23 ' C' ' 61' ' ' VAL . 1.2 m -74.89 -38.2 61.93 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.491 178.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 125' ' ' LEU . . . . . 0.759 HD13 HG12 ' C' ' 53' ' ' ILE . 1.7 mt -73.18 -29.6 62.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.315 178.38 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 126' ' ' LEU . . . . . 0.944 HD12 ' HA ' ' D' ' 123' ' ' HIS . 9.5 mt -71.27 -50.36 33.49 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.965 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 127' ' ' ASP . . . . . 0.429 ' O ' ' HB2' ' D' ' 131' ' ' LYS . 21.9 m-20 -67.88 -47.54 68.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.854 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 128' ' ' LEU . . . . . 0.834 HD21 ' CD2' ' A' ' 59' ' ' TYR . 64.4 mt -60.49 -35.24 75.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.638 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 129' ' ' TYR . . . . . 0.773 ' CE2' HG23 ' C' ' 43' ' ' ILE . 0.5 OUTLIER -64.01 -50.7 67.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.707 179.931 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' D' D ' 130' ' ' ASP . . . . . 0.841 ' OD2' ' HB2' ' D' ' 85' ' ' ALA . 23.6 m-20 -75.26 -25.7 58.24 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.502 -179.691 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 131' ' ' LYS . . . . . 0.429 ' HB2' ' O ' ' D' ' 127' ' ' ASP . 1.6 tttp -63.91 -52.13 61.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.733 0.301 . . . . 0.0 110.777 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 132' ' ' ILE . . . . . 0.655 HD12 ' O ' ' D' ' 128' ' ' LEU . 3.5 mt -71.91 -35.02 53.0 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 CA-C-O 121.017 0.437 . . . . 0.0 110.469 179.769 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 133' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -71.4 -26.91 62.97 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.877 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 134' ' ' THR . . . . . 0.579 HG22 ' O ' ' D' ' 134' ' ' THR . 91.3 m -112.36 7.87 19.37 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.412 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 135' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.56 -39.08 53.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.834 0.35 . . . . 0.0 110.761 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 136' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.917 179.851 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.466 ' O ' HG23 ' A' ' 11' ' ' THR . 13.0 ttm180 . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.6 tttm -64.1 -39.4 93.97 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-O 121.105 0.479 . . . . 0.0 109.814 179.093 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 42.3 mm-40 -77.28 -31.62 54.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.126 179.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -77.1 -29.76 55.02 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.13 179.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.466 HG23 ' O ' ' A' ' 7' ' ' ARG . 5.4 p -72.54 -47.56 47.35 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.365 179.7 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.54 ' HA ' HD23 ' A' ' 15' ' ' LEU . 0.7 OUTLIER -65.22 -36.8 85.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.179 179.634 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.71 -24.45 59.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.053 179.053 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.803 ' CB ' HG11 ' B' ' 116' ' ' VAL . . . -77.8 -54.85 5.86 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.592 179.109 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.895 ' HA ' HD12 ' A' ' 18' ' ' LEU . 0.5 OUTLIER -59.63 -29.61 68.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.327 179.498 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -73.12 -44.29 60.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.11 0.481 . . . . 0.0 110.181 179.112 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.81 HD22 ' CE1' ' A' ' 21' ' ' TYR . 1.4 mt -59.6 -48.18 82.66 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.934 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.895 HD12 ' HA ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -62.46 -33.99 75.93 Favored 'General case' 0 CA--C 1.52 -0.199 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.026 179.614 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -57.4 -44.58 84.67 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.237 0.542 . . . . 0.0 110.126 179.456 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -73.04 -32.68 65.24 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.005 179.074 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.81 ' CE1' HD22 ' A' ' 17' ' ' LEU . 7.0 m-30 -65.77 -47.07 76.41 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.401 179.72 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.548 ' HB3' HD13 ' A' ' 37' ' ' ILE . 3.9 ptm180 -60.42 -41.81 94.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.386 179.514 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.446 ' N ' ' HG3' ' A' ' 22' ' ' ARG . 38.1 p -59.14 -35.69 73.94 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.264 179.304 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.2 ptmt -101.74 3.27 39.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.446 179.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.828 HD12 HD11 ' A' ' 37' ' ' ILE . 0.4 OUTLIER -91.5 -66.17 0.95 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.055 0.455 . . . . 0.0 111.107 -179.63 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.448 ' HB3' ' HB2' ' A' ' 34' ' ' ARG . 5.7 p -60.92 -159.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.008 -179.322 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.427 ' OE1' ' NH1' ' A' ' 31' ' ' ARG . 1.6 mp0 58.8 29.64 19.0 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.628 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.712 HG23 ' H ' ' A' ' 29' ' ' GLU . 4.2 t -151.48 -61.31 0.17 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.175 -179.739 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.712 ' H ' HG23 ' A' ' 28' ' ' THR . 26.8 pt-20 -174.43 27.87 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.233 -179.442 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.41 ' HB3' ' HB3' ' A' ' 33' ' ' LEU . 1.8 m-20 -143.05 53.61 1.37 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.583 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.427 ' NH1' ' OE1' ' A' ' 27' ' ' GLN . 11.9 mmm180 -66.41 -52.05 50.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.16 179.679 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -56.65 -47.92 78.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.634 178.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.709 HD21 ' HB3' ' B' ' 95' ' ' SER . 13.7 tp -54.77 -34.12 62.19 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.897 178.726 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.767 ' HA ' HD12 ' A' ' 37' ' ' ILE . 11.2 ttp180 -60.61 -43.28 97.63 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.322 178.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.77 -34.27 74.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.2 178.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.43 ' HB2' ' CB ' ' B' ' 91' ' ' GLN . 5.6 p -62.5 -51.66 66.57 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.533 179.513 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.88 HG23 ' HB3' ' A' ' 18' ' ' LEU . 5.1 mt -55.19 -45.79 77.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.096 179.098 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.79 -43.01 72.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.983 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.482 ' HB2' ' HB1' ' B' ' 88' ' ' ALA . 6.4 mtt180 -55.74 -51.34 67.67 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-O 121.207 0.527 . . . . 0.0 110.104 179.419 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.77 HG11 ' CZ ' ' B' ' 117' ' ' PHE . 11.5 t -60.47 -32.0 50.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.436 179.723 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.834 HD11 ' HB2' ' A' ' 18' ' ' LEU . 6.7 mm -70.35 -55.8 13.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.795 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 38.5 t -61.81 -49.24 77.09 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.042 0.448 . . . . 0.0 110.949 -179.006 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.471 HG23 ' CE2' ' B' ' 129' ' ' TYR . 10.2 mt -59.04 -33.49 50.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.191 179.729 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.775 ' HB3' HD22 ' A' ' 15' ' ' LEU . 2.0 m-85 -72.47 -56.16 5.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 112.085 179.685 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.491 ' HG2' ' O ' ' A' ' 41' ' ' ILE . 6.1 pt20 -81.09 5.22 17.32 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -178.463 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.7 m -53.99 177.52 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.401 0 CA-C-O 120.748 0.309 . . . . 0.0 110.183 179.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.458 ' ND2' ' H ' ' A' ' 47' ' ' ASN . 0.7 OUTLIER -89.19 -51.41 5.6 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.588 -179.552 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.869 ' O ' HD12 ' A' ' 48' ' ' LEU . 1.8 tp -68.38 -38.49 81.41 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.103 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.403 ' HZ ' HD11 ' B' ' 122' ' ' LEU . 59.8 t80 -51.11 -55.92 15.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.7 0.286 . . . . 0.0 111.014 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -59.16 -34.28 71.9 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.007 0.432 . . . . 0.0 109.995 179.179 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.605 ' HB2' ' HG2' ' D' ' 135' ' ' LYS . . . -58.93 -45.01 91.41 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.211 179.198 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.508 HD21 ' HB3' ' B' ' 128' ' ' LEU . 1.8 mt -60.74 -44.79 96.22 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.082 179.103 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.602 HG12 HD13 ' B' ' 125' ' ' LEU . 9.8 mt -54.22 -35.96 31.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.248 179.314 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -73.3 -33.97 65.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.307 179.153 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.657 HG22 ' HB2' ' A' ' 59' ' ' TYR . 60.3 mt -66.54 -51.25 59.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.716 179.756 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -51.11 -25.15 4.71 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.344 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -48.24 -32.17 6.84 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.867 0.365 . . . . 0.0 110.907 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.441 ' CE1' ' HB2' ' C' ' 65' ' ' ASP . 8.6 m-85 -148.77 21.85 1.01 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.121 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.657 ' HB2' HG22 ' A' ' 55' ' ' ILE . 55.5 m-85 -136.21 74.37 1.5 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.567 179.763 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.403 ' HB2' ' HB ' ' C' ' 62' ' ' THR . 3.1 mm-40 -61.22 94.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.744 0.307 . . . . 0.0 111.045 -179.73 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.536 HG23 HG21 ' B' ' 124' ' ' THR . 0.0 OUTLIER -72.87 104.14 1.96 Allowed 'Isoleucine or valine' 0 CA--C 1.522 -0.129 0 CA-C-O 120.871 0.367 . . . . 0.0 110.796 179.654 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.423 ' O ' HD23 ' A' ' 64' ' ' LEU . 12.2 m -85.76 109.62 18.77 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.743 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.421 HD11 ' CZ ' ' C' ' 59' ' ' TYR . 0.2 OUTLIER -84.29 130.01 34.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.568 179.716 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.713 ' N ' HD23 ' A' ' 64' ' ' LEU . 0.1 OUTLIER -116.04 -25.44 7.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.346 -179.642 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.408 ' HB2' ' CB ' ' C' ' 58' ' ' PHE . 1.2 t0 -63.33 -18.5 63.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.062 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 . . . . . 0 C--N 1.331 -0.222 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.362 -179.878 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.466 0 N-CA-C 109.655 -1.378 . . . . 0.0 109.655 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.523 HD11 ' HG2' ' B' ' 131' ' ' LYS . 8.8 tt -86.17 -25.27 25.78 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.29 -0.955 . . . . 0.0 110.152 178.663 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . 0.881 HD23 ' H ' ' B' ' 84' ' ' ALA . 0.8 OUTLIER -70.79 -34.71 72.05 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.976 -179.703 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.995 ' HB1' ' HB2' ' B' ' 88' ' ' ALA . . . -95.1 -16.75 22.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.547 -0.751 . . . . 0.0 112.652 -178.061 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 85' ' ' ALA . . . . . 0.903 ' HB1' ' HB3' ' B' ' 126' ' ' LEU . . . -51.96 -24.27 6.23 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.409 -0.516 . . . . 0.0 110.451 -179.76 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -123.03 -37.73 2.69 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.661 -0.699 . . . . 0.0 109.461 178.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 87' ' ' ARG . . . . . 0.67 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 31.7 ttt85 -65.71 -53.13 45.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.407 179.183 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . 0.995 ' HB2' ' HB1' ' B' ' 84' ' ' ALA . . . -60.38 -33.25 72.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.524 179.601 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 89' ' ' VAL . . . . . 0.473 ' CG1' ' HB3' ' B' ' 117' ' ' PHE . 38.7 t -66.81 -40.03 84.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.984 179.085 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 48.2 t -75.72 -21.79 57.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.624 179.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 91' ' ' GLN . . . . . 0.446 ' NE2' ' HA ' ' B' ' 88' ' ' ALA . 62.8 mt-30 -68.28 -56.9 6.99 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-O 121.266 0.555 . . . . 0.0 109.666 179.522 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 92' ' ' VAL . . . . . 0.839 HG11 HD22 ' A' ' 18' ' ' LEU . 4.2 t -67.84 -28.02 39.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.308 179.393 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . 0.634 HD11 ' HB2' ' B' ' 117' ' ' PHE . 0.7 OUTLIER -70.44 -30.07 66.82 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.422 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -87.97 -39.69 14.51 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.867 0.365 . . . . 0.0 111.362 -179.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 95' ' ' SER . . . . . 0.709 ' HB3' HD21 ' A' ' 33' ' ' LEU . 1.1 m -79.79 -16.27 55.86 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.892 -179.421 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . 0.85 HD13 ' HB3' ' B' ' 110' ' ' LEU . 0.1 OUTLIER -37.85 -51.71 1.3 Allowed 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 -179.25 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -69.08 -31.54 70.36 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.178 -179.008 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . 0.823 ' O ' ' HB3' ' B' ' 101' ' ' ALA . 0.0 OUTLIER -69.29 -34.53 74.86 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 178.023 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 99' ' ' ILE . . . . . 0.521 HG12 ' CD1' ' A' ' 25' ' ' LEU . 27.2 mt -60.3 -49.07 85.67 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 CA-C-N 114.476 -1.238 . . . . 0.0 109.9 178.484 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . 0.825 ' HB2' HD11 ' B' ' 110' ' ' LEU . 14.9 t-160 -55.37 -39.14 69.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 122.007 0.908 . . . . 0.0 108.551 178.188 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . 0.823 ' HB3' ' O ' ' B' ' 98' ' ' GLU . . . -51.39 -46.11 62.72 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 113.879 -1.51 . . . . 0.0 112.075 179.573 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 102' ' ' LEU . . . . . 0.655 HD12 HG23 ' B' ' 103' ' ' THR . 0.4 OUTLIER -116.99 31.87 6.5 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.781 -177.479 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 103' ' ' THR . . . . . 0.655 HG23 HD12 ' B' ' 102' ' ' LEU . 33.2 p -149.51 -31.97 0.22 Allowed 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.967 -0.293 . . . . 0.0 111.656 179.471 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 1.1 t70 68.17 27.9 6.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.006 0.431 . . . . 0.0 110.302 -179.363 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.33 -81.98 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.877 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 164.94 108.09 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.153 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . 0.769 ' HA ' HD12 ' B' ' 110' ' ' LEU . 9.1 pt-20 -48.78 -36.22 16.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.825 0.345 . . . . 0.0 110.745 -179.798 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 1.6 mmmt -63.21 -46.95 84.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.822 179.068 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 109' ' ' ASP . . . . . 0.727 ' O ' HD12 ' B' ' 113' ' ' LEU . 16.6 m-20 -66.46 -34.9 78.98 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.926 178.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 110' ' ' LEU . . . . . 0.85 ' HB3' HD13 ' B' ' 96' ' ' LEU . 65.3 mt -64.66 -43.15 94.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.908 179.251 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -60.63 -41.57 95.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.504 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 112' ' ' PHE . . . . . 0.639 ' O ' HG23 ' B' ' 116' ' ' VAL . 2.7 t80 -59.03 -47.41 85.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.289 179.576 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 113' ' ' LEU . . . . . 0.77 HD11 ' CD1' ' A' ' 17' ' ' LEU . 0.7 OUTLIER -70.07 -33.2 71.61 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.086 179.597 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 114' ' ' HIS . . . . . 0.634 ' O ' ' HG2' ' B' ' 118' ' ' GLN . 1.0 OUTLIER -56.35 -41.39 76.05 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 178.539 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . 0.547 ' HA ' ' HG2' ' B' ' 118' ' ' GLN . 27.9 t -76.23 -34.77 59.22 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.946 178.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 116' ' ' VAL . . . . . 0.809 ' O ' HD22 ' B' ' 122' ' ' LEU . 41.4 t -56.3 -26.1 21.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.524 178.561 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 117' ' ' PHE . . . . . 0.77 ' CZ ' HG11 ' A' ' 40' ' ' VAL . 8.2 m-30 -103.08 -19.32 14.59 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.83 179.402 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 118' ' ' GLN . . . . . 0.634 ' HG2' ' O ' ' B' ' 114' ' ' HIS . 30.1 mm-40 -62.18 -42.88 99.7 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.064 0.459 . . . . 0.0 110.705 179.335 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -42.4 120.88 1.77 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.873 -179.085 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 5.1 tm0? -67.4 -36.7 81.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.287 179.566 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 49.4 m-70 -59.36 -34.86 72.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.385 179.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . 0.809 HD22 ' O ' ' B' ' 116' ' ' VAL . 56.2 tp -56.32 -43.87 79.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.027 179.572 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 123' ' ' HIS . . . . . 0.951 ' HA ' HD12 ' B' ' 126' ' ' LEU . 10.9 m170 -58.38 -27.11 63.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.738 178.788 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 124' ' ' THR . . . . . 0.536 HG21 HG23 ' A' ' 61' ' ' VAL . 1.3 m -72.89 -36.23 67.3 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 178.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . 0.806 HD12 HD12 ' B' ' 122' ' ' LEU . 4.0 mt -73.0 -33.51 65.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.414 178.477 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . 0.951 HD12 ' HA ' ' B' ' 123' ' ' HIS . 4.9 mt -72.91 -50.08 25.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.97 179.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.89 -51.51 64.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.083 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . 0.92 HD21 ' CD2' ' C' ' 59' ' ' TYR . 70.8 mt -60.83 -36.82 80.07 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.908 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 129' ' ' TYR . . . . . 0.604 ' O ' HD23 ' A' ' 48' ' ' LEU . 1.5 t80 -58.94 -52.72 64.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.048 -179.264 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 130' ' ' ASP . . . . . 0.8 ' OD2' ' HB2' ' B' ' 85' ' ' ALA . 16.6 m-20 -77.06 -30.03 55.41 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.228 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 131' ' ' LYS . . . . . 0.523 ' HG2' HD11 ' B' ' 82' ' ' LEU . 2.9 mmtt -56.04 -50.55 70.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.679 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 132' ' ' ILE . . . . . 0.617 HD12 ' O ' ' B' ' 128' ' ' LEU . 2.9 mt -75.87 -39.02 37.5 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.606 179.644 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 133' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -65.2 -30.04 70.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.151 -179.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 85.6 m -96.78 -58.7 1.97 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.913 -179.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 2.1 mmtt -56.5 -60.57 3.34 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.012 -179.528 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.622 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 7' ' ' ARG . . . . . 0.847 ' O ' HG23 ' C' ' 11' ' ' THR . 1.1 ttm-85 . . . . . 0 N--CA 1.45 -0.438 0 CA-C-O 120.354 0.121 . . . . 0.0 110.692 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 8' ' ' LYS . . . . . 0.673 ' CB ' HG21 ' C' ' 53' ' ' ILE . 0.0 OUTLIER -73.6 -21.65 60.26 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 178.441 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 9' ' ' GLN . . . . . 0.423 ' NE2' ' HD2' ' C' ' 8' ' ' LYS . 2.0 mp0 -75.0 -43.09 55.85 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.672 178.777 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 10' ' ' ASP . . . . . 0.692 ' HB2' HG22 ' D' ' 116' ' ' VAL . 8.3 p30 -72.83 -28.35 62.49 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.028 179.34 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 11' ' ' THR . . . . . 0.847 HG23 ' O ' ' C' ' 7' ' ' ARG . 42.7 p -68.24 -44.6 75.33 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.661 179.745 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -66.7 -44.94 80.34 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 120.902 0.382 . . . . 0.0 110.603 179.637 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 13' ' ' ARG . . . . . 0.407 ' HB3' ' CZ ' ' D' ' 112' ' ' PHE . 7.8 ttm-85 -66.21 -25.25 66.83 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.153 179.297 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 14' ' ' ALA . . . . . 0.937 ' CB ' HG11 ' D' ' 116' ' ' VAL . . . -78.73 -55.3 5.28 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 178.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 15' ' ' LEU . . . . . 0.867 ' HA ' HD12 ' C' ' 18' ' ' LEU . 0.3 OUTLIER -62.53 -28.38 69.81 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.606 179.374 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 16' ' ' HIS . . . . . . . . . . . . . 19.5 t-80 -72.96 -45.58 57.18 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 178.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . 0.936 HD22 ' CE1' ' C' ' 21' ' ' TYR . 1.8 mt -62.2 -36.98 83.58 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.395 178.703 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . 0.934 ' CD2' HG11 ' D' ' 92' ' ' VAL . 43.5 mt -60.45 -50.72 72.46 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.069 -0.969 . . . . 0.0 110.853 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . 0.454 ' O ' ' HG3' ' C' ' 22' ' ' ARG . 1.9 tt0 -58.78 -35.07 72.21 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.121 0.486 . . . . 0.0 110.787 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 20' ' ' GLU . . . . . 0.508 ' O ' ' HG3' ' C' ' 24' ' ' LYS . 5.3 mm-40 -75.35 -38.25 60.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.325 179.544 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 21' ' ' TYR . . . . . 0.936 ' CE1' HD22 ' C' ' 17' ' ' LEU . 14.7 m-30 -67.3 -48.91 66.23 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.678 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 22' ' ' ARG . . . . . 0.454 ' HG3' ' O ' ' C' ' 19' ' ' GLU . 0.0 OUTLIER -57.58 -43.38 84.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.881 0.372 . . . . 0.0 110.36 179.348 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 16.0 p -59.49 -35.37 73.99 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.761 179.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 24' ' ' LYS . . . . . 0.508 ' HG3' ' O ' ' C' ' 20' ' ' GLU . 0.0 OUTLIER -109.34 15.72 22.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.471 -179.933 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 25' ' ' LEU . . . . . 0.811 HD12 HD11 ' C' ' 37' ' ' ILE . 0.0 OUTLIER -105.28 -64.5 1.13 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.12 0.486 . . . . 0.0 110.101 179.585 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . 0.465 ' OG ' ' CG ' ' C' ' 34' ' ' ARG . 0.9 OUTLIER -59.6 -158.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.06 -179.572 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 27' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 60.39 28.95 18.61 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 120.952 0.406 . . . . 0.0 110.419 -179.696 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 28' ' ' THR . . . . . 0.686 HG23 ' H ' ' C' ' 29' ' ' GLU . 3.5 t -150.01 -59.29 0.2 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.717 -179.595 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 29' ' ' GLU . . . . . 0.686 ' H ' HG23 ' C' ' 28' ' ' THR . 17.3 pt-20 -175.31 28.12 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.267 -0.878 . . . . 0.0 111.252 -179.492 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -140.72 43.55 1.84 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.057 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.79 -55.11 38.39 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.436 0.636 . . . . 0.0 110.503 179.796 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -52.74 -42.57 65.05 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.636 178.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 33' ' ' LEU . . . . . 0.536 ' CD2' HD11 ' C' ' 25' ' ' LEU . 5.1 tp -57.06 -35.44 69.36 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.977 178.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 34' ' ' ARG . . . . . 0.465 ' CG ' ' OG ' ' C' ' 26' ' ' SER . 1.4 ttt180 -60.34 -45.16 94.43 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.511 178.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 15.0 m -59.12 -35.06 72.8 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.239 179.15 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 36' ' ' SER . . . . . 0.517 ' O ' ' HG2' ' C' ' 39' ' ' ARG . 0.1 OUTLIER -70.06 -48.68 56.82 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.059 0.457 . . . . 0.0 110.306 179.507 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 37' ' ' ILE . . . . . 0.811 HD11 HD12 ' C' ' 25' ' ' LEU . 69.0 mt -60.33 -38.35 77.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.856 178.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 38' ' ' GLU . . . . . 0.406 ' HA ' HG12 ' C' ' 41' ' ' ILE . 1.4 mt-10 -64.7 -51.08 64.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.154 -0.93 . . . . 0.0 112.115 -179.635 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 39' ' ' ARG . . . . . 0.73 ' HG3' ' HB1' ' D' ' 88' ' ' ALA . 4.3 ptp180 -55.17 -40.26 70.49 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.19 -179.53 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . 0.456 ' CG1' ' CD1' ' C' ' 44' ' ' PHE . 92.4 t -62.21 -40.25 86.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 178.28 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 41' ' ' ILE . . . . . 0.652 HG12 ' O ' ' C' ' 37' ' ' ILE . 11.6 mm -55.38 -57.28 7.95 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.178 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.36 179.438 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 13.8 t -59.96 -47.4 85.96 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.917 0.389 . . . . 0.0 110.713 -179.336 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 43' ' ' ILE . . . . . 0.459 ' O ' ' CG ' ' C' ' 49' ' ' PHE . 18.0 mt -60.34 -34.39 57.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.155 179.306 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 44' ' ' PHE . . . . . 0.722 ' HB3' HD22 ' C' ' 15' ' ' LEU . 1.6 m-85 -71.99 -57.19 4.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.511 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 45' ' ' GLN . . . . . 0.439 ' NE2' HG22 ' C' ' 41' ' ' ILE . 4.3 pt20 -80.48 1.61 28.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.576 -179.35 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 46' ' ' SER . . . . . 0.473 ' HG ' ' HH ' ' D' ' 129' ' ' TYR . 0.5 OUTLIER -48.2 148.44 1.83 Allowed 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 121.042 0.449 . . . . 0.0 111.231 -179.696 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -64.07 -40.35 96.06 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.012 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . 0.857 ' O ' HD12 ' C' ' 48' ' ' LEU . 1.0 OUTLIER -79.49 -44.57 21.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.104 -179.859 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 49' ' ' PHE . . . . . 0.63 ' HE1' HD11 ' C' ' 53' ' ' ILE . 19.2 t80 -51.21 -53.52 34.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.16 -179.602 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -60.42 -40.33 90.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.455 179.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.7 -39.41 84.5 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.314 -0.403 . . . . 0.0 109.992 179.106 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 52' ' ' LEU . . . . . 0.558 HD13 ' O ' ' D' ' 125' ' ' LEU . 1.7 mt -61.15 -43.57 98.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.749 178.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 53' ' ' ILE . . . . . 0.731 HG12 HD13 ' D' ' 125' ' ' LEU . 46.8 mt -54.69 -46.77 73.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.367 179.117 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -59.0 -39.57 82.25 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.566 179.62 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 55' ' ' ILE . . . . . 0.715 HG22 ' HB2' ' C' ' 59' ' ' TYR . 64.2 mt -58.14 -43.06 84.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.842 179.724 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.61 -22.9 5.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.818 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 57' ' ' GLU . . . . . 0.4 ' O ' ' CG ' ' C' ' 58' ' ' PHE . 11.7 pt-20 -47.87 -30.96 4.53 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.724 0.297 . . . . 0.0 111.549 -179.686 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 58' ' ' PHE . . . . . 0.408 ' CB ' ' HB2' ' A' ' 65' ' ' ASP . 46.0 m-85 -158.13 26.66 0.26 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.704 -179.64 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 59' ' ' TYR . . . . . 0.92 ' CD2' HD21 ' B' ' 128' ' ' LEU . 49.4 m-85 -132.1 71.66 1.48 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.851 0.358 . . . . 0.0 110.802 179.695 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 60' ' ' GLU . . . . . 0.42 ' HB2' ' HB ' ' A' ' 62' ' ' THR . 2.2 mm-40 -58.14 95.18 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.753 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 61' ' ' VAL . . . . . 0.456 ' CG2' HG21 ' D' ' 124' ' ' THR . 0.0 OUTLIER -72.39 97.28 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.965 0.412 . . . . 0.0 110.645 179.906 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 62' ' ' THR . . . . . 0.403 ' HB ' ' HB2' ' A' ' 60' ' ' GLU . 1.3 m -85.6 110.94 19.61 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.085 -179.624 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 63' ' ' LEU . . . . . 0.639 HD21 HD22 ' C' ' 66' ' ' ASN . 0.3 OUTLIER -81.55 137.74 35.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.006 179.247 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 64' ' ' LEU . . . . . 0.635 HD23 ' N ' ' C' ' 64' ' ' LEU . 0.1 OUTLIER -123.21 -41.61 2.3 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 -179.023 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 65' ' ' ASP . . . . . 0.441 ' HB2' ' CE1' ' A' ' 58' ' ' PHE . 0.1 OUTLIER -156.08 15.21 0.34 Allowed 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 -179.111 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 66' ' ' ASN . . . . . 0.639 HD22 HD21 ' C' ' 63' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 CA-C-O 120.851 0.357 . . . . 0.0 110.437 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.539 0 N-CA-C 109.622 -1.391 . . . . 0.0 109.622 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 82' ' ' LEU . . . . . 0.456 HD23 ' O ' ' D' ' 82' ' ' LEU . 8.5 tt -87.29 -26.68 23.32 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 114.255 -0.973 . . . . 0.0 110.049 178.624 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 83' ' ' LEU . . . . . 0.924 HD23 ' H ' ' D' ' 84' ' ' ALA . 0.8 OUTLIER -66.03 -38.01 87.34 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.341 179.741 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' D' D ' 84' ' ' ALA . . . . . 1.107 ' HB1' ' HB2' ' D' ' 88' ' ' ALA . . . -81.11 -16.87 51.84 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.633 -179.072 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 85' ' ' ALA . . . . . 0.82 ' HB1' ' CB ' ' D' ' 126' ' ' LEU . . . -52.14 -23.14 4.98 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.219 -0.592 . . . . 0.0 109.658 179.057 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 86' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -127.78 -37.51 1.94 Allowed 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.81 178.611 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 87' ' ' ARG . . . . . 0.628 ' HB3' ' O ' ' D' ' 83' ' ' LEU . 35.9 ttt85 -69.51 -35.8 75.84 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.793 179.721 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 88' ' ' ALA . . . . . 1.107 ' HB2' ' HB1' ' D' ' 84' ' ' ALA . . . -75.44 -42.75 52.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.918 -179.629 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 89' ' ' VAL . . . . . 0.74 HG13 ' CD1' ' D' ' 117' ' ' PHE . 42.9 t -70.98 -36.49 63.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.16 179.342 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 90' ' ' SER . . . . . 0.443 ' HA ' ' HB2' ' D' ' 93' ' ' LEU . 86.4 p -75.2 -27.42 59.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.475 179.131 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 91' ' ' GLN . . . . . 0.405 ' HB3' ' HB3' ' C' ' 36' ' ' SER . 5.9 mt-30 -65.46 -57.3 8.62 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.683 179.49 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 92' ' ' VAL . . . . . 0.934 HG11 ' CD2' ' C' ' 18' ' ' LEU . 11.7 t -66.03 -27.98 42.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.884 179.029 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 93' ' ' LEU . . . . . 0.706 HD21 ' HA ' ' D' ' 114' ' ' HIS . 3.1 mt -65.39 -32.9 74.77 Favored 'General case' 0 N--CA 1.458 -0.047 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.056 179.665 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.05 -38.0 18.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.764 0.316 . . . . 0.0 111.263 -179.533 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 95' ' ' SER . . . . . 0.473 ' HB2' HD11 ' C' ' 33' ' ' LEU . 0.3 OUTLIER -80.13 -22.42 42.12 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.244 -0.435 . . . . 0.0 112.169 -179.275 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' D' D ' 96' ' ' LEU . . . . . 0.92 HD22 HD22 ' D' ' 110' ' ' LEU . 0.2 OUTLIER -38.32 -52.28 1.52 Allowed 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -179.16 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -67.62 -30.5 70.09 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.204 -179.288 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 98' ' ' GLU . . . . . 0.807 ' O ' ' HB3' ' D' ' 101' ' ' ALA . 0.1 OUTLIER -69.83 -34.59 73.86 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 177.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' D' D ' 99' ' ' ILE . . . . . 0.61 HG23 HG21 ' D' ' 103' ' ' THR . 37.7 mt -61.51 -49.35 84.78 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.785 0 CA-C-N 114.595 -1.184 . . . . 0.0 109.646 178.452 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 100' ' ' HIS . . . . . 0.794 ' HB2' HD11 ' D' ' 110' ' ' LEU . 1.9 t-160 -55.98 -34.84 66.11 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 178.105 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 101' ' ' ALA . . . . . 0.807 ' HB3' ' O ' ' D' ' 98' ' ' GLU . . . -55.37 -45.82 76.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.413 -1.267 . . . . 0.0 111.927 179.405 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 102' ' ' LEU . . . . . 0.804 HD21 ' OE2' ' D' ' 98' ' ' GLU . 0.4 OUTLIER -117.18 28.52 8.45 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.577 -0.738 . . . . 0.0 112.757 -177.452 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' D' D ' 103' ' ' THR . . . . . 0.656 HG23 HD12 ' D' ' 102' ' ' LEU . 45.0 p -141.49 -35.89 0.45 Allowed 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 121.018 -0.273 . . . . 0.0 111.262 179.646 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 3.6 t0 74.87 27.53 1.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.003 0.43 . . . . 0.0 110.356 -179.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 105' ' ' SER . . . . . 0.436 ' HB3' ' CZ ' ' C' ' 21' ' ' TYR . 13.8 m -65.86 -10.18 35.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.281 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 106' ' ' SER . . . . . 0.42 ' CB ' ' O ' ' D' ' 105' ' ' SER . 3.9 t 81.63 121.7 0.05 OUTLIER 'General case' 0 C--O 1.233 0.196 0 CA-C-O 121.049 0.452 . . . . 0.0 110.996 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -54.03 -23.85 15.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.868 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.5 -54.23 48.01 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.055 0.455 . . . . 0.0 109.878 179.382 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 109' ' ' ASP . . . . . 0.533 ' O ' HD12 ' D' ' 113' ' ' LEU . 8.6 m-20 -59.85 -40.37 88.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.65 178.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 110' ' ' LEU . . . . . 0.92 HD22 HD22 ' D' ' 96' ' ' LEU . 26.5 mt -59.66 -48.04 83.25 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.008 178.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 111' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -51.51 -44.72 62.66 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.788 179.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 112' ' ' PHE . . . . . 0.664 ' O ' HG23 ' D' ' 116' ' ' VAL . 4.7 t80 -60.51 -42.71 96.96 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.762 179.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 113' ' ' LEU . . . . . 0.697 HD11 ' CD1' ' C' ' 17' ' ' LEU . 0.4 OUTLIER -71.93 -37.9 69.95 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.401 -179.517 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' D' D ' 114' ' ' HIS . . . . . 0.706 ' HA ' HD21 ' D' ' 93' ' ' LEU . 98.7 m-70 -58.28 -34.38 70.47 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 178.302 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 115' ' ' SER . . . . . . . . . . . . . 22.5 t -74.75 -37.15 62.56 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 178.366 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 116' ' ' VAL . . . . . 0.937 HG11 ' CB ' ' C' ' 14' ' ' ALA . 43.0 t -61.87 -26.45 39.94 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 CA-C-N 115.261 -0.881 . . . . 0.0 109.873 178.451 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 117' ' ' PHE . . . . . 0.74 ' CD1' HG13 ' D' ' 89' ' ' VAL . 33.3 m-85 -99.14 -30.45 12.29 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.996 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 118' ' ' GLN . . . . . 0.427 ' NE2' HD11 ' D' ' 93' ' ' LEU . 0.0 OUTLIER -65.1 -28.79 69.69 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.377 -179.486 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -43.09 128.89 4.56 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.961 0.41 . . . . 0.0 111.64 -179.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 120' ' ' GLN . . . . . . . . . . . . . 9.1 tp60 -69.91 -49.02 56.15 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.699 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 121' ' ' HIS . . . . . . . . . . . . . 54.2 m80 -55.87 -34.1 65.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.432 179.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 122' ' ' LEU . . . . . 0.855 HD22 ' O ' ' D' ' 116' ' ' VAL . 52.6 tp -55.98 -49.28 74.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.139 179.56 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 123' ' ' HIS . . . . . 0.792 ' HA ' HD12 ' D' ' 126' ' ' LEU . 11.0 m-70 -53.01 -26.94 17.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.227 179.096 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 124' ' ' THR . . . . . 0.712 HG22 HD11 ' D' ' 128' ' ' LEU . 6.5 m -75.98 -33.83 59.76 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.881 179.239 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 125' ' ' LEU . . . . . 0.776 HD12 HD12 ' D' ' 122' ' ' LEU . 16.2 mt -65.37 -44.71 86.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.275 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 126' ' ' LEU . . . . . 0.82 ' CB ' ' HB1' ' D' ' 85' ' ' ALA . 0.2 OUTLIER -71.59 -39.48 70.51 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.694 0.283 . . . . 0.0 110.961 -179.737 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' D' D ' 127' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -59.84 -53.12 61.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.082 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 128' ' ' LEU . . . . . 0.712 HD11 HG22 ' D' ' 124' ' ' THR . 4.7 mt -70.81 -33.15 70.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.835 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 129' ' ' TYR . . . . . 0.473 ' HH ' ' HG ' ' C' ' 46' ' ' SER . 2.2 t80 -55.99 -51.83 66.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.045 0.45 . . . . 0.0 110.688 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 130' ' ' ASP . . . . . 0.66 ' OD2' ' HB2' ' D' ' 85' ' ' ALA . 39.9 m-20 -76.86 -29.88 56.05 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.149 179.571 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 131' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.41 -48.61 81.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.909 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 132' ' ' ILE . . . . . 0.596 HD12 ' O ' ' D' ' 128' ' ' LEU . 2.9 mt -74.98 -39.5 44.55 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 CA-C-O 121.024 0.44 . . . . 0.0 110.616 179.709 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 133' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -68.5 -26.61 65.55 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.957 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 134' ' ' THR . . . . . 0.628 HG22 ' O ' ' D' ' 134' ' ' THR . 62.0 m -109.99 40.58 1.89 Allowed 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 121.118 0.485 . . . . 0.0 110.95 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 135' ' ' LYS . . . . . 0.605 ' HG2' ' HB2' ' A' ' 51' ' ' ALA . 1.5 tptt -120.53 -40.66 2.65 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.764 -179.747 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 136' ' ' SER . . . . . . . . . . . . . 90.5 p . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.12 -179.93 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.408 0 CA-C-O 120.631 0.253 . . . . 0.0 110.322 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.6 tttm -63.73 -39.17 93.63 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 179.059 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 53.6 mm-40 -74.49 -28.94 61.23 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.926 178.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.632 ' HB3' HG22 ' B' ' 116' ' ' VAL . 96.0 m-20 -79.79 -30.05 40.51 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.473 179.591 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.696 HG22 ' CE1' ' A' ' 44' ' ' PHE . 1.5 p -73.03 -40.4 65.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.52 179.59 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.53 ' HA ' HD23 ' A' ' 15' ' ' LEU . 0.7 OUTLIER -71.06 -43.14 68.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.246 179.517 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.5 tpm_? -71.2 -24.01 62.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.99 179.121 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.791 ' CB ' HG11 ' B' ' 116' ' ' VAL . . . -78.62 -53.65 6.95 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.64 179.049 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.847 ' O ' HD12 ' A' ' 41' ' ' ILE . 0.4 OUTLIER -63.24 -28.73 70.23 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.858 179.637 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -73.87 -44.26 55.99 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-O 121.067 0.461 . . . . 0.0 110.087 179.151 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.908 HD22 ' CE1' ' A' ' 21' ' ' TYR . 1.4 mt -61.5 -49.44 76.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.69 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 1.032 HD22 HG11 ' B' ' 92' ' ' VAL . 1.2 mt -61.94 -35.7 79.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.454 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.501 ' HG3' HG21 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -58.02 -43.75 86.91 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.248 0.547 . . . . 0.0 110.063 179.197 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.42 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 5.3 mt-10 -73.37 -33.22 64.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.847 179.065 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.908 ' CE1' HD22 ' A' ' 17' ' ' LEU . 6.8 m-30 -64.29 -48.29 76.26 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.389 179.698 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.535 ' HB3' HD13 ' A' ' 37' ' ' ILE . 3.8 ptm180 -59.3 -44.03 92.57 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.779 0.323 . . . . 0.0 110.403 179.533 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.429 ' N ' ' HG3' ' A' ' 22' ' ' ARG . 26.8 m -57.91 -32.86 68.15 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.362 179.279 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.42 ' HG3' ' O ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -111.59 13.89 21.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.177 179.721 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.797 ' CD1' HD11 ' A' ' 37' ' ' ILE . 0.2 OUTLIER -100.18 -64.1 1.07 Allowed 'General case' 0 CA--C 1.52 -0.201 0 CA-C-O 121.082 0.468 . . . . 0.0 110.367 179.699 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.424 ' HB2' ' HB2' ' A' ' 34' ' ' ARG . 35.6 t -64.91 -148.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.387 -179.742 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.41 ' OE1' ' NH1' ' A' ' 31' ' ' ARG . 1.0 OUTLIER 54.79 24.88 6.04 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 121.159 0.504 . . . . 0.0 110.399 -179.548 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.606 HG23 ' N ' ' A' ' 29' ' ' GLU . 6.2 t -149.01 -55.36 0.19 Allowed 'General case' 0 CA--C 1.516 -0.329 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.516 -179.218 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.606 ' N ' HG23 ' A' ' 28' ' ' THR . 16.6 pt-20 -176.59 28.03 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.398 -179.484 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.484 ' HB3' ' HB3' ' A' ' 33' ' ' LEU . 0.1 OUTLIER -138.73 53.69 1.77 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.901 0.381 . . . . 0.0 110.713 -179.778 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.41 ' NH1' ' OE1' ' A' ' 27' ' ' GLN . 15.9 mmm180 -66.31 -53.39 37.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.15 0.5 . . . . 0.0 110.03 179.694 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 20.5 tp60 -59.98 -47.42 85.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.518 178.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.693 HD21 ' HB3' ' B' ' 95' ' ' SER . 13.7 tp -55.27 -33.58 63.33 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.121 178.803 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.693 ' HA ' HD12 ' A' ' 37' ' ' ILE . 6.4 ttp180 -60.38 -48.96 79.49 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.285 179.033 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.4 m -57.96 -31.56 66.99 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.256 178.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.456 ' HB2' ' HB3' ' B' ' 91' ' ' GLN . 1.1 p -65.89 -51.52 57.99 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.093 0.473 . . . . 0.0 110.547 179.536 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.84 HG23 ' HB3' ' A' ' 18' ' ' LEU . 6.2 mt -55.31 -42.94 69.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.263 0.554 . . . . 0.0 109.552 178.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -55.45 -43.68 75.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.986 -1.006 . . . . 0.0 110.835 179.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.454 ' HD2' ' HA ' ' A' ' 36' ' ' SER . 13.3 mtt180 -55.57 -50.39 70.2 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-O 121.309 0.576 . . . . 0.0 109.924 179.382 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.573 HG12 ' CD2' ' A' ' 44' ' ' PHE . 86.6 t -59.93 -34.17 55.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.478 179.707 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.847 HD12 ' O ' ' A' ' 15' ' ' LEU . 6.7 mm -70.24 -54.61 17.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.55 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 26.2 t -62.45 -47.96 81.75 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-O 120.849 0.357 . . . . 0.0 110.947 -179.134 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.808 HG23 ' CE2' ' B' ' 129' ' ' TYR . 8.7 mt -59.83 -32.92 50.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.206 179.502 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.787 ' HB3' HD22 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -71.95 -56.7 5.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.056 -0.52 . . . . 0.0 112.141 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.477 ' HG2' ' O ' ' A' ' 41' ' ' ILE . 5.8 pt20 -78.16 -0.65 29.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 112.002 -178.495 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.411 ' OG ' ' CE1' ' B' ' 129' ' ' TYR . 0.2 OUTLIER -51.62 130.96 29.36 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.824 0.345 . . . . 0.0 110.822 179.898 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -50.44 -34.55 25.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.569 -179.472 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.79 ' O ' HD12 ' A' ' 48' ' ' LEU . 1.7 tp -79.25 -43.55 23.52 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.261 -179.74 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.505 ' CE2' HD11 ' A' ' 53' ' ' ILE . 28.8 t80 -51.17 -54.61 23.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.691 0.281 . . . . 0.0 111.285 -179.597 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -54.09 -38.91 65.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.949 0.404 . . . . 0.0 110.712 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.639 ' CB ' HG23 ' D' ' 132' ' ' ILE . . . -58.94 -46.84 87.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.644 179.629 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.574 HD22 HD12 ' B' ' 128' ' ' LEU . 3.4 mt -60.32 -45.97 91.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.39 179.459 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.563 HG12 HD13 ' B' ' 125' ' ' LEU . 50.1 mt -54.45 -36.44 34.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.662 179.483 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.16 -36.1 74.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.255 179.344 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.736 HG22 ' HB2' ' A' ' 59' ' ' TYR . 99.7 mt -63.38 -43.42 98.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.722 179.597 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.465 HE21 HD21 ' B' ' 125' ' ' LEU . 4.0 tt0 -52.53 -22.18 4.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.49 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.421 ' O ' ' CD1' ' A' ' 58' ' ' PHE . 36.2 mt-10 -45.08 -34.57 2.64 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.394 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.493 ' CD1' ' HB2' ' C' ' 65' ' ' ASP . 27.7 m-85 -157.58 25.5 0.28 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.622 -179.715 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.858 ' CE2' HD11 ' C' ' 63' ' ' LEU . 11.6 m-85 -129.93 70.44 1.43 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.703 179.601 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.456 ' HB2' ' HB ' ' C' ' 62' ' ' THR . 1.5 mt-10 -58.58 94.48 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.837 0.351 . . . . 0.0 111.043 -179.769 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.611 HG12 HG13 ' C' ' 61' ' ' VAL . 0.0 OUTLIER -72.94 104.51 2.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.117 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.8 m -87.01 120.56 28.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.483 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.442 ' CD1' ' CE2' ' C' ' 59' ' ' TYR . 0.1 OUTLIER -91.41 129.64 37.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 179.897 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.664 ' N ' HD23 ' A' ' 64' ' ' LEU . 0.1 OUTLIER -117.65 -16.43 10.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.36 -179.716 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.13 -5.48 44.5 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.532 -0.303 . . . . 0.0 110.922 179.621 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.332 -0.174 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.39 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.483 0 N-CA-C 109.894 -1.282 . . . . 0.0 109.894 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.656 HD23 ' O ' ' B' ' 82' ' ' LEU . 9.3 tt -89.29 -26.39 21.17 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.18 -1.01 . . . . 0.0 110.195 178.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . 0.997 HD23 ' H ' ' B' ' 84' ' ' ALA . 0.7 OUTLIER -67.96 -39.18 83.42 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.959 -179.768 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.997 ' H ' HD23 ' B' ' 83' ' ' LEU . . . -75.47 -21.51 58.03 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.454 -178.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 85' ' ' ALA . . . . . 0.98 ' HB1' ' HB2' ' B' ' 126' ' ' LEU . . . -52.55 -24.61 8.52 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.134 0.492 . . . . 0.0 110.207 179.44 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -124.8 -42.39 2.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.544 178.697 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 87' ' ' ARG . . . . . 0.633 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 33.6 ttt85 -61.05 -46.63 89.93 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.195 178.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . 0.829 ' HB2' ' HB1' ' B' ' 84' ' ' ALA . . . -69.02 -46.06 68.94 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.843 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 89' ' ' VAL . . . . . 0.791 HG13 ' CD1' ' B' ' 117' ' ' PHE . 60.7 t -56.83 -50.34 75.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.519 179.416 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 15.6 t -70.93 -21.15 62.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.683 179.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 91' ' ' GLN . . . . . 0.456 ' HB3' ' HB2' ' A' ' 36' ' ' SER . 0.3 OUTLIER -67.51 -57.68 6.08 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-O 121.389 0.614 . . . . 0.0 110.073 179.744 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 92' ' ' VAL . . . . . 1.032 HG11 HD22 ' A' ' 18' ' ' LEU . 4.9 t -68.59 -27.97 38.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.157 179.33 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . 0.662 HD11 ' HB2' ' B' ' 117' ' ' PHE . 0.7 OUTLIER -70.88 -28.5 64.61 Favored 'General case' 0 C--O 1.231 0.096 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 179.411 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -88.08 -37.04 16.58 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.822 0.344 . . . . 0.0 111.465 -179.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 95' ' ' SER . . . . . 0.693 ' HB3' HD21 ' A' ' 33' ' ' LEU . 2.3 m -79.84 -16.76 54.81 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.233 -0.439 . . . . 0.0 112.0 -179.474 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . 0.897 HD22 ' CD2' ' B' ' 110' ' ' LEU . 0.1 OUTLIER -39.5 -52.14 2.14 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -179.447 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -65.4 -30.44 71.26 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.123 -179.189 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . 0.827 ' O ' ' HB3' ' B' ' 101' ' ' ALA . 0.1 OUTLIER -70.97 -35.98 72.37 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 178.334 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 99' ' ' ILE . . . . . 0.719 HG23 HG21 ' B' ' 103' ' ' THR . 59.2 mt -61.57 -49.32 84.87 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.718 0 CA-C-N 114.646 -1.161 . . . . 0.0 109.562 178.357 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . 0.46 ' HB2' ' CD1' ' B' ' 110' ' ' LEU . 8.6 t-160 -53.52 -37.5 62.85 Favored 'General case' 0 CA--C 1.516 -0.354 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 177.725 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . 0.827 ' HB3' ' O ' ' B' ' 98' ' ' GLU . . . -55.11 -44.95 75.44 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 113.889 -1.505 . . . . 0.0 111.973 179.437 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 102' ' ' LEU . . . . . 0.79 HD21 ' OE2' ' B' ' 98' ' ' GLU . 0.5 OUTLIER -121.36 31.37 6.35 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 113.229 0.825 . . . . 0.0 113.229 -177.218 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 103' ' ' THR . . . . . 0.719 HG21 HG23 ' B' ' 99' ' ' ILE . 44.2 p -146.19 -38.47 0.23 Allowed 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.843 -0.343 . . . . 0.0 111.622 179.439 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 1.8 t0 75.8 28.69 0.87 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.935 0.398 . . . . 0.0 110.18 -179.202 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 105' ' ' SER . . . . . 0.407 ' O ' ' CB ' ' B' ' 106' ' ' SER . 3.7 m -60.63 -15.2 25.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.551 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . 0.407 ' CB ' ' O ' ' B' ' 105' ' ' SER . 0.3 OUTLIER 79.11 127.25 0.05 OUTLIER 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 120.873 0.368 . . . . 0.0 110.643 -179.767 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . 0.535 ' HA ' HD12 ' B' ' 110' ' ' LEU . 3.3 mt-10 -57.48 -20.79 33.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.23 -179.759 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 10.1 mmtm -63.01 -55.39 26.09 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.995 0.426 . . . . 0.0 110.195 179.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 109' ' ' ASP . . . . . 0.689 ' O ' HD12 ' B' ' 113' ' ' LEU . 15.9 m-20 -66.42 -34.98 79.16 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.751 178.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 110' ' ' LEU . . . . . 0.897 ' CD2' HD22 ' B' ' 96' ' ' LEU . 14.3 mt -67.0 -37.23 83.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.37 179.369 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -65.41 -40.84 93.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.307 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 112' ' ' PHE . . . . . 0.526 ' O ' HG23 ' B' ' 116' ' ' VAL . 0.4 OUTLIER -60.6 -47.3 86.8 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.169 179.435 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 113' ' ' LEU . . . . . 0.719 HD11 ' CD1' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -68.97 -39.34 79.5 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.219 179.537 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 114' ' ' HIS . . . . . 0.698 ' HD2' HD12 ' B' ' 96' ' ' LEU . 0.2 OUTLIER -53.2 -38.82 63.19 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 178.939 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . 0.503 ' HA ' ' HB2' ' B' ' 118' ' ' GLN . 1.5 m -74.81 -34.79 62.43 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.613 178.594 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 116' ' ' VAL . . . . . 0.814 ' O ' HD22 ' B' ' 122' ' ' LEU . 29.5 t -56.23 -23.79 16.83 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.071 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.443 178.468 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 117' ' ' PHE . . . . . 0.791 ' CD1' HG13 ' B' ' 89' ' ' VAL . 68.9 m-85 -108.26 -20.27 13.2 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.183 179.375 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 118' ' ' GLN . . . . . 0.569 ' HG2' ' O ' ' B' ' 114' ' ' HIS . 14.7 mm-40 -61.13 -39.63 90.75 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-O 120.995 0.426 . . . . 0.0 110.596 179.433 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -44.23 138.63 2.96 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.966 -179.164 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -81.57 -42.88 19.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.44 179.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -55.91 -33.77 64.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.339 179.301 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . 0.814 HD22 ' O ' ' B' ' 116' ' ' VAL . 55.1 tp -55.38 -46.43 76.51 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.846 179.641 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 123' ' ' HIS . . . . . 0.679 ' HA ' ' CD1' ' B' ' 126' ' ' LEU . 0.0 OUTLIER -53.2 -28.08 24.89 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 121.165 0.507 . . . . 0.0 109.872 178.66 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 124' ' ' THR . . . . . 0.547 HG21 HG23 ' A' ' 61' ' ' VAL . 2.8 m -77.16 -32.62 56.34 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.167 179.381 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . 0.738 HD12 HD12 ' B' ' 122' ' ' LEU . 20.9 mt -68.2 -43.77 77.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.31 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . 0.98 ' HB2' ' HB1' ' B' ' 85' ' ' ALA . 0.2 OUTLIER -73.39 -37.18 66.05 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.735 179.925 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.68 -53.09 62.09 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.324 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . 0.863 HD21 ' CD2' ' C' ' 59' ' ' TYR . 4.5 mt -70.99 -35.15 71.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.145 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 129' ' ' TYR . . . . . 0.808 ' CE2' HG23 ' A' ' 43' ' ' ILE . 0.4 OUTLIER -55.17 -50.75 68.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.038 -179.451 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 130' ' ' ASP . . . . . 0.782 ' OD2' ' HB2' ' B' ' 85' ' ' ALA . 14.2 m-20 -75.72 -33.54 60.31 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.327 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -54.88 -50.14 69.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.04 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 132' ' ' ILE . . . . . 0.677 HD12 ' O ' ' B' ' 128' ' ' LEU . 2.0 mt -76.75 -38.69 30.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.968 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 133' ' ' ASN . . . . . 0.46 ' HB2' HD23 ' A' ' 48' ' ' LEU . 8.7 t-20 -65.79 -25.78 67.4 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.558 -179.207 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 134' ' ' THR . . . . . 0.698 HG22 ' HD3' ' B' ' 135' ' ' LYS . 90.1 m -78.97 -49.68 12.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.834 0.35 . . . . 0.0 110.824 -179.771 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 135' ' ' LYS . . . . . 0.698 ' HD3' HG22 ' B' ' 134' ' ' THR . 0.2 OUTLIER 165.57 -26.36 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.928 179.937 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 10.7 p . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.996 -179.829 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.203 0 CA-C-O 120.343 0.116 . . . . 0.0 110.726 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 8' ' ' LYS . . . . . 0.4 ' HG2' ' CG2' ' C' ' 53' ' ' ILE . 1.7 mmmm -69.13 -35.8 76.79 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 179.263 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -77.12 -30.67 55.32 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.518 178.428 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -79.49 -29.71 41.75 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.73 178.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 11' ' ' THR . . . . . 0.671 HG23 ' CD2' ' C' ' 44' ' ' PHE . 55.5 m -73.18 -50.43 22.59 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.126 179.382 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 12' ' ' GLN . . . . . 0.473 ' O ' ' HB2' ' C' ' 16' ' ' HIS . 0.6 OUTLIER -65.28 -35.72 81.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.109 179.375 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.55 -24.72 60.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.114 179.098 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 14' ' ' ALA . . . . . 0.732 ' CB ' HG11 ' D' ' 116' ' ' VAL . . . -78.57 -55.07 5.48 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 178.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 15' ' ' LEU . . . . . 0.744 ' O ' HD12 ' C' ' 41' ' ' ILE . 0.4 OUTLIER -61.01 -26.71 67.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.229 179.426 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 16' ' ' HIS . . . . . 0.473 ' HB2' ' O ' ' C' ' 12' ' ' GLN . 17.8 t-80 -73.86 -50.45 20.24 Favored 'General case' 0 CA--C 1.519 -0.23 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 178.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . 0.853 HD22 ' CZ ' ' C' ' 21' ' ' TYR . 1.0 OUTLIER -56.15 -39.25 72.02 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.345 178.693 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . 0.831 HD11 ' HZ ' ' D' ' 117' ' ' PHE . 50.3 mt -62.77 -44.52 95.96 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.641 -1.163 . . . . 0.0 110.822 179.587 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . 0.419 ' CG ' HG21 ' C' ' 41' ' ' ILE . 3.9 mt-10 -59.15 -34.93 72.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.982 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 20' ' ' GLU . . . . . 0.423 ' O ' ' HG3' ' C' ' 24' ' ' LYS . 1.0 OUTLIER -75.5 -39.99 57.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.973 0.416 . . . . 0.0 110.504 179.866 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 21' ' ' TYR . . . . . 0.853 ' CZ ' HD22 ' C' ' 17' ' ' LEU . 21.9 m-85 -66.65 -47.43 72.56 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.631 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 22' ' ' ARG . . . . . 0.529 ' HG3' ' N ' ' C' ' 23' ' ' SER . 0.0 OUTLIER -57.8 -48.26 80.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.783 179.808 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 23' ' ' SER . . . . . 0.529 ' N ' ' HG3' ' C' ' 22' ' ' ARG . 1.3 p -56.5 -37.2 70.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.033 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 24' ' ' LYS . . . . . 0.454 ' NZ ' ' HB ' ' D' ' 103' ' ' THR . 0.0 OUTLIER -101.52 8.73 41.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.448 179.886 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 25' ' ' LEU . . . . . 0.878 HD12 HD11 ' C' ' 37' ' ' ILE . 0.2 OUTLIER -93.38 -62.56 1.35 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.041 0.448 . . . . 0.0 111.483 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . 0.686 ' HB2' ' HA ' ' C' ' 31' ' ' ARG . 27.7 p -58.45 -18.36 28.04 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.706 -0.679 . . . . 0.0 112.301 -178.586 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 27' ' ' GLN . . . . . 0.424 ' O ' ' HB ' ' C' ' 28' ' ' THR . 1.1 mm100 -76.4 51.34 0.71 Allowed 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.465 -179.272 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 28' ' ' THR . . . . . 0.484 HG23 ' N ' ' C' ' 29' ' ' GLU . 3.1 t -176.15 -55.74 0.01 OUTLIER 'General case' 0 C--N 1.334 -0.09 0 CA-C-O 120.683 0.278 . . . . 0.0 111.724 179.299 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 29' ' ' GLU . . . . . 0.484 ' N ' HG23 ' C' ' 28' ' ' THR . 17.5 pt-20 -178.01 26.33 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.752 -179.554 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 30' ' ' ASP . . . . . 0.465 ' HB2' HD22 ' C' ' 25' ' ' LEU . 5.3 m-20 -131.81 50.16 2.26 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.891 -179.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . 0.686 ' HA ' ' HB2' ' C' ' 26' ' ' SER . 22.3 mmm180 -66.92 -51.33 56.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.487 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 8.0 tp60 -59.12 -45.35 91.13 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.229 0.538 . . . . 0.0 109.774 178.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 33' ' ' LEU . . . . . 0.738 HD21 ' HB3' ' D' ' 95' ' ' SER . 7.2 tp -55.56 -37.34 67.88 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.352 179.022 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 34' ' ' ARG . . . . . 0.663 ' HB2' ' HB3' ' C' ' 26' ' ' SER . 6.7 ttt180 -60.13 -42.28 94.47 Favored 'General case' 0 CA--C 1.516 -0.346 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 178.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 10.8 t -55.72 -39.92 71.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.969 178.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 36' ' ' SER . . . . . 0.423 ' O ' ' HB2' ' C' ' 39' ' ' ARG . 2.2 m -65.55 -51.52 59.26 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.244 179.13 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 37' ' ' ILE . . . . . 0.878 HD11 HD12 ' C' ' 25' ' ' LEU . 40.6 mt -57.13 -36.39 51.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 178.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -62.36 -40.74 97.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.143 179.314 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 39' ' ' ARG . . . . . 0.651 ' HB3' ' HB1' ' D' ' 88' ' ' ALA . 17.6 mtt180 -55.51 -50.49 69.82 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.426 179.075 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . 0.551 ' O ' ' HB2' ' C' ' 44' ' ' PHE . 19.7 t -61.06 -30.73 48.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.87 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 41' ' ' ILE . . . . . 0.744 HD12 ' O ' ' C' ' 15' ' ' LEU . 12.5 mm -69.14 -51.76 40.33 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 N-CA-C 111.827 0.306 . . . . 0.0 111.827 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 11.4 t -65.38 -48.97 71.05 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-O 120.927 0.394 . . . . 0.0 111.199 -178.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 43' ' ' ILE . . . . . 0.639 HG23 ' CD2' ' D' ' 129' ' ' TYR . 9.2 mt -59.47 -34.37 54.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.543 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.54 179.759 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 44' ' ' PHE . . . . . 0.691 ' HB3' HD22 ' C' ' 15' ' ' LEU . 3.0 m-85 -71.9 -54.05 11.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.086 -0.506 . . . . 0.0 112.26 -179.694 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 45' ' ' GLN . . . . . 0.469 ' HG2' ' O ' ' C' ' 41' ' ' ILE . 3.7 pt20 -79.5 -0.96 35.4 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -178.427 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.41 141.78 18.96 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.839 0.352 . . . . 0.0 110.853 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -60.59 -39.69 89.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.532 -179.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . 0.868 ' O ' HD12 ' C' ' 48' ' ' LEU . 1.2 tp -77.75 -43.04 32.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.17 -179.684 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 49' ' ' PHE . . . . . 0.776 ' CE2' HD11 ' C' ' 53' ' ' ILE . 82.8 t80 -50.92 -54.26 25.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.08 -179.417 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 41.5 mm-40 -55.51 -35.81 66.02 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.875 0.369 . . . . 0.0 110.446 179.424 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 51' ' ' ALA . . . . . 0.49 ' CB ' HG23 ' B' ' 132' ' ' ILE . . . -58.91 -48.6 80.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.471 179.436 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 52' ' ' LEU . . . . . 0.462 HD21 ' HB3' ' D' ' 128' ' ' LEU . 5.9 mt -57.61 -43.3 84.64 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.077 179.192 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 53' ' ' ILE . . . . . 0.776 HD11 ' CE2' ' C' ' 49' ' ' PHE . 37.0 mt -56.08 -36.03 43.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.164 179.18 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.07 -28.76 62.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.545 179.328 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 55' ' ' ILE . . . . . 0.615 HG22 ' HB2' ' C' ' 59' ' ' TYR . 70.2 mt -74.82 -45.15 44.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.158 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 56' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -49.71 -22.48 1.39 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.887 -179.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 57' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -43.21 -46.6 6.14 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.742 0.306 . . . . 0.0 111.481 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 58' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -145.33 33.09 1.08 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.017 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 59' ' ' TYR . . . . . 0.863 ' CD2' HD21 ' B' ' 128' ' ' LEU . 52.6 m-85 -133.99 69.74 1.46 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.512 179.623 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -60.4 96.18 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 61' ' ' VAL . . . . . 0.611 HG13 HG12 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -72.98 96.97 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.555 179.897 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 62' ' ' THR . . . . . 0.456 ' HB ' ' HB2' ' A' ' 60' ' ' GLU . 11.8 m -74.07 119.98 19.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.895 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 63' ' ' LEU . . . . . 0.858 HD11 ' CE2' ' A' ' 59' ' ' TYR . 1.1 mp -89.8 127.2 35.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.668 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 64' ' ' LEU . . . . . 0.621 HD23 ' N ' ' C' ' 64' ' ' LEU . 0.2 OUTLIER -120.0 -14.98 8.84 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 179.928 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 65' ' ' ASP . . . . . 0.493 ' HB2' ' CD1' ' A' ' 58' ' ' PHE . 8.4 t70 -136.5 6.49 3.0 Favored 'General case' 0 C--O 1.232 0.169 0 N-CA-C 112.219 0.451 . . . . 0.0 112.219 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 66' ' ' ASN . . . . . 0.569 ' HB2' ' CD2' ' C' ' 63' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.358 0 CA-C-O 120.547 0.213 . . . . 0.0 111.311 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 81' ' ' GLY . . . . . 0.64 ' O ' ' HB2' ' D' ' 85' ' ' ALA . . . . . . . . 0 N--CA 1.448 -0.512 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 82' ' ' LEU . . . . . 0.82 ' N ' HD23 ' D' ' 82' ' ' LEU . 0.4 OUTLIER -73.66 -36.31 65.35 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.366 0.603 . . . . 0.0 109.411 178.868 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D ' 83' ' ' LEU . . . . . 0.868 HD23 ' H ' ' D' ' 84' ' ' ALA . 0.4 OUTLIER -55.8 -42.4 75.58 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.251 -179.85 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D ' 84' ' ' ALA . . . . . 0.893 ' HB1' ' HB2' ' D' ' 88' ' ' ALA . . . -113.6 1.57 15.0 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.675 -0.693 . . . . 0.0 112.405 -177.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 85' ' ' ALA . . . . . 0.79 ' O ' HD13 ' D' ' 126' ' ' LEU . . . -53.08 -25.92 14.46 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 108.145 -1.058 . . . . 0.0 108.145 177.391 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 86' ' ' GLU . . . . . 0.446 ' HG3' ' CE1' ' D' ' 123' ' ' HIS . 0.6 OUTLIER -120.25 -31.37 4.4 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 114.642 -1.163 . . . . 0.0 109.533 178.126 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D ' 87' ' ' ARG . . . . . 0.882 ' HB2' ' HA ' ' D' ' 84' ' ' ALA . 0.9 OUTLIER -66.83 -53.95 27.41 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 121.162 0.506 . . . . 0.0 109.947 179.04 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D ' 88' ' ' ALA . . . . . 0.893 ' HB2' ' HB1' ' D' ' 84' ' ' ALA . . . -56.3 -41.63 76.25 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.497 179.729 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 89' ' ' VAL . . . . . 0.867 HG13 ' CD1' ' D' ' 117' ' ' PHE . 98.7 t -68.37 -50.37 57.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.804 178.694 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 5.5 t -62.7 -24.85 67.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.537 179.303 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 91' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -67.54 -51.02 55.8 Favored 'General case' 0 CA--C 1.516 -0.354 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 179.382 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 92' ' ' VAL . . . . . 0.798 HG11 ' CD2' ' C' ' 18' ' ' LEU . 11.9 t -74.35 -28.49 22.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.894 178.791 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 93' ' ' LEU . . . . . 0.888 HD21 ' HA ' ' D' ' 114' ' ' HIS . 1.4 mt -69.16 -27.07 65.2 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.835 179.249 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.31 -43.42 10.95 Favored 'General case' 0 C--N 1.334 -0.093 0 CA-C-O 120.925 0.393 . . . . 0.0 111.175 -179.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 95' ' ' SER . . . . . 0.738 ' HB3' HD21 ' C' ' 33' ' ' LEU . 0.5 OUTLIER -79.69 -16.93 54.79 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.993 -179.494 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D ' 96' ' ' LEU . . . . . 0.649 HD22 HD22 ' D' ' 110' ' ' LEU . 0.1 OUTLIER -41.22 -50.49 3.6 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.022 0.439 . . . . 0.0 111.853 -179.526 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D ' 97' ' ' GLU . . . . . 0.422 ' HA ' HD13 ' D' ' 110' ' ' LEU . 51.5 mt-10 -68.94 -28.71 66.9 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.058 -179.623 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 98' ' ' GLU . . . . . 0.795 ' O ' ' HB3' ' D' ' 101' ' ' ALA . 0.2 OUTLIER -70.49 -34.61 72.55 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 178.119 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D ' 99' ' ' ILE . . . . . 0.83 HG12 HD11 ' C' ' 25' ' ' LEU . 73.0 mt -60.08 -49.57 83.54 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.681 0 CA-C-N 114.591 -1.186 . . . . 0.0 109.449 178.146 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 100' ' ' HIS . . . . . 0.885 ' HB2' HD11 ' D' ' 110' ' ' LEU . 1.8 t-160 -56.35 -34.95 67.11 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 178.232 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 101' ' ' ALA . . . . . 0.795 ' HB3' ' O ' ' D' ' 98' ' ' GLU . . . -55.67 -43.92 76.78 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.577 -1.192 . . . . 0.0 111.679 179.366 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 102' ' ' LEU . . . . . 0.676 HD12 HG23 ' D' ' 103' ' ' THR . 0.3 OUTLIER -118.4 24.83 10.69 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -177.529 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D ' 103' ' ' THR . . . . . 0.676 HG23 HD12 ' D' ' 102' ' ' LEU . 37.7 p -141.63 -23.7 0.72 Allowed 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.095 0.405 . . . . 0.0 112.095 179.748 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 1.8 t0 67.46 23.83 8.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.078 0.466 . . . . 0.0 110.557 -179.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 105' ' ' SER . . . . . 0.42 ' HB3' ' CZ ' ' C' ' 21' ' ' TYR . 32.7 m -62.3 -16.1 51.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.119 179.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 106' ' ' SER . . . . . . . . . . . . . 4.2 t 78.9 124.64 0.04 OUTLIER 'General case' 0 C--O 1.232 0.163 0 CA-C-O 121.017 0.437 . . . . 0.0 111.043 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -54.16 -24.17 17.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.854 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 4.8 mmtt -59.02 -54.56 45.76 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.026 0.441 . . . . 0.0 110.034 179.455 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 109' ' ' ASP . . . . . 0.479 ' O ' HD12 ' D' ' 113' ' ' LEU . 3.3 m-20 -61.5 -40.37 94.35 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.833 179.036 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 110' ' ' LEU . . . . . 0.885 HD11 ' HB2' ' D' ' 100' ' ' HIS . 83.9 mt -61.96 -39.85 93.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.351 179.323 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 111' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -60.06 -43.1 95.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.406 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 112' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -58.72 -47.25 85.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.174 179.563 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 113' ' ' LEU . . . . . 0.695 HD23 ' HB1' ' C' ' 14' ' ' ALA . 0.5 OUTLIER -70.22 -33.01 71.15 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.425 179.861 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D ' 114' ' ' HIS . . . . . 0.888 ' HA ' HD21 ' D' ' 93' ' ' LEU . 0.1 OUTLIER -57.57 -33.96 68.7 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 178.189 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D ' 115' ' ' SER . . . . . 0.429 ' HA ' ' HB2' ' D' ' 118' ' ' GLN . 14.8 m -74.94 -38.88 61.64 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.013 178.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 116' ' ' VAL . . . . . 0.847 ' O ' HD22 ' D' ' 122' ' ' LEU . 54.0 t -57.26 -23.55 19.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.311 -0.859 . . . . 0.0 109.702 178.289 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 117' ' ' PHE . . . . . 0.867 ' CD1' HG13 ' D' ' 89' ' ' VAL . 25.8 m-85 -103.45 -37.58 7.53 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.585 -179.626 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 118' ' ' GLN . . . . . 0.467 ' NE2' ' O ' ' D' ' 114' ' ' HIS . 0.6 OUTLIER -55.23 -32.91 62.67 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.49 -178.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -46.09 138.96 4.83 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.636 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 120' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -80.88 -45.67 16.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.769 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 121' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -55.78 -33.95 64.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.553 179.628 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 122' ' ' LEU . . . . . 0.847 HD22 ' O ' ' D' ' 116' ' ' VAL . 53.9 tp -55.58 -49.57 72.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.307 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 123' ' ' HIS . . . . . 0.909 ' HA ' HD12 ' D' ' 126' ' ' LEU . 93.4 m-70 -50.83 -27.47 7.43 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.192 0.52 . . . . 0.0 110.034 178.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 124' ' ' THR . . . . . 0.569 HG21 ' CG2' ' C' ' 61' ' ' VAL . 2.0 m -76.56 -35.86 57.95 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.848 179.174 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 125' ' ' LEU . . . . . 0.718 HD13 HG12 ' C' ' 53' ' ' ILE . 11.9 mt -67.21 -37.63 83.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.496 179.441 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 126' ' ' LEU . . . . . 0.909 HD12 ' HA ' ' D' ' 123' ' ' HIS . 0.9 OUTLIER -68.93 -49.33 59.01 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.669 179.784 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D ' 127' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.79 -53.28 59.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.285 -179.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 128' ' ' LEU . . . . . 0.796 HD21 ' CD2' ' A' ' 59' ' ' TYR . 52.5 mt -62.53 -36.98 84.32 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.18 -179.669 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 129' ' ' TYR . . . . . 0.639 ' CD2' HG23 ' C' ' 43' ' ' ILE . 0.3 OUTLIER -55.8 -52.25 64.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.887 0.375 . . . . 0.0 110.96 -179.344 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D ' 130' ' ' ASP . . . . . 0.453 ' HB3' ' CD2' ' D' ' 82' ' ' LEU . 7.8 t70 -76.19 -28.97 57.48 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.078 179.785 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.86 -54.01 47.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.847 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 132' ' ' ILE . . . . . 0.745 HD12 ' O ' ' D' ' 128' ' ' LEU . 1.6 mt -75.46 -38.15 39.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.757 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 133' ' ' ASN . . . . . 0.487 ' HB2' HD23 ' C' ' 48' ' ' LEU . 27.8 t-20 -63.83 -28.14 69.65 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.215 -179.644 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 134' ' ' THR . . . . . . . . . . . . . 89.5 m -85.5 -31.48 22.73 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.941 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 135' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.32 -35.29 58.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.55 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 136' ' ' SER . . . . . . . . . . . . . 12.5 t . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.98 -179.706 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.6 ttm180 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.73 -38.33 88.86 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-O 121.255 0.55 . . . . 0.0 109.525 179.006 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 50.1 mm-40 -74.99 -30.61 61.21 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.806 178.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -78.91 -29.59 44.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.919 179.19 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.578 HG23 ' CD2' ' A' ' 44' ' ' PHE . 58.6 m -70.08 -45.7 66.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.359 179.62 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -69.61 -38.49 77.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.291 -0.413 . . . . 0.0 109.988 179.329 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 44.4 ttt180 -71.96 -24.37 61.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.038 179.022 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.786 ' CB ' HG11 ' B' ' 116' ' ' VAL . . . -78.46 -54.8 5.77 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 121.229 0.538 . . . . 0.0 109.569 179.119 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.834 ' HA ' HD12 ' A' ' 18' ' ' LEU . 0.4 OUTLIER -63.11 -25.03 68.17 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.738 179.272 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -72.97 -46.46 52.18 Favored 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 178.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.898 HD22 ' CE1' ' A' ' 21' ' ' TYR . 2.2 mt -62.06 -35.5 78.83 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.562 -0.744 . . . . 0.0 109.258 178.43 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.896 ' CD2' HG11 ' B' ' 92' ' ' VAL . 52.7 mt -61.54 -44.43 97.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.572 179.516 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -63.08 -37.48 87.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -73.47 -37.51 65.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.057 179.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.898 ' CE1' HD22 ' A' ' 17' ' ' LEU . 14.8 m-30 -68.18 -45.81 72.43 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.902 179.566 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.634 ' HA ' HD12 ' A' ' 37' ' ' ILE . 0.1 OUTLIER -55.1 -51.11 67.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.809 179.735 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 60.6 p -56.42 -42.79 78.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.873 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.2 ptmt -89.78 3.12 53.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.632 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 1.076 HD12 HD11 ' A' ' 37' ' ' ILE . 0.2 OUTLIER -92.14 -67.3 0.86 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.981 0.42 . . . . 0.0 111.176 -179.799 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.462 ' HB3' ' HB2' ' A' ' 34' ' ' ARG . 2.5 p -59.41 -158.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.208 -179.308 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.429 ' OE1' ' NH1' ' A' ' 31' ' ' ARG . 1.7 mp0 60.04 27.83 17.3 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 120.967 0.413 . . . . 0.0 110.537 -179.785 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.779 HG23 ' H ' ' A' ' 29' ' ' GLU . 3.5 t -150.47 -63.15 0.2 Allowed 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 121.211 0.529 . . . . 0.0 111.222 -179.693 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.779 ' H ' HG23 ' A' ' 28' ' ' THR . 17.2 pt-20 -172.79 27.92 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.323 -179.508 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.414 ' HB3' ' HB3' ' A' ' 33' ' ' LEU . 2.0 m-20 -143.17 52.56 1.36 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.657 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.429 ' NH1' ' OE1' ' A' ' 27' ' ' GLN . 12.5 mmm180 -66.08 -52.52 48.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.181 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -55.79 -47.08 77.72 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.201 0.524 . . . . 0.0 109.693 178.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.874 HD21 ' HB3' ' B' ' 95' ' ' SER . 11.0 tp -55.64 -34.06 64.59 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.798 178.8 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.462 ' HB2' ' HB3' ' A' ' 26' ' ' SER . 7.2 ttp180 -60.62 -42.63 97.23 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.491 178.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.9 t -62.06 -33.79 75.05 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.306 179.049 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.519 ' O ' ' HG2' ' A' ' 39' ' ' ARG . 5.6 p -65.91 -48.68 70.65 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.944 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 1.076 HD11 HD12 ' A' ' 25' ' ' LEU . 32.4 mt -60.51 -39.19 80.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.135 0.493 . . . . 0.0 109.744 179.134 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.401 ' HA ' HG12 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -62.58 -51.78 66.01 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.028 -0.987 . . . . 0.0 111.918 -179.65 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.779 ' HG3' ' HB1' ' B' ' 88' ' ' ALA . 4.5 ptp180 -55.21 -39.3 69.48 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.15 -179.61 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.433 ' O ' ' HB2' ' A' ' 44' ' ' PHE . 92.3 t -63.59 -38.01 81.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.863 178.386 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.62 HD11 ' HB3' ' A' ' 18' ' ' LEU . 9.4 mm -57.6 -56.4 15.59 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.156 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.087 179.484 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.8 p -59.71 -47.2 86.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.848 0.356 . . . . 0.0 110.555 -179.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.738 HG23 ' CE2' ' B' ' 129' ' ' TYR . 14.7 mt -59.89 -34.89 57.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.971 179.347 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.716 ' HB3' HD22 ' A' ' 15' ' ' LEU . 1.4 m-85 -72.56 -56.66 5.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.775 179.665 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.405 ' NE2' HG22 ' A' ' 41' ' ' ILE . 3.3 pt20 -81.88 2.83 28.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.023 -0.535 . . . . 0.0 112.129 -178.619 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.6 p -50.12 175.57 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.844 0.354 . . . . 0.0 111.118 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -88.18 -38.38 15.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.213 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.826 ' O ' HD12 ' A' ' 48' ' ' LEU . 1.8 tp -79.72 -43.08 23.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.546 -179.619 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.59 ' HZ ' HD11 ' B' ' 122' ' ' LEU . 42.7 t80 -50.58 -56.35 12.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.103 -179.372 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -58.54 -31.84 68.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.953 0.406 . . . . 0.0 110.035 179.306 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.561 ' HB3' ' O ' ' A' ' 48' ' ' LEU . . . -60.06 -47.92 83.87 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.379 179.306 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.613 HD13 ' O ' ' B' ' 125' ' ' LEU . 1.6 mt -60.14 -44.37 94.99 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.404 179.481 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.677 HG12 HD13 ' B' ' 125' ' ' LEU . 11.9 mt -55.03 -37.38 42.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.487 179.389 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -73.2 -38.31 66.15 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.085 178.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.724 HG22 ' HB2' ' A' ' 59' ' ' TYR . 70.0 mt -60.86 -44.35 97.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.49 179.381 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -52.27 -24.84 8.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.486 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -49.3 -28.22 4.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.687 0.279 . . . . 0.0 111.118 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.431 ' CG ' ' HB2' ' C' ' 65' ' ' ASP . 52.9 m-85 -153.62 24.17 0.52 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.316 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.933 ' CD2' HD21 ' D' ' 128' ' ' LEU . 49.6 m-85 -135.91 80.62 1.84 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.5 179.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -66.98 95.04 0.36 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.57 HG13 ' CG1' ' C' ' 61' ' ' VAL . 0.0 OUTLIER -72.66 96.9 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-O 120.934 0.397 . . . . 0.0 110.737 179.794 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.442 ' O ' HD23 ' A' ' 64' ' ' LEU . 3.1 m -82.68 104.43 12.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.613 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.473 HD12 HG23 ' B' ' 124' ' ' THR . 0.3 OUTLIER -82.1 130.47 35.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.961 0.41 . . . . 0.0 110.649 179.681 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.725 ' N ' HD23 ' A' ' 64' ' ' LEU . 0.1 OUTLIER -109.79 -27.09 9.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.033 -179.526 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.415 ' HB2' ' CG ' ' C' ' 58' ' ' PHE . 15.3 t0 -70.44 -25.62 63.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.564 179.679 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.517 -0.309 0 CA-C-O 121.508 0.67 . . . . 0.0 110.764 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.48 0 N-CA-C 110.187 -1.165 . . . . 0.0 110.187 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.736 HD23 ' O ' ' B' ' 82' ' ' LEU . 9.6 tt -106.78 -22.71 12.63 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 114.692 -0.754 . . . . 0.0 110.249 179.14 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . 0.938 HD23 ' H ' ' B' ' 84' ' ' ALA . 0.6 OUTLIER -71.05 -40.22 71.79 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.369 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 1.085 ' HB1' ' HB2' ' B' ' 88' ' ' ALA . . . -82.35 -17.31 46.1 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.834 -179.032 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 85' ' ' ALA . . . . . 0.825 ' HB1' ' HB3' ' B' ' 126' ' ' LEU . . . -52.06 -23.03 4.64 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.227 -0.589 . . . . 0.0 109.728 179.152 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -127.06 -40.02 1.89 Allowed 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.793 178.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 87' ' ' ARG . . . . . 0.653 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 33.8 ttt85 -65.59 -40.49 92.74 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.733 179.471 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . 1.085 ' HB2' ' HB1' ' B' ' 84' ' ' ALA . . . -68.53 -42.9 77.82 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.0 -179.578 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 89' ' ' VAL . . . . . 0.763 HG13 ' CD1' ' B' ' 117' ' ' PHE . 61.0 t -69.66 -36.0 68.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.374 179.31 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 2.4 t -74.31 -26.75 60.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.673 179.53 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 91' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -67.4 -57.08 7.23 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-O 121.329 0.585 . . . . 0.0 109.742 179.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 92' ' ' VAL . . . . . 0.896 HG11 ' CD2' ' A' ' 18' ' ' LEU . 6.2 t -65.37 -27.65 42.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.276 -0.874 . . . . 0.0 109.96 179.069 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . 0.766 HD21 ' HA ' ' B' ' 114' ' ' HIS . 2.7 mt -66.26 -36.52 83.21 Favored 'General case' 0 C--O 1.231 0.09 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.555 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.52 -39.25 20.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.975 0.417 . . . . 0.0 111.039 -179.51 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 95' ' ' SER . . . . . 0.874 ' HB3' HD21 ' A' ' 33' ' ' LEU . 5.5 m -80.22 -17.89 51.04 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.133 -179.256 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . 0.515 HD13 ' HB3' ' B' ' 110' ' ' LEU . 0.1 OUTLIER -38.53 -52.41 1.6 Allowed 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -179.077 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -71.21 -28.23 64.06 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.037 -179.365 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . 0.821 ' O ' ' HB3' ' B' ' 101' ' ' ALA . 0.1 OUTLIER -69.6 -33.56 72.87 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 177.764 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 99' ' ' ILE . . . . . 0.623 HG23 HG21 ' B' ' 103' ' ' THR . 58.1 mt -63.36 -49.58 82.28 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.862 0 CA-C-N 114.51 -1.223 . . . . 0.0 109.689 178.508 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . 0.961 ' HB2' HD11 ' B' ' 110' ' ' LEU . 1.8 t-160 -56.48 -32.88 65.42 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 178.116 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . 0.821 ' HB3' ' O ' ' B' ' 98' ' ' GLU . . . -57.39 -46.07 83.84 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 114.54 -1.209 . . . . 0.0 111.986 179.38 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 102' ' ' LEU . . . . . 0.673 HD12 HG23 ' B' ' 103' ' ' THR . 0.4 OUTLIER -116.63 26.66 9.7 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.736 -177.48 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 103' ' ' THR . . . . . 0.673 HG23 HD12 ' B' ' 102' ' ' LEU . 31.9 p -140.67 -31.93 0.6 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.663 0.268 . . . . 0.0 111.484 179.604 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 1.1 t70 68.45 27.25 6.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.963 0.411 . . . . 0.0 110.55 -179.586 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 105' ' ' SER . . . . . 0.414 ' HB3' ' CE1' ' A' ' 21' ' ' TYR . 10.9 m -53.8 -77.75 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.654 179.813 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 167.55 105.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.429 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -47.97 -35.17 10.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.869 0.366 . . . . 0.0 110.638 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.8 -43.15 89.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.631 178.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 109' ' ' ASP . . . . . 0.658 ' O ' HD12 ' B' ' 113' ' ' LEU . 0.9 OUTLIER -63.94 -39.74 94.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.767 179.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 110' ' ' LEU . . . . . 0.961 HD11 ' HB2' ' B' ' 100' ' ' HIS . 50.8 mt -61.46 -35.01 76.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.816 179.048 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 111' ' ' ASP . . . . . 0.45 ' HA ' ' ND1' ' B' ' 114' ' ' HIS . 5.0 m-20 -64.01 -48.67 75.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.737 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 112' ' ' PHE . . . . . 0.582 ' O ' HG23 ' B' ' 116' ' ' VAL . 1.3 t80 -58.86 -37.79 77.3 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.865 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 113' ' ' LEU . . . . . 0.713 HD11 ' CD1' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -75.96 -36.74 59.18 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.033 -179.865 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 114' ' ' HIS . . . . . 0.766 ' HA ' HD21 ' B' ' 93' ' ' LEU . 0.0 OUTLIER -59.05 -33.35 70.66 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 178.939 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . 0.46 ' N ' ' CD2' ' B' ' 114' ' ' HIS . 39.2 t -75.81 -36.76 59.61 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 178.283 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 116' ' ' VAL . . . . . 0.859 ' O ' HD22 ' B' ' 122' ' ' LEU . 28.1 t -61.34 -23.33 30.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.726 178.297 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 117' ' ' PHE . . . . . 0.763 ' CD1' HG13 ' B' ' 89' ' ' VAL . 27.8 m-85 -100.49 -37.08 8.97 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.374 -179.642 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.49 -28.06 69.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.682 -179.095 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -41.16 114.72 0.52 Allowed 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.792 -179.325 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.32 -43.01 92.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.495 179.771 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 16.9 m-70 -60.99 -34.15 74.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.448 179.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . 0.859 HD22 ' O ' ' B' ' 116' ' ' VAL . 48.8 tp -56.03 -49.08 74.69 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.498 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 123' ' ' HIS . . . . . 1.021 ' HA ' HD12 ' B' ' 126' ' ' LEU . 97.1 m-70 -53.81 -26.03 22.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.981 179.04 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 124' ' ' THR . . . . . 0.689 HG22 HD11 ' B' ' 128' ' ' LEU . 1.9 m -74.22 -40.21 62.59 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.294 178.755 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . 0.834 HD12 HD12 ' B' ' 122' ' ' LEU . 4.9 mt -67.02 -31.82 72.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.845 178.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . 1.021 HD12 ' HA ' ' B' ' 123' ' ' HIS . 7.1 mt -73.29 -50.87 19.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.393 -179.582 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.87 -51.55 68.8 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.909 0.385 . . . . 0.0 110.942 179.759 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . 0.939 HD21 ' CD2' ' C' ' 59' ' ' TYR . 12.0 mt -60.66 -37.48 81.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.34 179.595 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 129' ' ' TYR . . . . . 0.738 ' CE2' HG23 ' A' ' 43' ' ' ILE . 0.2 OUTLIER -56.95 -44.25 82.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.359 179.567 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 130' ' ' ASP . . . . . 0.586 ' CG ' ' HA ' ' B' ' 82' ' ' LEU . 0.2 OUTLIER -76.07 -39.24 55.85 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.064 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 15.2 mttm -54.98 -53.84 50.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.496 -179.488 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 132' ' ' ILE . . . . . 0.731 HD12 ' O ' ' B' ' 128' ' ' LEU . 2.2 mt -72.26 -38.21 61.21 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 CA-C-O 120.978 0.418 . . . . 0.0 110.67 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 133' ' ' ASN . . . . . 0.452 ' HB2' HD23 ' A' ' 48' ' ' LEU . 60.6 t-20 -60.53 -32.64 71.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.672 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 80.7 m -64.02 -29.67 70.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.914 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.59 -29.78 14.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.019 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.043 179.953 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 7' ' ' ARG . . . . . . . . . . . . . 12.0 ttm-85 . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 1.5 tptp -60.88 -38.17 84.7 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-O 121.149 0.5 . . . . 0.0 109.722 179.101 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 61.4 mm-40 -73.93 -29.19 61.9 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.066 179.094 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 10' ' ' ASP . . . . . 0.593 ' HB3' HG22 ' D' ' 116' ' ' VAL . 93.1 m-20 -78.13 -31.76 50.06 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.371 179.675 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 11' ' ' THR . . . . . 0.427 HG21 ' CD1' ' C' ' 53' ' ' ILE . 16.8 p -71.92 -42.73 66.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.384 179.69 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 12' ' ' GLN . . . . . 0.446 ' HA ' HD23 ' C' ' 15' ' ' LEU . 0.5 OUTLIER -68.95 -40.59 78.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.389 179.561 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 12.2 ttt180 -72.9 -24.36 60.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.183 179.031 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 14' ' ' ALA . . . . . 0.902 ' CB ' HG11 ' D' ' 116' ' ' VAL . . . -78.72 -50.79 10.78 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.877 179.3 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 15' ' ' LEU . . . . . 0.785 ' O ' HD12 ' C' ' 41' ' ' ILE . 0.5 OUTLIER -66.81 -27.24 67.41 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.763 179.623 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 16' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -73.61 -45.86 50.47 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 178.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . 0.824 HD22 ' CE1' ' C' ' 21' ' ' TYR . 1.6 mt -61.62 -42.16 98.49 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.669 178.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . 0.773 ' HB3' HD11 ' C' ' 41' ' ' ILE . 10.7 mt -58.99 -42.91 91.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.393 -0.822 . . . . 0.0 110.629 179.617 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . 0.406 ' O ' ' CG ' ' C' ' 22' ' ' ARG . 0.0 OUTLIER -58.05 -45.71 86.56 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.06 0.457 . . . . 0.0 110.508 179.637 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -69.81 -32.98 71.71 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.697 179.086 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 21' ' ' TYR . . . . . 0.824 ' CE1' HD22 ' C' ' 17' ' ' LEU . 9.1 m-30 -65.93 -47.42 74.77 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.915 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 22' ' ' ARG . . . . . 0.514 ' HA ' HD12 ' C' ' 37' ' ' ILE . 9.1 ptt85 -59.95 -43.58 94.93 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.866 0.365 . . . . 0.0 110.758 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 1.7 p -58.09 -39.66 79.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.679 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 24' ' ' LYS . . . . . 0.41 ' HG3' ' HB ' ' D' ' 103' ' ' THR . 5.9 ptmt -94.0 -11.42 30.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.828 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 25' ' ' LEU . . . . . 0.804 HD12 HD11 ' C' ' 37' ' ' ILE . 0.7 OUTLIER -79.32 -68.78 0.63 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.873 0.368 . . . . 0.0 111.152 -179.632 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . 0.468 ' HB2' ' HB2' ' C' ' 34' ' ' ARG . 33.6 t -62.39 -144.46 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.803 -179.396 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 48.35 27.24 1.3 Allowed 'General case' 0 N--CA 1.452 -0.346 0 CA-C-O 120.992 0.425 . . . . 0.0 110.35 -179.429 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 28' ' ' THR . . . . . 0.533 HG23 ' N ' ' C' ' 29' ' ' GLU . 12.9 t -152.18 -53.4 0.12 Allowed 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.856 -179.619 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 29' ' ' GLU . . . . . 0.533 ' N ' HG23 ' C' ' 28' ' ' THR . 9.7 pt-20 -177.47 26.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.779 -179.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 30' ' ' ASP . . . . . 0.518 ' CB ' HD22 ' C' ' 25' ' ' LEU . 0.9 OUTLIER -141.71 55.07 1.5 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.992 0.425 . . . . 0.0 110.914 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 2.0 mmm180 -65.02 -50.81 64.8 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.096 179.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.88 -50.56 73.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.083 179.156 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 33' ' ' LEU . . . . . 0.81 HD21 ' HB3' ' D' ' 95' ' ' SER . 4.9 tp -52.72 -33.32 47.43 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.092 179.058 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 34' ' ' ARG . . . . . 0.468 ' HB2' ' HB2' ' C' ' 26' ' ' SER . 6.8 ttp180 -60.62 -49.76 76.24 Favored 'General case' 0 CA--C 1.517 -0.311 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 178.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 4.9 m -55.7 -32.68 63.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.173 179.026 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 36' ' ' SER . . . . . 0.484 ' O ' ' CG ' ' C' ' 39' ' ' ARG . 1.4 m -66.69 -48.29 69.77 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.528 179.458 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 37' ' ' ILE . . . . . 0.804 HD11 HD12 ' C' ' 25' ' ' LEU . 54.0 mt -58.21 -40.04 75.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 179.208 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -58.81 -52.61 64.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.611 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 39' ' ' ARG . . . . . 0.764 ' HG3' ' HB1' ' D' ' 88' ' ' ALA . 1.9 ptp180 -55.68 -35.75 66.37 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.053 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . 0.546 HG12 ' CD2' ' C' ' 44' ' ' PHE . 89.8 t -68.82 -33.0 57.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.883 178.655 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 41' ' ' ILE . . . . . 0.785 HD12 ' O ' ' C' ' 15' ' ' LEU . 9.7 mm -69.67 -58.26 6.05 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.136 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 179.449 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 18.9 p -56.57 -47.56 79.27 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-O 121.07 0.462 . . . . 0.0 110.377 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 43' ' ' ILE . . . . . 0.725 HG23 ' CE2' ' D' ' 129' ' ' TYR . 16.8 mt -60.05 -32.23 49.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.948 179.086 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 44' ' ' PHE . . . . . 0.754 ' HB3' HD22 ' C' ' 15' ' ' LEU . 0.3 OUTLIER -72.59 -57.29 4.26 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.77 179.704 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 45' ' ' GLN . . . . . 0.447 ' HG2' ' O ' ' C' ' 41' ' ' ILE . 4.8 pt20 -74.4 -3.28 29.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 112.116 -178.725 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 46' ' ' SER . . . . . 0.4 ' OG ' ' CE1' ' D' ' 129' ' ' TYR . 6.3 t -54.71 126.47 24.12 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.799 0.333 . . . . 0.0 110.678 179.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -53.87 -24.73 16.9 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.601 -179.553 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . 0.636 HD13 ' O ' ' C' ' 48' ' ' LEU . 0.3 OUTLIER -76.14 -49.21 17.96 Favored 'General case' 0 CA--C 1.519 -0.225 0 N-CA-C 109.252 -0.648 . . . . 0.0 109.252 179.173 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 49' ' ' PHE . . . . . 0.957 ' CE2' HD11 ' C' ' 53' ' ' ILE . 85.6 t80 -52.71 -41.78 64.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.37 179.45 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 50' ' ' GLN . . . . . 0.469 ' OE1' ' CA ' ' C' ' 50' ' ' GLN . 0.0 OUTLIER -59.68 -44.91 93.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.462 179.352 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 51' ' ' ALA . . . . . 0.561 ' HB1' ' HA ' ' B' ' 132' ' ' ILE . . . -59.18 -48.03 83.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.945 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 52' ' ' LEU . . . . . 0.687 HD13 ' O ' ' D' ' 125' ' ' LEU . 2.1 mt -59.12 -45.88 89.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.903 0.383 . . . . 0.0 110.53 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 53' ' ' ILE . . . . . 0.957 HD11 ' CE2' ' C' ' 49' ' ' PHE . 50.2 mt -53.61 -42.39 50.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.517 179.624 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -63.27 -39.13 93.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.385 179.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 55' ' ' ILE . . . . . 0.745 HG22 ' HB2' ' C' ' 59' ' ' TYR . 67.8 mt -60.37 -34.17 56.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.681 179.761 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 56' ' ' GLN . . . . . 0.454 ' NE2' HD21 ' D' ' 125' ' ' LEU . 0.0 OUTLIER -53.19 -21.76 5.63 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.764 -179.81 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 57' ' ' GLU . . . . . 0.405 ' O ' ' CD1' ' C' ' 58' ' ' PHE . 41.5 mt-10 -45.08 -43.03 9.22 Favored 'General case' 0 N--CA 1.462 0.159 0 N-CA-C 111.692 0.256 . . . . 0.0 111.692 -179.666 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 58' ' ' PHE . . . . . 0.415 ' CG ' ' HB2' ' A' ' 65' ' ' ASP . 83.1 m-85 -155.69 38.73 0.38 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.822 0.304 . . . . 0.0 111.822 -179.59 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 59' ' ' TYR . . . . . 0.939 ' CD2' HD21 ' B' ' 128' ' ' LEU . 59.7 m-85 -136.07 79.7 1.78 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.874 179.609 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.16 87.9 0.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.948 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 61' ' ' VAL . . . . . 0.64 HG23 HG21 ' D' ' 124' ' ' THR . 0.0 OUTLIER -73.26 98.77 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 120.924 0.393 . . . . 0.0 111.126 179.858 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 62' ' ' THR . . . . . . . . . . . . . 3.7 m -80.97 122.36 27.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.527 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 63' ' ' LEU . . . . . 0.481 HD11 ' OH ' ' A' ' 59' ' ' TYR . 0.1 OUTLIER -93.01 130.03 38.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.895 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 64' ' ' LEU . . . . . 0.703 HD23 ' N ' ' C' ' 64' ' ' LEU . 0.1 OUTLIER -115.81 -27.05 7.15 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.086 -179.604 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 65' ' ' ASP . . . . . 0.431 ' HB2' ' CG ' ' A' ' 58' ' ' PHE . 31.7 t70 -59.04 -20.59 54.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.836 0.35 . . . . 0.0 110.939 179.631 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 66' ' ' ASN . . . . . . . . . . . . . 17.8 p-10 . . . . . 0 C--N 1.332 -0.187 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.147 -179.914 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.414 0 N-CA-C 109.913 -1.275 . . . . 0.0 109.913 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 82' ' ' LEU . . . . . 0.668 HD12 ' HB3' ' D' ' 130' ' ' ASP . 9.3 tt -92.36 -27.24 17.65 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 114.444 -0.878 . . . . 0.0 109.878 178.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 83' ' ' LEU . . . . . 0.958 HD23 ' H ' ' D' ' 84' ' ' ALA . 0.7 OUTLIER -66.51 -40.18 89.07 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.604 179.911 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' D' D ' 84' ' ' ALA . . . . . 1.108 ' HB1' ' HB2' ' D' ' 88' ' ' ALA . . . -80.27 -17.84 51.05 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.617 -178.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 85' ' ' ALA . . . . . 0.857 ' HB1' ' HB3' ' D' ' 126' ' ' LEU . . . -51.68 -25.68 7.73 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 179.085 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 86' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -124.84 -37.81 2.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.023 178.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 87' ' ' ARG . . . . . 0.632 ' HB3' ' O ' ' D' ' 83' ' ' LEU . 33.0 ttt180 -68.37 -37.73 80.72 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.969 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 88' ' ' ALA . . . . . 1.108 ' HB2' ' HB1' ' D' ' 84' ' ' ALA . . . -72.15 -39.96 68.38 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.245 -179.296 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 89' ' ' VAL . . . . . 0.821 HG12 ' HB3' ' D' ' 117' ' ' PHE . 21.5 t -76.97 -35.2 23.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.871 179.586 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 8.3 t -74.96 -43.26 55.1 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.169 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 91' ' ' GLN . . . . . 0.412 ' CG ' ' N ' ' D' ' 92' ' ' VAL . 6.9 pt20 -64.56 -49.97 69.12 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.056 0.455 . . . . 0.0 109.782 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 92' ' ' VAL . . . . . 0.554 HG23 ' O ' ' D' ' 88' ' ' ALA . 62.4 t -64.28 -27.67 43.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 177.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 93' ' ' LEU . . . . . 0.72 HD21 ' HA ' ' D' ' 114' ' ' HIS . 1.0 OUTLIER -58.22 -47.45 83.45 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.129 179.141 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.01 -24.41 52.15 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.196 -179.655 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 95' ' ' SER . . . . . 0.81 ' HB3' HD21 ' C' ' 33' ' ' LEU . 4.8 m -79.31 -29.69 42.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.758 -179.483 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 96' ' ' LEU . . . . . 0.924 HD22 HD22 ' D' ' 110' ' ' LEU . 0.2 OUTLIER -37.64 -52.49 1.23 Allowed 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 112.528 0.566 . . . . 0.0 112.528 -179.294 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -66.09 -30.52 71.05 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.959 0.409 . . . . 0.0 111.187 -179.173 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 98' ' ' GLU . . . . . 0.808 ' OE2' HD21 ' D' ' 102' ' ' LEU . 0.0 OUTLIER -70.02 -34.95 73.95 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 177.62 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' D' D ' 99' ' ' ILE . . . . . 0.565 ' O ' HG23 ' D' ' 103' ' ' THR . 6.6 mt -59.32 -49.35 83.81 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.644 0 CA-C-N 114.386 -1.279 . . . . 0.0 110.031 178.433 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 100' ' ' HIS . . . . . 0.841 ' HB2' HD11 ' D' ' 110' ' ' LEU . 2.0 t-160 -58.03 -35.08 70.78 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 178.464 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 101' ' ' ALA . . . . . 0.782 ' HB3' ' O ' ' D' ' 98' ' ' GLU . . . -55.36 -43.25 74.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.676 -1.147 . . . . 0.0 111.874 179.408 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 102' ' ' LEU . . . . . 0.808 HD21 ' OE2' ' D' ' 98' ' ' GLU . 0.4 OUTLIER -119.66 31.67 6.45 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.622 -0.717 . . . . 0.0 112.804 -177.452 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' D' D ' 103' ' ' THR . . . . . 0.674 HG23 HD12 ' D' ' 102' ' ' LEU . 35.4 p -146.89 -34.29 0.27 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.709 0.29 . . . . 0.0 111.572 179.713 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 1.7 t0 70.75 28.01 3.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.892 0.377 . . . . 0.0 110.326 -179.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 105' ' ' SER . . . . . . . . . . . . . 3.7 m -54.32 -77.61 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.773 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 106' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 167.55 105.36 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.487 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -47.31 -32.32 4.62 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.91 0.386 . . . . 0.0 110.596 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -66.93 -44.42 80.72 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 178.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 109' ' ' ASP . . . . . 0.733 ' O ' HD12 ' D' ' 113' ' ' LEU . 55.7 m-20 -66.23 -35.2 79.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.706 178.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 110' ' ' LEU . . . . . 0.924 HD22 HD22 ' D' ' 96' ' ' LEU . 17.1 mt -63.08 -44.53 95.52 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.998 179.268 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 111' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -60.34 -42.1 94.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.608 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 112' ' ' PHE . . . . . 0.754 ' O ' HG23 ' D' ' 116' ' ' VAL . 1.3 t80 -58.83 -43.25 90.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.344 179.45 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 113' ' ' LEU . . . . . 0.733 HD12 ' O ' ' D' ' 109' ' ' ASP . 0.5 OUTLIER -72.82 -32.71 65.7 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.707 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' D' D ' 114' ' ' HIS . . . . . 0.72 ' HA ' HD21 ' D' ' 93' ' ' LEU . 35.1 m170 -60.24 -37.9 81.79 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 178.347 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 115' ' ' SER . . . . . . . . . . . . . 70.1 m -73.37 -37.71 65.95 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 178.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 116' ' ' VAL . . . . . 0.902 HG11 ' CB ' ' C' ' 14' ' ' ALA . 55.1 t -60.05 -23.07 26.04 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 CA-C-N 115.165 -0.925 . . . . 0.0 109.711 178.293 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 117' ' ' PHE . . . . . 0.821 ' HB3' HG12 ' D' ' 89' ' ' VAL . 6.7 m-30 -107.37 -25.18 11.56 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.69 -179.503 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 118' ' ' GLN . . . . . 0.419 ' HB2' ' O ' ' D' ' 114' ' ' HIS . 0.0 OUTLIER -67.43 -37.81 83.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.698 0.285 . . . . 0.0 111.588 -179.029 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -42.71 111.71 0.28 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.749 -179.262 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 120' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -56.51 -40.19 74.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.422 179.702 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 121' ' ' HIS . . . . . . . . . . . . . 20.4 m170 -56.16 -34.01 65.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.195 179.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 122' ' ' LEU . . . . . 0.906 HD12 HD12 ' D' ' 125' ' ' LEU . 36.4 tp -56.03 -48.99 74.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.297 179.667 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 123' ' ' HIS . . . . . 0.99 ' HA ' HD12 ' D' ' 126' ' ' LEU . 40.5 m170 -54.64 -24.42 21.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.092 179.042 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 124' ' ' THR . . . . . 0.64 HG21 HG23 ' C' ' 61' ' ' VAL . 1.7 m -75.52 -39.04 58.92 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 178.775 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 125' ' ' LEU . . . . . 0.906 HD12 HD12 ' D' ' 122' ' ' LEU . 4.7 mt -69.45 -33.63 73.2 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.647 178.668 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 126' ' ' LEU . . . . . 0.99 HD12 ' HA ' ' D' ' 123' ' ' HIS . 3.9 mt -73.6 -49.85 24.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.07 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 127' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -60.79 -43.0 98.67 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.709 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 128' ' ' LEU . . . . . 0.933 HD21 ' CD2' ' A' ' 59' ' ' TYR . 19.1 mt -74.24 -29.7 61.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.204 179.309 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 129' ' ' TYR . . . . . 0.725 ' CE2' HG23 ' C' ' 43' ' ' ILE . 0.3 OUTLIER -56.39 -52.1 65.87 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.861 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' D' D ' 130' ' ' ASP . . . . . 0.668 ' HB3' HD12 ' D' ' 82' ' ' LEU . 0.1 OUTLIER -76.47 -35.48 58.41 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.787 0.327 . . . . 0.0 111.234 179.926 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' D' D ' 131' ' ' LYS . . . . . . . . . . . . . 1.2 mtpp -55.04 -51.0 67.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.099 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 132' ' ' ILE . . . . . 0.421 HD12 ' O ' ' D' ' 128' ' ' LEU . 5.0 mt -74.2 -38.38 48.02 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 CA-C-O 120.995 0.426 . . . . 0.0 110.708 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 133' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -58.98 -26.02 64.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.889 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 134' ' ' THR . . . . . . . . . . . . . 97.7 m -90.23 -55.04 3.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.079 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 135' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -63.03 -20.06 64.96 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.269 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 136' ' ' SER . . . . . . . . . . . . . 59.3 p . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 120.795 0.331 . . . . 0.0 111.096 179.954 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.455 -0.201 0 N-CA-C 110.081 -0.341 . . . . 0.0 110.081 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.48 -38.43 89.83 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 121.098 0.475 . . . . 0.0 109.783 179.169 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 58.0 mm-40 -74.77 -29.05 61.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.094 179.057 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.423 ' O ' ' HB2' ' A' ' 14' ' ' ALA . 63.2 m-20 -80.43 -30.34 37.65 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.708 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.7 p -75.47 -36.09 60.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.264 179.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -71.99 -44.9 62.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.096 179.338 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.5 ttt180 -70.13 -24.65 63.22 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.023 178.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.952 ' CB ' HG11 ' B' ' 116' ' ' VAL . . . -78.41 -53.99 6.66 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.857 179.073 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.914 ' HA ' HD12 ' A' ' 18' ' ' LEU . 0.4 OUTLIER -66.09 -25.53 67.06 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.696 179.54 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.416 ' O ' ' HG3' ' A' ' 19' ' ' GLU . 0.7 OUTLIER -73.12 -44.38 60.32 Favored 'General case' 0 CA--C 1.518 -0.261 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 178.878 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.894 HD22 ' CE1' ' A' ' 21' ' ' TYR . 5.4 mt -64.36 -29.01 70.09 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.558 178.423 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.914 HD12 ' HA ' ' A' ' 15' ' ' LEU . 45.0 mt -66.2 -50.3 64.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.909 179.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.462 ' HG3' ' N ' ' A' ' 20' ' ' GLU . 0.3 OUTLIER -61.26 -36.52 80.25 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.707 -179.803 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.462 ' N ' ' HG3' ' A' ' 19' ' ' GLU . 74.2 mm-40 -74.86 -36.1 62.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.872 179.25 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.894 ' CE1' HD22 ' A' ' 17' ' ' LEU . 9.8 m-30 -66.16 -47.14 75.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.365 179.473 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.448 ' HG2' ' HA ' ' A' ' 19' ' ' GLU . 2.6 ptm180 -58.77 -43.52 90.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.799 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.431 ' N ' ' HG3' ' A' ' 22' ' ' ARG . 1.5 m -61.74 -35.11 77.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.466 179.604 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.646 ' O ' HG22 ' B' ' 103' ' ' THR . 8.5 ptmt -99.16 5.29 46.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.464 179.718 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.817 HD12 HD11 ' A' ' 37' ' ' ILE . 0.2 OUTLIER -98.53 -65.39 0.96 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.008 0.433 . . . . 0.0 110.676 -179.778 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.473 ' OG ' ' CG ' ' A' ' 34' ' ' ARG . 0.7 OUTLIER -60.6 -145.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.098 -179.479 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 47.3 27.4 0.87 Allowed 'General case' 0 N--CA 1.452 -0.367 0 CA-C-O 120.836 0.35 . . . . 0.0 110.593 -179.608 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.573 HG23 ' N ' ' A' ' 29' ' ' GLU . 14.7 t -150.85 -55.47 0.15 Allowed 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.42 -179.686 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.573 ' N ' HG23 ' A' ' 28' ' ' THR . 14.1 pt-20 -177.31 27.78 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.732 -179.352 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -143.08 48.07 1.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.03 0.443 . . . . 0.0 111.266 -179.742 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.8 -51.0 71.63 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.249 0.547 . . . . 0.0 110.049 179.433 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -56.25 -46.04 79.78 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.896 179.075 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.693 HD21 ' HB2' ' B' ' 95' ' ' SER . 6.2 tp -53.87 -33.79 57.46 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.871 179.081 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.473 ' CG ' ' OG ' ' A' ' 26' ' ' SER . 6.6 ttp180 -61.63 -46.83 88.14 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 178.604 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.554 ' HA ' ' CG ' ' A' ' 38' ' ' GLU . 0.3 OUTLIER -57.39 -30.46 64.92 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.965 179.669 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.649 ' HB3' ' NE2' ' B' ' 91' ' ' GLN . 0.1 OUTLIER -75.89 -46.6 29.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.114 0.483 . . . . 0.0 110.411 179.67 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.817 HD11 HD12 ' A' ' 25' ' ' LEU . 56.1 mt -63.47 -40.55 89.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.908 179.501 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.573 ' HA ' HG12 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -69.8 -38.43 76.62 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.089 -0.505 . . . . 0.0 112.338 -178.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.561 ' HG2' ' O ' ' A' ' 36' ' ' SER . 6.1 ptp180 -62.1 -38.92 90.69 Favored 'General case' 0 CA--C 1.519 -0.241 0 C-N-CA 119.955 -0.698 . . . . 0.0 109.499 179.782 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.554 HG12 ' CD1' ' A' ' 44' ' ' PHE . 94.9 t -60.94 -44.31 97.74 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 177.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.741 HG22 ' NE2' ' A' ' 45' ' ' GLN . 11.3 mm -50.79 -57.52 2.63 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.577 179.527 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.4 t -56.28 -46.12 79.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.944 0.402 . . . . 0.0 110.795 -179.063 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.955 HG23 ' CE2' ' B' ' 129' ' ' TYR . 9.2 mt -59.83 -34.59 56.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.864 179.055 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.892 ' HB3' HD22 ' A' ' 15' ' ' LEU . 2.5 m-85 -72.53 -57.13 4.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.503 179.477 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.741 ' NE2' HG22 ' A' ' 41' ' ' ILE . 32.2 mt-30 -62.7 -26.44 68.67 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.985 -178.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.496 ' CB ' ' CE1' ' B' ' 129' ' ' TYR . 0.2 OUTLIER -37.62 127.41 1.14 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.981 0.419 . . . . 0.0 111.774 -179.331 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -54.4 -24.86 21.53 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.504 -179.709 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.818 HD12 ' HA ' ' B' ' 129' ' ' TYR . 0.4 OUTLIER -79.15 -47.38 16.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.828 0.347 . . . . 0.0 110.243 179.766 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.66 ' CE2' HD11 ' A' ' 53' ' ' ILE . 88.1 t80 -50.44 -51.49 46.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.029 -179.399 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 49.6 mm-40 -59.03 -34.22 71.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.026 0.441 . . . . 0.0 110.398 179.379 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' A' ' 48' ' ' LEU . . . -59.43 -47.28 86.09 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.533 179.55 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.707 HD13 ' O ' ' B' ' 125' ' ' LEU . 0.3 OUTLIER -60.35 -44.6 95.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.242 179.489 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.66 HD11 ' CE2' ' A' ' 49' ' ' PHE . 10.8 mt -54.7 -37.37 39.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.46 179.432 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -67.52 -39.27 85.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.259 179.34 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.828 HG22 ' HB2' ' A' ' 59' ' ' TYR . 66.6 mt -62.82 -35.08 69.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.726 179.602 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.476 ' HG3' HD21 ' B' ' 125' ' ' LEU . 0.9 OUTLIER -54.66 -21.06 9.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.765 -179.721 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.429 ' O ' ' CD1' ' A' ' 58' ' ' PHE . 37.2 mt-10 -46.97 -36.83 8.17 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 120.572 0.225 . . . . 0.0 111.265 -179.784 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.45 ' CG ' ' HB2' ' C' ' 65' ' ' ASP . 18.9 m-85 -156.75 35.14 0.3 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.614 -179.786 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.83 ' CD2' HD21 ' D' ' 128' ' ' LEU . 26.7 m-85 -139.86 94.17 2.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.826 179.615 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -84.91 99.01 10.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.784 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.636 HG13 HG12 ' C' ' 61' ' ' VAL . 0.0 OUTLIER -77.55 98.72 2.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.132 179.94 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 28.8 m -75.28 128.63 35.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.368 179.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.856 HD11 ' CE2' ' C' ' 59' ' ' TYR . 0.9 OUTLIER -97.21 120.53 37.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.974 -179.867 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.682 ' N ' HD23 ' A' ' 64' ' ' LEU . 0.1 OUTLIER -111.37 -17.44 13.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.857 179.691 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.487 ' O ' ' ND2' ' A' ' 66' ' ' ASN . 6.9 t0 -166.79 -22.05 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.87 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.487 ' ND2' ' O ' ' A' ' 65' ' ' ASP . 6.2 p30 . . . . . 0 N--CA 1.463 0.218 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 81' ' ' GLY . . . . . 0.426 ' O ' ' HB2' ' B' ' 85' ' ' ALA . . . . . . . . 0 N--CA 1.445 -0.731 0 N-CA-C 111.409 -0.676 . . . . 0.0 111.409 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.873 ' N ' HD23 ' B' ' 82' ' ' LEU . 0.3 OUTLIER -87.78 -33.34 18.68 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.099 0.476 . . . . 0.0 110.468 179.658 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . 1.084 HD23 ' H ' ' B' ' 84' ' ' ALA . 0.0 OUTLIER -63.51 -55.13 26.46 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.14 -179.316 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 1.084 ' H ' HD23 ' B' ' 83' ' ' LEU . . . -71.19 -25.0 62.34 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.391 -179.309 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 85' ' ' ALA . . . . . 0.905 ' HB1' ' CB ' ' B' ' 126' ' ' LEU . . . -52.66 -28.04 19.89 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-O 121.113 0.483 . . . . 0.0 110.036 179.624 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -123.03 -44.09 2.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.902 178.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 87' ' ' ARG . . . . . 0.78 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 16.0 ttt180 -57.64 -50.42 73.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.935 178.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . 0.77 ' HB3' ' O ' ' B' ' 84' ' ' ALA . . . -58.04 -48.4 80.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.109 -0.951 . . . . 0.0 111.8 -179.394 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 89' ' ' VAL . . . . . 0.602 HG12 ' HB3' ' B' ' 117' ' ' PHE . 24.8 t -62.19 -30.21 48.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.223 -179.725 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 73.7 m -75.24 -30.46 60.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.287 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 91' ' ' GLN . . . . . 0.649 ' NE2' ' HB3' ' A' ' 36' ' ' SER . 0.8 OUTLIER -68.65 -54.0 19.02 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 179.519 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 92' ' ' VAL . . . . . 0.832 HG11 HD22 ' A' ' 18' ' ' LEU . 3.6 t -64.28 -27.94 43.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.766 178.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . 0.72 HD21 ' HA ' ' B' ' 114' ' ' HIS . 1.5 mt -63.63 -42.54 98.16 Favored 'General case' 0 N--CA 1.457 -0.084 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.48 179.688 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.37 -27.96 31.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.387 -179.409 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 95' ' ' SER . . . . . 0.693 ' HB2' HD21 ' A' ' 33' ' ' LEU . 4.5 p -80.05 -28.54 39.24 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -179.345 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . 0.803 HD22 HD22 ' B' ' 110' ' ' LEU . 0.2 OUTLIER -36.04 -51.12 0.72 Allowed 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 112.455 0.539 . . . . 0.0 112.455 -179.113 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -69.0 -31.65 70.64 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.034 -179.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . 0.812 ' O ' ' HB3' ' B' ' 101' ' ' ALA . 0.2 OUTLIER -68.73 -34.27 75.33 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.045 -1.095 . . . . 0.0 108.045 177.706 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 99' ' ' ILE . . . . . 0.666 HG23 HG21 ' B' ' 103' ' ' THR . 12.8 mt -61.99 -49.5 83.91 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.883 0 CA-C-N 114.352 -1.295 . . . . 0.0 109.984 178.493 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . 0.904 ' HB2' HD11 ' B' ' 110' ' ' LEU . 1.6 t-160 -56.37 -34.16 66.4 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 178.187 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . 0.812 ' HB3' ' O ' ' B' ' 98' ' ' GLU . . . -56.79 -45.03 82.42 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.416 -1.266 . . . . 0.0 111.786 179.403 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 102' ' ' LEU . . . . . 0.683 HD12 HG23 ' B' ' 103' ' ' THR . 0.4 OUTLIER -118.48 27.08 9.15 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.768 -177.329 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 103' ' ' THR . . . . . 0.683 HG23 HD12 ' B' ' 102' ' ' LEU . 31.8 p -141.57 -33.83 0.5 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.702 0.287 . . . . 0.0 111.365 179.521 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 68.42 28.42 6.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.958 0.408 . . . . 0.0 110.448 -179.608 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 6.0 m -53.74 -76.07 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.754 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 1.1 m 168.63 105.88 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.493 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -47.72 -34.9 8.89 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.911 0.386 . . . . 0.0 110.657 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 5.3 mmtt -65.91 -46.22 79.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.205 0.526 . . . . 0.0 109.711 178.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 109' ' ' ASP . . . . . 0.719 ' O ' HD12 ' B' ' 113' ' ' LEU . 62.9 m-20 -62.87 -36.99 85.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.836 178.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 110' ' ' LEU . . . . . 0.904 HD11 ' HB2' ' B' ' 100' ' ' HIS . 20.3 mt -60.93 -50.64 72.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.922 179.107 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.94 -43.07 66.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.873 179.732 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 112' ' ' PHE . . . . . 0.862 ' O ' HG23 ' B' ' 116' ' ' VAL . 1.9 t80 -62.03 -38.42 88.64 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.801 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 113' ' ' LEU . . . . . 0.719 HD12 ' O ' ' B' ' 109' ' ' ASP . 0.4 OUTLIER -75.51 -34.46 60.82 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.156 -179.768 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 114' ' ' HIS . . . . . 0.72 ' HA ' HD21 ' B' ' 93' ' ' LEU . 98.1 m-70 -60.91 -37.11 81.11 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 178.591 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.81 -37.6 64.86 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 178.508 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 116' ' ' VAL . . . . . 0.952 HG11 ' CB ' ' A' ' 14' ' ' ALA . 47.5 t -59.05 -23.77 25.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.234 -0.894 . . . . 0.0 109.96 178.47 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 117' ' ' PHE . . . . . 0.625 ' HZ ' HD11 ' A' ' 18' ' ' LEU . 22.2 m-85 -105.06 -29.88 10.12 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.365 -179.782 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 118' ' ' GLN . . . . . 0.43 ' NE2' ' O ' ' B' ' 114' ' ' HIS . 0.0 OUTLIER -63.43 -29.47 70.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.236 -179.595 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -46.34 131.56 10.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.45 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -72.77 -46.49 53.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.731 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -55.95 -34.71 65.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.694 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . 0.862 HD12 HD12 ' B' ' 125' ' ' LEU . 44.3 tp -56.35 -49.16 75.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.307 179.703 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 123' ' ' HIS . . . . . 0.943 ' HA ' HD12 ' B' ' 126' ' ' LEU . 46.3 m170 -53.07 -26.05 14.84 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.201 179.106 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 124' ' ' THR . . . . . 0.572 HG21 HG23 ' A' ' 61' ' ' VAL . 5.7 m -77.54 -34.67 53.8 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.042 179.298 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . 0.862 HD12 HD12 ' B' ' 122' ' ' LEU . 13.1 mt -65.98 -38.95 89.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.779 179.694 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . 0.943 HD12 ' HA ' ' B' ' 123' ' ' HIS . 0.3 OUTLIER -73.54 -46.46 47.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.431 -179.64 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -56.6 -51.48 68.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.995 0.426 . . . . 0.0 110.899 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . 0.803 HD21 ' CD2' ' C' ' 59' ' ' TYR . 9.9 mt -71.14 -29.04 64.73 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.331 179.495 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 129' ' ' TYR . . . . . 0.955 ' CE2' HG23 ' A' ' 43' ' ' ILE . 0.2 OUTLIER -55.19 -53.84 50.93 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.164 -179.239 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 130' ' ' ASP . . . . . 0.43 ' HB3' ' CD2' ' B' ' 82' ' ' LEU . 2.4 m-20 -77.65 -31.04 52.45 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.156 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 131' ' ' LYS . . . . . 0.674 ' HD2' HD13 ' B' ' 82' ' ' LEU . 0.3 OUTLIER -54.94 -52.02 64.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.877 179.876 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 132' ' ' ILE . . . . . 0.596 HD12 ' O ' ' B' ' 128' ' ' LEU . 3.0 mt -76.15 -39.13 35.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.636 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 133' ' ' ASN . . . . . . . . . . . . . 33.7 t30 -64.19 -28.6 69.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.92 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 134' ' ' THR . . . . . 0.65 HG22 ' O ' ' B' ' 134' ' ' THR . 61.6 m -95.51 23.01 6.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.289 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 47.03 26.68 0.64 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.592 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 -179.479 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 7' ' ' ARG . . . . . 0.4 ' NH1' ' HB2' ' C' ' 7' ' ' ARG . 12.2 ttm105 . . . . . 0 CA--C 1.521 -0.173 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.93 -42.6 94.53 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.005 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 51.3 mm-40 -73.84 -30.83 62.9 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.944 179.018 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.47 -29.72 52.81 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.367 179.442 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 11' ' ' THR . . . . . 0.438 HG21 ' CD1' ' C' ' 53' ' ' ILE . 1.9 p -71.4 -43.62 66.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.391 179.667 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 12' ' ' GLN . . . . . 0.434 ' HA ' HD23 ' C' ' 15' ' ' LEU . 0.7 OUTLIER -66.78 -42.65 85.67 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-O 120.919 0.39 . . . . 0.0 110.272 179.541 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 -67.81 -26.19 65.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.155 179.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 14' ' ' ALA . . . . . 0.693 ' CB ' HG11 ' D' ' 116' ' ' VAL . . . -78.64 -54.8 5.74 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.679 178.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 15' ' ' LEU . . . . . 0.83 HD22 ' HB3' ' C' ' 44' ' ' PHE . 0.3 OUTLIER -64.37 -27.14 68.81 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.612 179.227 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 16' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -70.94 -45.41 64.23 Favored 'General case' 0 C--O 1.234 0.268 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 178.196 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . 0.745 HD22 ' CE1' ' C' ' 21' ' ' TYR . 4.0 mt -63.73 -35.37 80.36 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.135 -0.938 . . . . 0.0 109.177 178.171 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . 1.012 HD22 HG23 ' C' ' 37' ' ' ILE . 13.2 mt -62.19 -42.25 99.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 114.966 -1.015 . . . . 0.0 110.752 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . 0.426 ' O ' ' HG2' ' C' ' 22' ' ' ARG . 20.7 mm-40 -62.4 -48.17 80.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.11 0.481 . . . . 0.0 110.942 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 20' ' ' GLU . . . . . 0.447 ' O ' ' HG3' ' C' ' 24' ' ' LYS . 6.1 mt-10 -70.86 -31.62 68.37 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.145 179.744 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 21' ' ' TYR . . . . . 0.745 ' CE1' HD22 ' C' ' 17' ' ' LEU . 8.4 m-30 -69.93 -46.16 65.95 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.818 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 22' ' ' ARG . . . . . 0.504 ' HB3' ' HB ' ' C' ' 37' ' ' ILE . 2.8 ptm180 -59.87 -39.81 86.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.87 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 23' ' ' SER . . . . . 0.45 ' N ' ' HG3' ' C' ' 22' ' ' ARG . 74.2 p -61.9 -46.23 90.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 24' ' ' LYS . . . . . 0.447 ' HG3' ' O ' ' C' ' 20' ' ' GLU . 45.7 mtpt -74.43 -31.46 62.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.312 0.577 . . . . 0.0 110.41 179.473 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 25' ' ' LEU . . . . . 1.024 HD11 ' HG ' ' C' ' 33' ' ' LEU . 0.3 OUTLIER -56.78 -73.66 0.06 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.168 -0.924 . . . . 0.0 111.726 -179.445 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . 0.505 ' HB3' ' HB3' ' C' ' 34' ' ' ARG . 24.4 p -58.92 -157.83 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.295 -179.138 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 27' ' ' GLN . . . . . 0.419 ' OE1' ' NH1' ' C' ' 31' ' ' ARG . 2.8 mp0 59.01 24.21 12.42 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.504 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 28' ' ' THR . . . . . 0.674 HG23 ' H ' ' C' ' 29' ' ' GLU . 6.8 t -148.74 -60.24 0.23 Allowed 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 121.088 0.471 . . . . 0.0 111.702 -179.017 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 29' ' ' GLU . . . . . 0.674 ' H ' HG23 ' C' ' 28' ' ' THR . 12.7 pt-20 -175.33 27.99 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.394 -179.102 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 30' ' ' ASP . . . . . 0.463 ' HB3' ' HB3' ' C' ' 33' ' ' LEU . 1.6 m-20 -152.29 56.84 0.83 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.159 0.504 . . . . 0.0 110.726 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . 0.518 ' O ' ' HG2' ' C' ' 34' ' ' ARG . 10.0 mmm180 -68.86 -43.17 75.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.405 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 21.6 tp60 -63.74 -34.14 77.22 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.178 0.513 . . . . 0.0 109.804 179.015 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 33' ' ' LEU . . . . . 1.024 ' HG ' HD11 ' C' ' 25' ' ' LEU . 0.1 OUTLIER -62.53 -48.96 77.25 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.639 179.625 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 34' ' ' ARG . . . . . 0.518 ' HG2' ' O ' ' C' ' 31' ' ' ARG . 0.7 OUTLIER -60.85 -31.87 71.29 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 179.094 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.15 -39.81 93.85 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.695 178.566 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 36' ' ' SER . . . . . 0.509 ' O ' ' HG2' ' C' ' 39' ' ' ARG . 2.1 m -62.4 -43.6 98.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.539 0.685 . . . . 0.0 109.835 178.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 37' ' ' ILE . . . . . 1.012 HG23 HD22 ' C' ' 18' ' ' LEU . 65.7 mt -60.97 -37.2 76.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.744 179.119 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -60.92 -51.77 67.87 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.525 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 39' ' ' ARG . . . . . 0.723 ' HG3' ' HB1' ' D' ' 88' ' ' ALA . 2.6 ptp180 -55.1 -37.8 67.3 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . 0.429 HG11 HD11 ' C' ' 18' ' ' LEU . 89.5 t -64.83 -33.64 64.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.757 178.395 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 41' ' ' ILE . . . . . 0.806 HG22 ' NE2' ' C' ' 45' ' ' GLN . 25.6 mm -65.22 -59.62 3.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 179.396 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 23.9 t -55.6 -44.03 76.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.925 0.393 . . . . 0.0 110.653 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 43' ' ' ILE . . . . . 0.556 HD13 ' HA ' ' D' ' 85' ' ' ALA . 13.7 mt -59.84 -35.83 62.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.803 179.239 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 44' ' ' PHE . . . . . 0.83 ' HB3' HD22 ' C' ' 15' ' ' LEU . 2.6 m-85 -73.12 -58.48 3.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.303 178.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 45' ' ' GLN . . . . . 0.806 ' NE2' HG22 ' C' ' 41' ' ' ILE . 25.4 mt-30 -63.03 -21.68 66.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.72 -179.205 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 46' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -39.76 149.44 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.953 0.406 . . . . 0.0 111.814 -179.269 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -72.79 -28.4 62.56 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.388 -179.464 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . 0.745 HD21 ' HB ' ' D' ' 132' ' ' ILE . 0.4 OUTLIER -79.2 -47.46 15.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.02 0.438 . . . . 0.0 110.212 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 49' ' ' PHE . . . . . 0.899 ' CE2' HD11 ' C' ' 53' ' ' ILE . 85.0 t80 -51.22 -55.71 16.65 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.297 -179.539 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 -54.75 -41.9 70.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.996 0.427 . . . . 0.0 110.485 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 51' ' ' ALA . . . . . 0.409 ' O ' HG12 ' C' ' 55' ' ' ILE . . . -58.76 -49.18 78.62 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.603 179.576 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 52' ' ' LEU . . . . . 0.737 HD12 ' CD1' ' C' ' 48' ' ' LEU . 0.5 OUTLIER -57.95 -45.64 86.31 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.39 179.388 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 53' ' ' ILE . . . . . 0.899 HD11 ' CE2' ' C' ' 49' ' ' PHE . 35.6 mt -51.16 -40.09 21.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 121.081 0.467 . . . . 0.0 110.087 178.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -66.88 -34.34 77.58 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.249 179.193 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 55' ' ' ILE . . . . . 0.72 HG22 ' HB2' ' C' ' 59' ' ' TYR . 37.3 mm -56.0 -40.83 65.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.852 179.678 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 56' ' ' GLN . . . . . 0.442 HE21 HD21 ' D' ' 125' ' ' LEU . 0.3 OUTLIER -52.71 -20.75 3.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.648 -179.861 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 57' ' ' GLU . . . . . 0.404 ' O ' ' CG ' ' C' ' 58' ' ' PHE . 2.4 mm-40 -42.96 -46.61 5.49 Favored 'General case' 0 N--CA 1.462 0.169 0 N-CA-C 111.712 0.264 . . . . 0.0 111.712 -179.777 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 58' ' ' PHE . . . . . 0.466 ' CD1' ' HB2' ' A' ' 65' ' ' ASP . 90.3 m-85 -157.57 27.58 0.28 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.762 0.315 . . . . 0.0 111.645 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 59' ' ' TYR . . . . . 0.856 ' CE2' HD11 ' A' ' 63' ' ' LEU . 42.0 m-85 -126.27 75.42 1.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.248 179.43 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.93 96.21 0.13 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.813 0.34 . . . . 0.0 111.067 -179.557 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 61' ' ' VAL . . . . . 0.636 HG12 HG13 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -72.93 98.96 0.94 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.188 0 CA-C-O 120.8 0.333 . . . . 0.0 110.906 179.695 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 62' ' ' THR . . . . . . . . . . . . . 22.3 m -83.66 117.03 22.92 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.65 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 63' ' ' LEU . . . . . 0.498 ' C ' HD23 ' C' ' 64' ' ' LEU . 0.1 OUTLIER -89.93 129.62 36.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.786 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 64' ' ' LEU . . . . . 0.874 HD23 ' N ' ' C' ' 64' ' ' LEU . 0.0 OUTLIER -108.17 -29.75 8.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.472 -179.805 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 65' ' ' ASP . . . . . 0.45 ' HB2' ' CG ' ' A' ' 58' ' ' PHE . 0.1 OUTLIER -149.38 -85.22 0.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.067 179.898 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 66' ' ' ASN . . . . . . . . . . . . . 6.2 p30 . . . . . 0 C--N 1.332 -0.179 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.023 179.95 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 81' ' ' GLY . . . . . 0.403 ' O ' ' HB2' ' D' ' 85' ' ' ALA . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 111.598 -0.601 . . . . 0.0 111.598 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 82' ' ' LEU . . . . . 0.492 HD23 ' O ' ' D' ' 82' ' ' LEU . 6.7 tt -103.53 -25.84 13.06 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 122.671 0.389 . . . . 0.0 111.35 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 83' ' ' LEU . . . . . 0.931 HD23 ' H ' ' D' ' 84' ' ' ALA . 0.0 OUTLIER -79.09 -50.93 10.26 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.998 -178.924 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' D' D ' 84' ' ' ALA . . . . . 0.963 ' HB1' ' HB2' ' D' ' 88' ' ' ALA . . . -74.51 -23.26 58.81 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.297 -179.459 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 85' ' ' ALA . . . . . 0.899 ' HB1' ' HB3' ' D' ' 126' ' ' LEU . . . -51.99 -25.71 8.97 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.529 -0.468 . . . . 0.0 109.875 179.316 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 86' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -124.33 -35.36 2.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.141 178.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 87' ' ' ARG . . . . . 0.704 ' HB3' ' O ' ' D' ' 83' ' ' LEU . 17.0 ttt180 -71.92 -38.83 69.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.703 179.655 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 88' ' ' ALA . . . . . 0.963 ' HB2' ' HB1' ' D' ' 84' ' ' ALA . . . -73.41 -36.88 66.07 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.037 -179.552 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 89' ' ' VAL . . . . . 0.774 HG13 ' CD1' ' D' ' 117' ' ' PHE . 45.8 t -76.27 -37.56 32.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.721 179.635 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 38.4 m -76.22 -40.57 51.82 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.439 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 91' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -66.25 -46.52 76.83 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 121.125 0.488 . . . . 0.0 109.871 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 92' ' ' VAL . . . . . 0.606 HG23 ' O ' ' D' ' 88' ' ' ALA . 60.0 t -68.62 -27.76 37.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.394 178.008 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 93' ' ' LEU . . . . . 0.699 HD21 ' HA ' ' D' ' 114' ' ' HIS . 1.7 mt -62.12 -41.18 97.99 Favored 'General case' 0 C--O 1.231 0.089 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.297 179.733 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.19 -29.84 34.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.225 -179.625 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 95' ' ' SER . . . . . 0.805 ' HB3' HD21 ' C' ' 33' ' ' LEU . 20.0 m -79.9 -24.58 41.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.289 -0.414 . . . . 0.0 112.067 -179.344 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 96' ' ' LEU . . . . . 0.696 HD22 HD22 ' D' ' 110' ' ' LEU . 0.2 OUTLIER -38.75 -49.84 1.62 Allowed 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -179.331 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -64.83 -32.05 73.56 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.564 -179.188 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 98' ' ' GLU . . . . . 0.803 ' O ' ' HB3' ' D' ' 101' ' ' ALA . 0.1 OUTLIER -69.05 -35.96 77.17 Favored 'General case' 0 C--O 1.237 0.405 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 178.018 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' D' D ' 99' ' ' ILE . . . . . 0.905 HD13 HD11 ' C' ' 37' ' ' ILE . 20.3 mt -60.2 -48.52 87.78 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.883 0 CA-C-N 114.283 -1.326 . . . . 0.0 110.254 178.76 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 100' ' ' HIS . . . . . 0.743 ' HB2' HD11 ' D' ' 110' ' ' LEU . 1.9 t-160 -57.64 -35.7 70.86 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 178.215 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 101' ' ' ALA . . . . . 0.803 ' HB3' ' O ' ' D' ' 98' ' ' GLU . . . -53.66 -43.05 68.5 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 114.662 -1.154 . . . . 0.0 111.406 179.156 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 102' ' ' LEU . . . . . 0.79 HD21 ' OE2' ' D' ' 98' ' ' GLU . 0.3 OUTLIER -118.04 22.23 12.34 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -177.679 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' D' D ' 103' ' ' THR . . . . . 0.619 HG23 HD12 ' D' ' 102' ' ' LEU . 42.7 p -140.47 -10.49 1.07 Allowed 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 55.23 23.73 5.73 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.917 0.389 . . . . 0.0 110.759 -179.397 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 105' ' ' SER . . . . . 0.496 ' HB3' ' CE1' ' C' ' 21' ' ' TYR . 0.2 OUTLIER -58.92 -19.58 43.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.161 179.77 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' D' D ' 106' ' ' SER . . . . . 0.413 ' CB ' ' O ' ' D' ' 105' ' ' SER . 4.3 t 81.1 121.09 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.465 -179.593 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -53.15 -23.75 9.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.289 -179.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 1.4 mmtp -60.54 -55.61 31.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.133 0.492 . . . . 0.0 110.162 179.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 109' ' ' ASP . . . . . 0.63 ' O ' HD12 ' D' ' 113' ' ' LEU . 7.4 m-20 -62.27 -36.71 82.92 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.552 178.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 110' ' ' LEU . . . . . 0.743 HD11 ' HB2' ' D' ' 100' ' ' HIS . 19.1 mt -60.93 -45.54 94.3 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.779 178.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 111' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -54.64 -45.93 73.84 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.686 179.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 112' ' ' PHE . . . . . 0.43 ' O ' HG23 ' D' ' 116' ' ' VAL . 0.6 OUTLIER -60.13 -38.94 84.57 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.668 179.751 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' D' D ' 113' ' ' LEU . . . . . 0.71 HD11 HD12 ' C' ' 17' ' ' LEU . 0.4 OUTLIER -76.24 -34.94 59.2 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.179 -179.742 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' D' D ' 114' ' ' HIS . . . . . 0.699 ' HA ' HD21 ' D' ' 93' ' ' LEU . 97.0 m-70 -59.93 -34.77 73.67 Favored 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 178.185 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 115' ' ' SER . . . . . . . . . . . . . 3.7 t -74.24 -38.32 63.54 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 178.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 116' ' ' VAL . . . . . 0.851 ' O ' HD22 ' D' ' 122' ' ' LEU . 14.0 t -59.41 -23.83 26.44 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.73 178.511 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 117' ' ' PHE . . . . . 0.774 ' CD1' HG13 ' D' ' 89' ' ' VAL . 24.2 m-85 -103.42 -30.36 10.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.157 -179.711 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 118' ' ' GLN . . . . . 0.421 ' NE2' ' O ' ' D' ' 114' ' ' HIS . 0.0 OUTLIER -65.26 -30.14 70.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.028 -179.607 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -45.43 113.04 0.52 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.47 -179.575 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 120' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -58.17 -35.48 71.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.696 179.793 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 121' ' ' HIS . . . . . 0.4 ' O ' ' HG ' ' D' ' 125' ' ' LEU . 16.0 m80 -62.84 -35.54 80.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.647 179.699 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 122' ' ' LEU . . . . . 0.851 HD22 ' O ' ' D' ' 116' ' ' VAL . 44.3 tp -56.52 -49.1 75.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.641 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 123' ' ' HIS . . . . . 1.005 ' HA ' HD12 ' D' ' 126' ' ' LEU . 11.7 m170 -55.38 -23.83 26.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.249 179.159 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 124' ' ' THR . . . . . 0.588 HG21 HG23 ' C' ' 61' ' ' VAL . 2.3 m -76.31 -38.72 55.65 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 178.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 125' ' ' LEU . . . . . 0.82 HD12 HD12 ' D' ' 122' ' ' LEU . 2.8 mt -70.79 -28.64 64.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.748 178.568 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 126' ' ' LEU . . . . . 1.005 HD12 ' HA ' ' D' ' 123' ' ' HIS . 11.5 mt -73.6 -50.76 19.58 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.648 -179.483 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 127' ' ' ASP . . . . . 0.424 ' OD2' ' HA ' ' D' ' 124' ' ' THR . 1.3 p30 -64.86 -38.89 92.49 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 179.087 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 128' ' ' LEU . . . . . 0.83 HD21 ' CD2' ' A' ' 59' ' ' TYR . 44.2 mt -73.65 -29.7 62.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.855 178.522 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 129' ' ' TYR . . . . . 0.743 ' HA ' HD12 ' C' ' 48' ' ' LEU . 7.8 t80 -55.7 -52.34 64.22 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.579 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 130' ' ' ASP . . . . . 0.429 ' CG ' ' HB2' ' D' ' 82' ' ' LEU . 11.4 t70 -76.98 -31.26 56.39 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.691 -0.404 . . . . 0.0 111.323 179.514 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.44 -50.45 67.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.038 -179.522 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 132' ' ' ILE . . . . . 0.745 ' HB ' HD21 ' C' ' 48' ' ' LEU . 5.0 mt -78.77 -38.66 21.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.827 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 133' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -63.42 -27.04 69.02 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.119 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 134' ' ' THR . . . . . . . . . . . . . 90.8 m -82.28 -45.92 14.34 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.143 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 135' ' ' LYS . . . . . . . . . . . . . 2.3 mmpt? -56.99 -35.35 69.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 136' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.784 179.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.825 ' O ' HG23 ' A' ' 11' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.209 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.54 -36.8 83.78 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 121.145 0.497 . . . . 0.0 109.832 179.047 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 59.2 mm-40 -76.71 -28.65 55.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.219 179.199 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.698 ' HB3' HG22 ' B' ' 116' ' ' VAL . 5.5 m-20 -78.97 -32.62 45.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.446 179.662 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.825 HG23 ' O ' ' A' ' 7' ' ' ARG . 79.3 p -72.76 -41.36 65.17 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.426 179.539 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.412 ' HA ' HD23 ' A' ' 15' ' ' LEU . 0.6 OUTLIER -69.55 -40.19 76.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.323 179.583 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.6 ttm180 -73.31 -24.63 60.42 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.074 179.157 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.806 ' CB ' HG11 ' B' ' 116' ' ' VAL . . . -78.6 -51.28 10.13 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.104 179.155 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.878 HD22 ' HB3' ' A' ' 44' ' ' PHE . 0.4 OUTLIER -67.76 -25.05 65.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.645 179.579 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.3 m170 -72.99 -45.85 55.56 Favored 'General case' 0 CA--C 1.518 -0.27 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 178.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.941 HD22 ' CE1' ' A' ' 21' ' ' TYR . 3.0 mt -63.35 -35.5 80.59 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.227 178.352 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.898 ' CD2' HG11 ' B' ' 92' ' ' VAL . 31.8 mt -63.36 -40.95 98.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.133 -0.94 . . . . 0.0 110.503 179.517 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.624 ' CD ' HG21 ' A' ' 41' ' ' ILE . 2.2 mt-10 -64.04 -38.61 91.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.489 179.665 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.65 -36.95 62.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.225 179.679 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.941 ' CE1' HD22 ' A' ' 17' ' ' LEU . 11.8 m-30 -67.52 -46.47 72.74 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.925 179.561 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.543 ' HA ' HD13 ' A' ' 37' ' ' ILE . 4.2 ttt180 -55.58 -51.33 67.47 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.792 179.531 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 72.2 p -57.96 -36.98 73.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.115 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.421 ' O ' HG22 ' B' ' 103' ' ' THR . 8.4 ptmt -96.09 4.0 52.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.702 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.986 HD12 HD11 ' A' ' 37' ' ' ILE . 0.2 OUTLIER -94.05 -66.09 0.94 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.002 0.429 . . . . 0.0 111.149 -179.751 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.531 ' HB3' ' HB2' ' A' ' 34' ' ' ARG . 1.5 p -60.41 -157.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.144 -179.187 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.423 ' OE1' ' NH1' ' A' ' 31' ' ' ARG . 1.3 mp0 59.62 28.14 17.5 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 120.964 0.412 . . . . 0.0 110.459 -179.762 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.767 HG23 ' H ' ' A' ' 29' ' ' GLU . 3.7 t -150.3 -63.51 0.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.379 -179.546 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.767 ' H ' HG23 ' A' ' 28' ' ' THR . 26.8 pt-20 -170.01 27.66 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.68 -179.289 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.536 ' HB2' HD22 ' A' ' 25' ' ' LEU . 4.8 m-20 -146.74 56.33 1.14 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.999 0.428 . . . . 0.0 110.783 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.423 ' NH1' ' OE1' ' A' ' 27' ' ' GLN . 12.9 mmm180 -66.23 -48.27 71.11 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.143 179.781 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -58.72 -48.94 79.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.799 178.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.845 HD21 ' HB3' ' B' ' 95' ' ' SER . 9.4 tp -53.51 -35.51 60.72 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.032 178.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.638 ' HA ' HD12 ' A' ' 37' ' ' ILE . 6.7 ttp180 -60.67 -43.96 97.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.722 178.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.6 m -60.67 -32.65 71.84 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.47 -0.787 . . . . 0.0 110.456 179.234 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.427 ' O ' ' HG2' ' A' ' 39' ' ' ARG . 61.0 m -66.41 -51.29 58.5 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.93 0.395 . . . . 0.0 110.628 179.695 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.986 HD11 HD12 ' A' ' 25' ' ' LEU . 6.4 mt -56.55 -40.58 69.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.268 0.556 . . . . 0.0 109.83 179.152 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.81 -52.59 64.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.042 -0.981 . . . . 0.0 111.909 -179.636 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.58 ' HG3' ' HB1' ' B' ' 88' ' ' ALA . 3.0 ptp180 -55.77 -34.59 65.38 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.066 -179.649 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.663 HG12 ' CD2' ' A' ' 44' ' ' PHE . 98.5 t -66.83 -34.42 69.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 178.17 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.685 HD11 ' HB3' ' A' ' 18' ' ' LEU . 12.4 mm -64.96 -61.07 1.87 Allowed 'Isoleucine or valine' 0 C--O 1.227 -0.131 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.05 179.232 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.3 p -54.97 -47.33 74.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.626 -179.423 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.773 HG23 ' CE2' ' B' ' 129' ' ' TYR . 14.2 mt -59.88 -32.01 48.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.738 178.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.878 ' HB3' HD22 ' A' ' 15' ' ' LEU . 0.5 OUTLIER -72.59 -58.59 3.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.819 178.926 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.585 ' NE2' HG22 ' A' ' 41' ' ' ILE . 22.3 mt-30 -66.63 -17.23 64.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.515 -179.563 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.456 ' CB ' ' CE1' ' B' ' 129' ' ' TYR . 1.2 m -38.81 127.02 1.56 Allowed 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.94 0.4 . . . . 0.0 111.623 -179.53 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -55.04 -29.74 58.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.295 -179.806 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.788 ' O ' HD12 ' A' ' 48' ' ' LEU . 1.3 tp -79.84 -47.91 14.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.71 0.291 . . . . 0.0 110.803 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.798 ' CE2' HD11 ' A' ' 53' ' ' ILE . 79.7 t80 -50.99 -51.98 47.37 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.865 -179.677 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -59.28 -35.83 74.47 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.93 0.395 . . . . 0.0 110.427 179.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 48' ' ' LEU . . . -58.79 -43.67 90.52 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.321 179.565 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.504 HD13 ' O ' ' B' ' 125' ' ' LEU . 1.8 mt -62.24 -44.1 97.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.103 179.206 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.798 HD11 ' CE2' ' A' ' 49' ' ' PHE . 53.5 mt -52.09 -41.99 33.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.558 179.391 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -67.24 -38.1 84.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.411 179.398 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.687 HG22 ' HB2' ' A' ' 59' ' ' TYR . 68.3 mt -61.59 -41.51 90.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.641 179.564 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -51.92 -23.44 4.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.609 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.405 ' O ' ' CD1' ' A' ' 58' ' ' PHE . 68.4 mt-10 -47.1 -36.82 8.77 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.692 -179.685 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.468 ' CG ' ' HB3' ' C' ' 65' ' ' ASP . 61.2 m-85 -154.28 30.08 0.44 Allowed 'General case' 0 C--O 1.234 0.251 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 -179.529 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.981 ' CD2' HD21 ' D' ' 128' ' ' LEU . 57.5 m-85 -134.09 75.39 1.59 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.563 179.477 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.405 ' HB2' ' HB ' ' C' ' 62' ' ' THR . 1.0 OUTLIER -63.26 100.35 0.23 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.8 -179.743 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.598 HG12 ' HB3' ' C' ' 59' ' ' TYR . 0.0 OUTLIER -72.83 96.94 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.966 0.412 . . . . 0.0 110.684 179.841 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.419 ' HB ' ' CB ' ' C' ' 60' ' ' GLU . 1.7 m -72.34 116.95 13.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.975 -179.788 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.654 HD11 ' CZ ' ' C' ' 59' ' ' TYR . 2.9 tp -88.27 118.48 27.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.337 179.423 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.511 ' N ' HD23 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -106.96 -28.48 10.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.341 -179.71 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.42 ' HB2' ' CG ' ' C' ' 58' ' ' PHE . 2.4 t0 -64.9 -47.12 78.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.95 0.405 . . . . 0.0 110.465 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.465 0.301 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.644 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.382 0 N-CA-C 111.617 -0.593 . . . . 0.0 111.617 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.74 HD23 ' O ' ' B' ' 82' ' ' LEU . 8.8 tt -110.22 -23.17 11.39 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 122.498 0.319 . . . . 0.0 111.579 -179.561 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . 0.885 HD23 ' H ' ' B' ' 84' ' ' ALA . 0.0 OUTLIER -72.44 -49.45 33.34 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.007 0.432 . . . . 0.0 110.677 -179.578 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.885 ' H ' HD23 ' B' ' 83' ' ' LEU . . . -67.98 -25.6 65.51 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.58 -178.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 85' ' ' ALA . . . . . 0.822 ' HB1' ' HB3' ' B' ' 126' ' ' LEU . . . -52.5 -24.71 8.54 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.494 -0.482 . . . . 0.0 110.198 179.383 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -126.02 -44.81 1.75 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.991 178.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 87' ' ' ARG . . . . . 0.666 ' HB3' ' O ' ' B' ' 83' ' ' LEU . 7.7 ttt85 -57.9 -47.46 82.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.355 179.139 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . 0.699 ' HB3' ' O ' ' B' ' 84' ' ' ALA . . . -56.36 -46.25 80.1 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.406 -0.816 . . . . 0.0 111.373 -179.267 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 89' ' ' VAL . . . . . 0.554 HG12 ' HB3' ' B' ' 117' ' ' PHE . 25.4 t -69.61 -30.17 44.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.074 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 13.4 t -74.7 -35.5 62.73 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.79 -179.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 91' ' ' GLN . . . . . 0.584 ' HG3' ' O ' ' B' ' 87' ' ' ARG . 6.2 mt-30 -68.69 -52.91 25.85 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-O 121.2 0.524 . . . . 0.0 109.633 179.741 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 92' ' ' VAL . . . . . 0.898 HG11 ' CD2' ' A' ' 18' ' ' LEU . 12.5 t -63.55 -27.83 43.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.086 179.364 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . 0.797 HD21 ' HA ' ' B' ' 114' ' ' HIS . 1.8 mt -66.54 -43.28 85.53 Favored 'General case' 0 C--N 1.337 0.041 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.448 179.667 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.57 -33.89 35.77 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.81 -179.73 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 95' ' ' SER . . . . . 0.845 ' HB3' HD21 ' A' ' 33' ' ' LEU . 8.2 m -79.96 -22.91 42.05 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.568 -179.773 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . 0.998 HD22 HD22 ' B' ' 110' ' ' LEU . 0.2 OUTLIER -38.01 -52.59 1.39 Allowed 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -179.358 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -70.11 -28.32 65.29 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.971 0.415 . . . . 0.0 111.022 -179.356 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . 0.802 ' O ' ' HB3' ' B' ' 101' ' ' ALA . 0.1 OUTLIER -69.82 -34.79 74.15 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.796 -1.186 . . . . 0.0 107.796 177.755 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 99' ' ' ILE . . . . . 0.619 HG23 HG21 ' B' ' 103' ' ' THR . 39.8 mt -62.45 -49.79 82.45 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.777 0 CA-C-N 114.446 -1.252 . . . . 0.0 109.88 178.595 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . 0.909 ' HB2' HD11 ' B' ' 110' ' ' LEU . 1.9 t-160 -56.57 -33.76 66.46 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 178.231 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . 0.802 ' HB3' ' O ' ' B' ' 98' ' ' GLU . . . -56.65 -45.61 81.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 114.459 -1.246 . . . . 0.0 111.899 179.419 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 102' ' ' LEU . . . . . 0.78 HD21 ' OE2' ' B' ' 98' ' ' GLU . 0.4 OUTLIER -117.37 26.5 9.7 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.615 -0.721 . . . . 0.0 112.684 -177.361 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 103' ' ' THR . . . . . 0.675 HG23 HD12 ' B' ' 102' ' ' LEU . 33.9 p -140.64 -31.98 0.6 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.717 0.294 . . . . 0.0 111.534 179.677 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 13.1 t70 68.45 27.47 6.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.905 0.384 . . . . 0.0 110.397 -179.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 3.3 m -54.31 -76.78 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.724 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 167.76 104.01 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.56 179.774 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -47.97 -32.86 6.99 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.92 0.39 . . . . 0.0 110.637 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.56 -46.61 72.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.629 178.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 109' ' ' ASP . . . . . 0.654 ' O ' HD12 ' B' ' 113' ' ' LEU . 60.4 m-20 -63.05 -36.93 85.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.721 178.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 110' ' ' LEU . . . . . 0.998 HD22 HD22 ' B' ' 96' ' ' LEU . 29.5 mt -60.26 -39.78 88.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.899 179.049 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.8 -43.68 95.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.559 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 112' ' ' PHE . . . . . 0.409 ' O ' HG23 ' B' ' 116' ' ' VAL . 2.7 t80 -58.44 -38.75 78.11 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.416 179.716 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 113' ' ' LEU . . . . . 0.688 HD11 ' CD1' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -76.11 -31.28 58.6 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.944 -179.766 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 114' ' ' HIS . . . . . 0.797 ' HA ' HD21 ' B' ' 93' ' ' LEU . 0.0 OUTLIER -64.92 -29.77 70.73 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 178.834 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . 0.433 ' N ' ' CD2' ' B' ' 114' ' ' HIS . 0.3 OUTLIER -79.2 -38.49 35.64 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 177.8 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 116' ' ' VAL . . . . . 0.818 ' O ' HD22 ' B' ' 122' ' ' LEU . 16.5 t -61.99 -23.73 32.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.592 178.07 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 117' ' ' PHE . . . . . 0.61 ' HZ ' HD11 ' A' ' 18' ' ' LEU . 17.9 m-85 -99.98 -30.54 11.94 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.286 -179.692 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 118' ' ' GLN . . . . . 0.487 ' NE2' HD11 ' B' ' 93' ' ' LEU . 0.0 OUTLIER -66.94 -29.4 69.26 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.415 -179.531 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -46.66 114.19 0.78 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.419 -179.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.02 -38.33 85.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.548 179.758 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 121' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -59.64 -34.32 72.65 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.617 179.704 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . 0.851 HD12 HD12 ' B' ' 125' ' ' LEU . 47.7 tp -56.16 -46.29 79.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.504 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 123' ' ' HIS . . . . . 1.01 ' HA ' HD12 ' B' ' 126' ' ' LEU . 38.7 m170 -57.58 -25.33 59.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.07 179.078 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 124' ' ' THR . . . . . 0.4 ' O ' ' HG ' ' B' ' 128' ' ' LEU . 1.8 m -73.74 -37.92 64.92 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.179 -0.675 . . . . 0.0 109.179 178.759 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . 0.851 HD12 HD12 ' B' ' 122' ' ' LEU . 4.3 mt -71.32 -32.32 68.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.602 178.469 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . 1.01 HD12 ' HA ' ' B' ' 123' ' ' HIS . 7.5 mt -73.34 -50.62 21.06 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.145 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.22 -53.04 62.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.095 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . 0.931 HD21 ' CD2' ' C' ' 59' ' ' TYR . 14.3 mt -60.85 -39.06 87.67 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.638 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 129' ' ' TYR . . . . . 0.773 ' CE2' HG23 ' A' ' 43' ' ' ILE . 1.0 OUTLIER -56.34 -40.94 75.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.132 0.491 . . . . 0.0 110.354 179.582 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 130' ' ' ASP . . . . . 0.645 ' OD1' ' HB2' ' B' ' 85' ' ' ALA . 0.3 OUTLIER -76.23 -40.27 52.45 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.196 179.93 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 24.8 mmtt -54.56 -54.12 45.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.358 -179.29 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 132' ' ' ILE . . . . . 0.807 HD12 ' O ' ' B' ' 128' ' ' LEU . 1.8 mt -72.87 -35.86 50.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.912 0.387 . . . . 0.0 110.708 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 133' ' ' ASN . . . . . 0.589 ' HB2' HD23 ' A' ' 48' ' ' LEU . 48.0 t-20 -63.69 -25.88 68.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.818 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 134' ' ' THR . . . . . 0.643 HG22 ' O ' ' B' ' 134' ' ' THR . 58.2 m -94.39 28.81 2.43 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.19 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 135' ' ' LYS . . . . . 0.447 ' HG3' ' O ' ' B' ' 134' ' ' THR . 1.6 pttp 41.81 32.08 0.25 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.696 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 10.8 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.98 179.913 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.13 -36.31 83.2 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.2 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -75.74 -28.93 58.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.026 179.071 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 10' ' ' ASP . . . . . 0.718 ' HB3' HG22 ' D' ' 116' ' ' VAL . 4.4 m-20 -79.47 -30.61 42.17 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.301 179.537 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 3.3 p -73.08 -42.39 63.07 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.542 179.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 12' ' ' GLN . . . . . 0.477 ' HA ' HD23 ' C' ' 15' ' ' LEU . 0.7 OUTLIER -71.13 -38.75 72.26 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.357 179.515 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 18.7 ttm180 -73.04 -24.77 60.75 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.931 178.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 14' ' ' ALA . . . . . 0.856 ' CB ' HG11 ' D' ' 116' ' ' VAL . . . -78.47 -54.23 6.39 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.6 178.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 15' ' ' LEU . . . . . 0.877 ' HA ' HD12 ' C' ' 18' ' ' LEU . 0.4 OUTLIER -62.34 -26.07 68.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.602 179.38 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 16' ' ' HIS . . . . . . . . . . . . . 6.8 m170 -73.19 -45.88 53.83 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 178.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . 0.697 ' CD1' HD11 ' D' ' 113' ' ' LEU . 5.7 mt -63.15 -36.4 83.48 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.458 178.618 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . 0.982 HD22 HG11 ' D' ' 92' ' ' VAL . 38.8 mt -62.99 -46.8 85.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.632 179.587 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . 0.407 ' CG ' HG21 ' C' ' 41' ' ' ILE . 15.4 mt-10 -57.91 -41.51 82.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.767 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -71.53 -32.36 68.07 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.221 179.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 21' ' ' TYR . . . . . 0.67 ' O ' ' HB2' ' C' ' 25' ' ' LEU . 14.4 m-30 -70.13 -48.65 56.58 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.451 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 22' ' ' ARG . . . . . 0.461 ' HB2' ' CG ' ' C' ' 34' ' ' ARG . 6.5 ptm180 -55.66 -42.66 75.39 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.607 179.455 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 17.7 t -59.68 -43.27 94.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.734 179.498 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 24' ' ' LYS . . . . . 0.53 ' O ' HG22 ' D' ' 103' ' ' THR . 10.1 ptmt -98.74 13.17 33.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.74 -179.802 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 25' ' ' LEU . . . . . 0.923 HD12 HD11 ' C' ' 37' ' ' ILE . 0.0 OUTLIER -107.85 -67.5 0.96 Allowed 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.815 0.302 . . . . 0.0 111.815 -179.269 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . 0.589 ' CB ' ' HB2' ' C' ' 34' ' ' ARG . 0.0 OUTLIER -61.74 -18.13 58.58 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -178.399 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 27' ' ' GLN . . . . . 0.435 ' OE1' ' NH1' ' C' ' 31' ' ' ARG . 0.3 OUTLIER -72.65 57.38 0.41 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.946 0.403 . . . . 0.0 111.077 -179.513 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 28' ' ' THR . . . . . 0.632 HG22 ' O ' ' C' ' 25' ' ' LEU . 9.0 t -176.34 -58.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 112.058 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 29' ' ' GLU . . . . . 0.626 ' N ' HG23 ' C' ' 28' ' ' THR . 14.8 pt-20 -168.57 29.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -178.792 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 30' ' ' ASP . . . . . 0.57 ' HB2' HD22 ' C' ' 25' ' ' LEU . 2.0 m-20 -141.93 47.23 1.64 Allowed 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 120.932 -0.307 . . . . 0.0 111.654 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . 0.468 ' HA ' ' HB2' ' C' ' 26' ' ' SER . 10.8 mmm180 -54.87 -51.88 64.56 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.181 0.515 . . . . 0.0 110.715 179.456 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.04 -45.88 75.26 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.098 179.116 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 33' ' ' LEU . . . . . 0.886 HD21 ' HB3' ' D' ' 95' ' ' SER . 3.9 tp -53.1 -35.09 59.25 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.951 179.073 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 34' ' ' ARG . . . . . 0.589 ' HB2' ' CB ' ' C' ' 26' ' ' SER . 6.0 ttp180 -60.76 -45.83 92.8 Favored 'General case' 0 CA--C 1.512 -0.495 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 178.535 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 10.4 t -54.13 -36.9 63.78 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.376 179.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 36' ' ' SER . . . . . 0.484 ' O ' HG23 ' C' ' 40' ' ' VAL . 3.9 p -68.88 -49.63 56.58 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.951 0.405 . . . . 0.0 110.319 179.051 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 37' ' ' ILE . . . . . 0.923 HD11 HD12 ' C' ' 25' ' ' LEU . 52.0 mt -58.1 -38.14 65.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.081 0.467 . . . . 0.0 109.816 178.809 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -61.45 -52.38 64.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.61 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 39' ' ' ARG . . . . . 0.602 ' HG3' ' HB1' ' D' ' 88' ' ' ALA . 4.3 ptp85 -55.52 -35.05 65.21 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.652 -0.419 . . . . 0.0 109.897 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . 0.716 HG12 ' CD2' ' C' ' 44' ' ' PHE . 57.9 t -68.73 -31.96 52.99 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 CA-C-N 116.257 -0.429 . . . . 0.0 109.925 178.336 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 41' ' ' ILE . . . . . 0.622 HG12 ' O ' ' C' ' 37' ' ' ILE . 8.6 mm -69.31 -59.48 3.51 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.601 179.672 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 16.5 p -57.76 -47.16 83.28 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-O 121.022 0.439 . . . . 0.0 110.5 -179.228 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 43' ' ' ILE . . . . . 0.452 ' HA ' ' CZ ' ' D' ' 129' ' ' TYR . 31.2 mt -59.94 -33.08 51.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.966 179.05 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 44' ' ' PHE . . . . . 0.787 ' HB3' HD22 ' C' ' 15' ' ' LEU . 0.2 OUTLIER -73.04 -57.48 4.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.804 -179.932 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 45' ' ' GLN . . . . . 0.402 ' NE2' HG22 ' C' ' 41' ' ' ILE . 5.0 pt20 -80.21 -18.5 49.38 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 -176.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 46' ' ' SER . . . . . 0.437 ' CB ' ' OH ' ' D' ' 129' ' ' TYR . 0.4 OUTLIER -45.28 143.92 1.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.989 0.424 . . . . 0.0 111.328 -179.286 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 47' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -54.94 -22.53 15.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.389 -178.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . 0.658 HD13 ' O ' ' C' ' 48' ' ' LEU . 0.3 OUTLIER -75.74 -46.2 32.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.818 0.342 . . . . 0.0 111.033 -179.475 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 49' ' ' PHE . . . . . 0.906 ' CE2' HD11 ' C' ' 53' ' ' ILE . 19.7 t80 -51.29 -56.3 13.72 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.54 -179.195 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 50.2 mm-40 -51.75 -39.17 58.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.866 0.365 . . . . 0.0 110.739 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 51' ' ' ALA . . . . . 0.514 ' CB ' HG23 ' B' ' 132' ' ' ILE . . . -60.76 -52.24 65.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.764 179.517 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 52' ' ' LEU . . . . . 0.782 HD13 ' O ' ' D' ' 125' ' ' LEU . 1.2 mt -58.33 -46.99 85.17 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.721 179.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 53' ' ' ILE . . . . . 0.906 HD11 ' CE2' ' C' ' 49' ' ' PHE . 63.4 mt -53.64 -36.26 28.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.543 179.541 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.72 -30.64 64.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.623 179.474 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 55' ' ' ILE . . . . . 0.729 HG23 ' CD2' ' B' ' 128' ' ' LEU . 72.7 mt -70.07 -50.95 43.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.163 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 56' ' ' GLN . . . . . 0.407 ' HG2' ' HA ' ' C' ' 53' ' ' ILE . 5.3 pt20 -53.51 -23.15 9.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.533 -179.587 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.71 -35.19 13.49 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.633 0.254 . . . . 0.0 111.023 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 58' ' ' PHE . . . . . 0.422 ' HA ' ' HG ' ' A' ' 64' ' ' LEU . 80.7 m-85 -146.92 16.03 1.21 Allowed 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 59' ' ' TYR . . . . . 0.931 ' CD2' HD21 ' B' ' 128' ' ' LEU . 13.4 m-85 -130.64 62.28 1.6 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.886 0.374 . . . . 0.0 110.675 179.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 60' ' ' GLU . . . . . 0.419 ' CB ' ' HB ' ' A' ' 62' ' ' THR . 0.9 OUTLIER -48.29 95.8 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.976 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 61' ' ' VAL . . . . . 0.599 HG23 HG21 ' D' ' 124' ' ' THR . 0.1 OUTLIER -72.14 104.44 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.993 0.425 . . . . 0.0 111.276 -179.713 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 62' ' ' THR . . . . . 0.432 ' O ' HD23 ' C' ' 64' ' ' LEU . 2.5 m -89.19 110.43 21.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.472 179.753 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 63' ' ' LEU . . . . . 0.47 HD22 ' HB3' ' C' ' 66' ' ' ASN . 0.2 OUTLIER -82.56 132.47 35.19 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.835 -179.912 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 64' ' ' LEU . . . . . 0.681 HD23 ' N ' ' C' ' 64' ' ' LEU . 0.1 OUTLIER -116.75 -31.29 5.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.469 -179.558 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 65' ' ' ASP . . . . . 0.468 ' HB3' ' CG ' ' A' ' 58' ' ' PHE . 2.7 p30 -60.67 -27.46 67.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.897 0.38 . . . . 0.0 110.694 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 66' ' ' ASN . . . . . 0.47 ' HB3' HD22 ' C' ' 63' ' ' LEU . 18.2 p-10 . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.285 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.48 0 N-CA-C 109.543 -1.423 . . . . 0.0 109.543 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 82' ' ' LEU . . . . . 0.804 ' N ' HD23 ' D' ' 82' ' ' LEU . 0.5 OUTLIER -78.13 -24.47 47.41 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 177.67 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' D' D ' 83' ' ' LEU . . . . . 0.998 HD23 ' H ' ' D' ' 84' ' ' ALA . 0.3 OUTLIER -66.53 -47.12 73.88 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.021 -0.991 . . . . 0.0 110.698 -179.835 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' D' D ' 84' ' ' ALA . . . . . 0.998 ' H ' HD23 ' D' ' 83' ' ' LEU . . . -77.82 -20.04 53.9 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.435 -179.216 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 85' ' ' ALA . . . . . 0.87 ' HB1' ' HB2' ' D' ' 126' ' ' LEU . . . -52.3 -23.19 5.39 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.214 0.53 . . . . 0.0 110.112 179.253 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 86' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -128.29 -38.97 1.73 Allowed 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.536 178.72 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 87' ' ' ARG . . . . . 0.698 ' HB3' ' O ' ' D' ' 83' ' ' LEU . 31.9 ttt85 -65.53 -41.0 93.56 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.493 179.288 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 88' ' ' ALA . . . . . 0.983 ' HB2' ' HB1' ' D' ' 84' ' ' ALA . . . -70.6 -46.15 63.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.597 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 89' ' ' VAL . . . . . 0.587 HG12 ' HB3' ' D' ' 117' ' ' PHE . 28.9 t -68.69 -35.82 71.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.34 179.24 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 90' ' ' SER . . . . . 0.451 ' HA ' ' HB2' ' D' ' 93' ' ' LEU . 62.5 m -75.35 -24.75 57.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.632 179.308 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 91' ' ' GLN . . . . . 0.414 ' HB3' ' HB2' ' C' ' 36' ' ' SER . 11.3 mt-30 -67.69 -57.09 6.98 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-O 121.325 0.583 . . . . 0.0 109.627 179.357 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 92' ' ' VAL . . . . . 0.982 HG11 HD22 ' C' ' 18' ' ' LEU . 3.6 t -66.09 -27.99 42.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.262 -0.881 . . . . 0.0 109.902 179.127 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 93' ' ' LEU . . . . . 0.773 HD21 ' HA ' ' D' ' 114' ' ' HIS . 2.3 mt -64.36 -37.9 89.12 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.263 179.7 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -83.22 -35.35 25.49 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.929 0.395 . . . . 0.0 111.136 -179.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 95' ' ' SER . . . . . 0.886 ' HB3' HD21 ' C' ' 33' ' ' LEU . 16.1 m -80.59 -23.36 39.92 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.137 -179.509 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 96' ' ' LEU . . . . . 0.831 HD22 HD22 ' D' ' 110' ' ' LEU . 0.2 OUTLIER -36.83 -52.73 0.93 Allowed 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 112.722 0.638 . . . . 0.0 112.722 -178.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -70.54 -27.95 64.55 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.978 -179.376 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 98' ' ' GLU . . . . . 0.764 ' O ' ' HB3' ' D' ' 101' ' ' ALA . 0.1 OUTLIER -69.83 -34.73 74.05 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 177.597 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' D' D ' 99' ' ' ILE . . . . . 0.572 HG23 HG21 ' D' ' 103' ' ' THR . 24.8 mt -61.45 -49.74 83.24 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.756 0 CA-C-N 114.452 -1.249 . . . . 0.0 109.925 178.437 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 100' ' ' HIS . . . . . 0.816 ' HB2' HD11 ' D' ' 110' ' ' LEU . 1.8 t-160 -57.42 -33.79 68.25 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 178.326 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 101' ' ' ALA . . . . . 0.764 ' HB3' ' O ' ' D' ' 98' ' ' GLU . . . -57.8 -43.07 85.39 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.528 -1.214 . . . . 0.0 111.967 179.5 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 102' ' ' LEU . . . . . 0.657 HD12 HG23 ' D' ' 103' ' ' THR . 0.4 OUTLIER -119.41 25.94 9.75 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 -177.395 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' D' D ' 103' ' ' THR . . . . . 0.657 HG23 HD12 ' D' ' 102' ' ' LEU . 30.9 p -141.25 -32.91 0.53 Allowed 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 120.984 -0.286 . . . . 0.0 111.517 179.727 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 104' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 67.73 28.29 7.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.873 0.368 . . . . 0.0 110.448 -179.427 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 105' ' ' SER . . . . . 0.42 ' OG ' ' CE1' ' C' ' 21' ' ' TYR . 3.7 m -52.84 -75.93 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.892 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 169.64 105.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.405 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -47.48 -39.28 15.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.871 0.367 . . . . 0.0 110.736 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . 5.2 mmtp -63.3 -43.88 96.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.146 0.498 . . . . 0.0 109.853 179.157 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 109' ' ' ASP . . . . . 0.714 ' O ' HD12 ' D' ' 113' ' ' LEU . 2.5 m-20 -65.03 -37.67 88.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.753 178.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 110' ' ' LEU . . . . . 0.831 HD22 HD22 ' D' ' 96' ' ' LEU . 13.3 mt -59.58 -49.67 76.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.929 179.136 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 111' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.66 -42.56 79.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.899 -179.697 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 112' ' ' PHE . . . . . 0.468 ' O ' HG23 ' D' ' 116' ' ' VAL . 2.4 t80 -58.67 -39.91 81.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.36 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 113' ' ' LEU . . . . . 0.714 HD12 ' O ' ' D' ' 109' ' ' ASP . 0.5 OUTLIER -73.71 -30.74 63.03 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.217 -179.704 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' D' D ' 114' ' ' HIS . . . . . 0.773 ' HA ' HD21 ' D' ' 93' ' ' LEU . 65.2 m80 -63.21 -34.85 78.55 Favored 'General case' 0 CA--C 1.517 -0.293 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 178.296 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 115' ' ' SER . . . . . . . . . . . . . 44.1 t -73.0 -39.54 65.97 Favored 'General case' 0 N--CA 1.453 -0.275 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 178.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 116' ' ' VAL . . . . . 0.873 ' O ' HD22 ' D' ' 122' ' ' LEU . 41.3 t -62.28 -23.39 31.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.141 -0.936 . . . . 0.0 109.698 178.326 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 117' ' ' PHE . . . . . 0.704 ' CZ ' HD11 ' C' ' 18' ' ' LEU . 8.4 m-30 -105.32 -18.88 13.97 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.585 -179.728 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 118' ' ' GLN . . . . . 0.444 ' NE2' HD11 ' D' ' 93' ' ' LEU . 0.0 OUTLIER -74.71 -33.65 62.46 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.725 0.298 . . . . 0.0 111.39 -179.5 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' D' D ' 119' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -42.45 127.95 3.82 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.711 -179.321 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 120' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -69.0 -46.9 66.84 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.674 179.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 121' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 -55.88 -34.03 65.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.404 179.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 122' ' ' LEU . . . . . 0.873 HD22 ' O ' ' D' ' 116' ' ' VAL . 24.3 tp -56.19 -50.41 71.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.286 179.844 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 123' ' ' HIS . . . . . 0.474 ' HA ' ' CD1' ' D' ' 126' ' ' LEU . 28.9 m170 -51.73 -27.14 11.03 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.176 179.023 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 124' ' ' THR . . . . . 0.599 HG21 HG23 ' C' ' 61' ' ' VAL . 6.2 m -75.7 -35.86 60.18 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.92 179.372 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 125' ' ' LEU . . . . . 0.782 ' O ' HD13 ' C' ' 52' ' ' LEU . 14.9 mt -62.32 -41.48 98.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.796 179.662 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 126' ' ' LEU . . . . . 0.87 ' HB2' ' HB1' ' D' ' 85' ' ' ALA . 1.7 mp -73.38 -40.43 64.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.46 -179.442 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 127' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.42 -53.5 57.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.946 0.403 . . . . 0.0 111.137 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 128' ' ' LEU . . . . . 0.981 HD21 ' CD2' ' A' ' 59' ' ' TYR . 2.4 mt -72.13 -29.09 63.72 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.339 179.622 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 129' ' ' TYR . . . . . 0.49 ' CD2' ' HB3' ' C' ' 48' ' ' LEU . 1.6 t80 -55.37 -52.56 63.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.313 -179.437 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 130' ' ' ASP . . . . . 0.432 ' HB3' ' CD2' ' D' ' 82' ' ' LEU . 2.2 m-20 -76.88 -36.44 56.73 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.832 0.349 . . . . 0.0 111.039 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 131' ' ' LYS . . . . . . . . . . . . . 7.1 mttm -56.57 -43.88 80.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.134 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 132' ' ' ILE . . . . . 0.641 HG12 HD11 ' A' ' 55' ' ' ILE . 5.3 mt -78.86 -39.05 21.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.865 0.364 . . . . 0.0 111.039 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 133' ' ' ASN . . . . . . . . . . . . . 16.6 t30 -63.71 -25.9 68.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.237 -179.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 134' ' ' THR . . . . . . . . . . . . . 74.8 m -81.28 -35.99 30.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.464 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 135' ' ' LYS . . . . . . . . . . . . . 12.1 mttp -92.59 -19.56 21.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.433 -179.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 136' ' ' SER . . . . . . . . . . . . . 5.5 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.314 -179.83 . . . . . . . . 0 0 . 1 stop_ save_